----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 20:19:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 4 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.569593019999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.844218600000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.725894109999999 Atomic positions (fractional): *1 In 0.58029213913954 0.25000000000000 0.39975342865815 114.818 *2 In 0.06550048188628 0.25000000000000 0.60870791400837 114.818 3 In 0.41970786086046 0.75000000000000 0.60024657134185 114.818 4 In 0.91970786086046 0.75000000000000 0.89975342865815 114.818 5 In 0.56550048188628 0.25000000000000 0.89129208599163 114.818 6 In 0.08029213913954 0.25000000000000 0.10024657134185 114.818 7 In 0.93449951811372 0.75000000000000 0.39129208599163 114.818 8 In 0.43449951811372 0.75000000000000 0.10870791400837 114.818 *9 Pb 0.26042864655897 0.75000000000000 0.33562995208836 207.200 10 Pb 0.73957135344103 0.25000000000000 0.66437004791164 207.200 11 Pb 0.76042864655897 0.75000000000000 0.16437004791164 207.200 12 Pb 0.23957135344103 0.25000000000000 0.83562995208836 207.200 *13 S 0.37416295589785 0.25000000000000 0.47172996894899 32.065 *14 S 0.52887749790341 0.75000000000000 0.28236782816573 32.065 *15 S 0.90894201628648 0.75000000000000 0.57505197789853 32.065 16 S 0.87416295589785 0.25000000000000 0.02827003105101 32.065 17 S 0.40894201628648 0.75000000000000 0.92494802210147 32.065 18 S 0.12583704410215 0.75000000000000 0.97172996894899 32.065 *19 S 0.70599799435517 0.75000000000000 0.83570843817581 32.065 20 S 0.29400200564482 0.25000000000000 0.16429156182419 32.065 21 S 0.62583704410215 0.75000000000000 0.52827003105101 32.065 22 S 0.59105798371352 0.25000000000000 0.07505197789853 32.065 23 S 0.20599799435517 0.75000000000000 0.66429156182419 32.065 24 S 0.97112250209659 0.25000000000000 0.78236782816573 32.065 25 S 0.47112250209659 0.25000000000000 0.71763217183427 32.065 26 S 0.02887749790341 0.75000000000000 0.21763217183427 32.065 27 S 0.09105798371352 0.25000000000000 0.42494802210147 32.065 28 S 0.79400200564483 0.25000000000000 0.33570843817581 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.569593019999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.844218600000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.725894109999999 Atomic positions (fractional): *1 In 0.58029213913954 0.25000000000000 0.39975342865815 114.818 > 1 *2 In 0.06550048188628 0.25000000000000 0.60870791400837 114.818 > 2 3 In 0.41970786086046 0.75000000000000 0.60024657134185 114.818 > 3 4 In 0.91970786086046 0.75000000000000 0.89975342865815 114.818 > 4 5 In 0.56550048188628 0.25000000000000 0.89129208599163 114.818 > 5 6 In 0.08029213913954 0.25000000000000 0.10024657134185 114.818 > 6 7 In 0.93449951811372 0.75000000000000 0.39129208599163 114.818 > 7 8 In 0.43449951811372 0.75000000000000 0.10870791400837 114.818 > 8 *9 Pb 0.26042864655897 0.75000000000000 0.33562995208836 207.200 > 9 10 Pb 0.73957135344103 0.25000000000000 0.66437004791164 207.200 > 10 11 Pb 0.76042864655897 0.75000000000000 0.16437004791164 207.200 > 11 12 Pb 0.23957135344103 0.25000000000000 0.83562995208836 207.200 > 12 *13 S 0.37416295589785 0.25000000000000 0.47172996894899 32.065 > 13 *14 S 0.52887749790341 0.75000000000000 0.28236782816573 32.065 > 14 *15 S 0.90894201628648 0.75000000000000 0.57505197789853 32.065 > 15 16 S 0.87416295589785 0.25000000000000 0.02827003105101 32.065 > 16 17 S 0.40894201628648 0.75000000000000 0.92494802210147 32.065 > 17 18 S 0.12583704410215 0.75000000000000 0.97172996894899 32.065 > 18 *19 S 0.70599799435517 0.75000000000000 0.83570843817581 32.065 > 19 20 S 0.29400200564482 0.25000000000000 0.16429156182419 32.065 > 20 21 S 0.62583704410215 0.75000000000000 0.52827003105101 32.065 > 21 22 S 0.59105798371352 0.25000000000000 0.07505197789853 32.065 > 22 23 S 0.20599799435517 0.75000000000000 0.66429156182419 32.065 > 23 24 S 0.97112250209659 0.25000000000000 0.78236782816573 32.065 > 24 25 S 0.47112250209659 0.25000000000000 0.71763217183427 32.065 > 25 26 S 0.02887749790341 0.75000000000000 0.21763217183427 32.065 > 26 27 S 0.09105798371352 0.25000000000000 0.42494802210147 32.065 > 27 28 S 0.79400200564483 0.25000000000000 0.33570843817581 32.065 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.569593019999999 0.000000000000000 0.000000000000000 b 0.000000000000000 15.376874400000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.725894109999999 Atomic positions (fractional): *1 In 0.58029213913954 0.06250000000000 0.39975342865815 114.818 > 1 2 In 0.58029213913954 0.31250000000000 0.39975342865815 114.818 > 1 3 In 0.58029213913954 0.56250000000000 0.39975342865815 114.818 > 1 4 In 0.58029213913954 0.81250000000000 0.39975342865815 114.818 > 1 *5 In 0.06550048188628 0.06250000000000 0.60870791400837 114.818 > 2 6 In 0.06550048188628 0.31250000000000 0.60870791400837 114.818 > 2 7 In 0.06550048188628 0.56250000000000 0.60870791400837 114.818 > 2 8 In 0.06550048188628 0.81250000000000 0.60870791400837 114.818 > 2 9 In 0.41970786086046 0.18750000000000 0.60024657134185 114.818 > 3 10 In 0.41970786086046 0.43750000000000 0.60024657134185 114.818 > 3 11 In 0.41970786086046 0.68750000000000 0.60024657134185 114.818 > 3 12 In 0.41970786086046 0.93750000000000 0.60024657134185 114.818 > 3 13 In 0.91970786086046 0.18750000000000 0.89975342865815 114.818 > 4 14 In 0.91970786086046 0.43750000000000 0.89975342865815 114.818 > 4 15 In 0.91970786086046 0.68750000000000 0.89975342865815 114.818 > 4 16 In 0.91970786086046 0.93750000000000 0.89975342865815 114.818 > 4 17 In 0.56550048188628 0.06250000000000 0.89129208599163 114.818 > 5 18 In 0.56550048188628 0.31250000000000 0.89129208599163 114.818 > 5 19 In 0.56550048188628 0.56250000000000 0.89129208599163 114.818 > 5 20 In 0.56550048188628 0.81250000000000 0.89129208599163 114.818 > 5 21 In 0.08029213913954 0.06250000000000 0.10024657134185 114.818 > 6 22 In 0.08029213913954 0.31250000000000 0.10024657134185 114.818 > 6 23 In 0.08029213913954 0.56250000000000 0.10024657134185 114.818 > 6 24 In 0.08029213913954 0.81250000000000 0.10024657134185 114.818 > 6 25 In 0.93449951811372 0.18750000000000 0.39129208599163 114.818 > 7 26 In 0.93449951811372 0.43750000000000 0.39129208599163 114.818 > 7 27 In 0.93449951811372 0.68750000000000 0.39129208599163 114.818 > 7 28 In 0.93449951811372 0.93750000000000 0.39129208599163 114.818 > 7 29 In 0.43449951811372 0.18750000000000 0.10870791400837 114.818 > 8 30 In 0.43449951811372 0.43750000000000 0.10870791400837 114.818 > 8 31 In 0.43449951811372 0.68750000000000 0.10870791400837 114.818 > 8 32 In 0.43449951811372 0.93750000000000 0.10870791400837 114.818 > 8 *33 Pb 0.26042864655897 0.18750000000000 0.33562995208836 207.200 > 9 34 Pb 0.26042864655897 0.43750000000000 0.33562995208836 207.200 > 9 35 Pb 0.26042864655897 0.68750000000000 0.33562995208836 207.200 > 9 36 Pb 0.26042864655897 0.93750000000000 0.33562995208836 207.200 > 9 37 Pb 0.73957135344103 0.06250000000000 0.66437004791164 207.200 > 10 38 Pb 0.73957135344103 0.31250000000000 0.66437004791164 207.200 > 10 39 Pb 0.73957135344103 0.56250000000000 0.66437004791164 207.200 > 10 40 Pb 0.73957135344103 0.81250000000000 0.66437004791164 207.200 > 10 41 Pb 0.76042864655897 0.18750000000000 0.16437004791164 207.200 > 11 42 Pb 0.76042864655897 0.43750000000000 0.16437004791164 207.200 > 11 43 Pb 0.76042864655897 0.68750000000000 0.16437004791164 207.200 > 11 44 Pb 0.76042864655897 0.93750000000000 0.16437004791164 207.200 > 11 45 Pb 0.23957135344103 0.06250000000000 0.83562995208836 207.200 > 12 46 Pb 0.23957135344103 0.31250000000000 0.83562995208836 207.200 > 12 47 Pb 0.23957135344103 0.56250000000000 0.83562995208836 207.200 > 12 48 Pb 0.23957135344103 0.81250000000000 0.83562995208836 207.200 > 12 *49 S 0.37416295589785 0.06250000000000 0.47172996894899 32.065 > 13 50 S 0.37416295589785 0.31250000000000 0.47172996894899 32.065 > 13 51 S 0.37416295589785 0.56250000000000 0.47172996894899 32.065 > 13 52 S 0.37416295589785 0.81250000000000 0.47172996894899 32.065 > 13 *53 S 0.52887749790341 0.18750000000000 0.28236782816573 32.065 > 14 54 S 0.52887749790341 0.43750000000000 0.28236782816573 32.065 > 14 55 S 0.52887749790341 0.68750000000000 0.28236782816573 32.065 > 14 56 S 0.52887749790341 0.93750000000000 0.28236782816573 32.065 > 14 *57 S 0.90894201628648 0.18750000000000 0.57505197789853 32.065 > 15 58 S 0.90894201628648 0.43750000000000 0.57505197789853 32.065 > 15 59 S 0.90894201628648 0.68750000000000 0.57505197789853 32.065 > 15 60 S 0.90894201628648 0.93750000000000 0.57505197789853 32.065 > 15 61 S 0.87416295589785 0.06250000000000 0.02827003105101 32.065 > 16 62 S 0.87416295589785 0.31250000000000 0.02827003105101 32.065 > 16 63 S 0.87416295589785 0.56250000000000 0.02827003105101 32.065 > 16 64 S 0.87416295589785 0.81250000000000 0.02827003105101 32.065 > 16 65 S 0.40894201628648 0.18750000000000 0.92494802210147 32.065 > 17 66 S 0.40894201628648 0.43750000000000 0.92494802210147 32.065 > 17 67 S 0.40894201628648 0.68750000000000 0.92494802210147 32.065 > 17 68 S 0.40894201628648 0.93750000000000 0.92494802210147 32.065 > 17 69 S 0.12583704410215 0.18750000000000 0.97172996894899 32.065 > 18 70 S 0.12583704410215 0.43750000000000 0.97172996894899 32.065 > 18 71 S 0.12583704410215 0.68750000000000 0.97172996894899 32.065 > 18 72 S 0.12583704410215 0.93750000000000 0.97172996894899 32.065 > 18 *73 S 0.70599799435517 0.18750000000000 0.83570843817581 32.065 > 19 74 S 0.70599799435517 0.43750000000000 0.83570843817581 32.065 > 19 75 S 0.70599799435517 0.68750000000000 0.83570843817581 32.065 > 19 76 S 0.70599799435517 0.93750000000000 0.83570843817581 32.065 > 19 77 S 0.29400200564482 0.06250000000000 0.16429156182419 32.065 > 20 78 S 0.29400200564482 0.31250000000000 0.16429156182419 32.065 > 20 79 S 0.29400200564482 0.56250000000000 0.16429156182419 32.065 > 20 80 S 0.29400200564482 0.81250000000000 0.16429156182419 32.065 > 20 81 S 0.62583704410215 0.18750000000000 0.52827003105101 32.065 > 21 82 S 0.62583704410215 0.43750000000000 0.52827003105101 32.065 > 21 83 S 0.62583704410215 0.68750000000000 0.52827003105101 32.065 > 21 84 S 0.62583704410215 0.93750000000000 0.52827003105101 32.065 > 21 85 S 0.59105798371352 0.06250000000000 0.07505197789853 32.065 > 22 86 S 0.59105798371352 0.31250000000000 0.07505197789853 32.065 > 22 87 S 0.59105798371352 0.56250000000000 0.07505197789853 32.065 > 22 88 S 0.59105798371352 0.81250000000000 0.07505197789853 32.065 > 22 89 S 0.20599799435517 0.18750000000000 0.66429156182419 32.065 > 23 90 S 0.20599799435517 0.43750000000000 0.66429156182419 32.065 > 23 91 S 0.20599799435517 0.68750000000000 0.66429156182419 32.065 > 23 92 S 0.20599799435517 0.93750000000000 0.66429156182419 32.065 > 23 93 S 0.97112250209659 0.06250000000000 0.78236782816573 32.065 > 24 94 S 0.97112250209659 0.31250000000000 0.78236782816573 32.065 > 24 95 S 0.97112250209659 0.56250000000000 0.78236782816573 32.065 > 24 96 S 0.97112250209659 0.81250000000000 0.78236782816573 32.065 > 24 97 S 0.47112250209659 0.06250000000000 0.71763217183427 32.065 > 25 98 S 0.47112250209659 0.31250000000000 0.71763217183427 32.065 > 25 99 S 0.47112250209659 0.56250000000000 0.71763217183427 32.065 > 25 100 S 0.47112250209659 0.81250000000000 0.71763217183427 32.065 > 25 101 S 0.02887749790341 0.18750000000000 0.21763217183427 32.065 > 26 102 S 0.02887749790341 0.43750000000000 0.21763217183427 32.065 > 26 103 S 0.02887749790341 0.68750000000000 0.21763217183427 32.065 > 26 104 S 0.02887749790341 0.93750000000000 0.21763217183427 32.065 > 26 105 S 0.09105798371352 0.06250000000000 0.42494802210147 32.065 > 27 106 S 0.09105798371352 0.31250000000000 0.42494802210147 32.065 > 27 107 S 0.09105798371352 0.56250000000000 0.42494802210147 32.065 > 27 108 S 0.09105798371352 0.81250000000000 0.42494802210147 32.065 > 27 109 S 0.79400200564483 0.06250000000000 0.33570843817581 32.065 > 28 110 S 0.79400200564483 0.31250000000000 0.33570843817581 32.065 > 28 111 S 0.79400200564483 0.56250000000000 0.33570843817581 32.065 > 28 112 S 0.79400200564483 0.81250000000000 0.33570843817581 32.065 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 11.6415797 0.0000000 0.0000000 0.0000000 11.5435043 0.0000000 0.0000000 0.0000000 10.8468378 -------------------------- Born effective charges -------------------------- 1 In 3.6579941 0.0000000 -0.3142062 0.0000000 4.3317952 0.0000000 -0.2197916 0.0000000 4.0717706 2 In 3.7939528 0.0000000 0.0028310 0.0000000 4.2927044 0.0000000 0.5076059 0.0000000 3.9480640 3 In 3.6579941 0.0000000 -0.3142062 0.0000000 4.3317952 0.0000000 -0.2197916 0.0000000 4.0717706 4 In 3.6579941 0.0000000 0.3142062 0.0000000 4.3317952 0.0000000 0.2197916 0.0000000 4.0717706 5 In 3.7939528 0.0000000 -0.0028310 0.0000000 4.2927044 0.0000000 -0.5076059 0.0000000 3.9480640 6 In 3.6579941 0.0000000 0.3142062 0.0000000 4.3317952 0.0000000 0.2197916 0.0000000 4.0717706 7 In 3.7939528 0.0000000 0.0028310 0.0000000 4.2927044 0.0000000 0.5076059 0.0000000 3.9480640 8 In 3.7939528 0.0000000 -0.0028310 0.0000000 4.2927044 0.0000000 -0.5076059 0.0000000 3.9480640 9 Pb 4.8186937 0.0000000 0.0883153 0.0000000 4.3914268 0.0000000 0.1474093 0.0000000 3.8422120 10 Pb 4.8186937 0.0000000 0.0883153 0.0000000 4.3914268 0.0000000 0.1474093 0.0000000 3.8422120 11 Pb 4.8186937 0.0000000 -0.0883153 0.0000000 4.3914268 0.0000000 -0.1474093 0.0000000 3.8422120 12 Pb 4.8186937 0.0000000 -0.0883153 0.0000000 4.3914268 0.0000000 -0.1474093 0.0000000 3.8422120 13 S -2.5198587 0.0000000 -0.6601931 0.0000000 -3.6119055 0.0000000 -0.6445528 0.0000000 -3.3981816 14 S -3.6126914 0.0000000 0.0912913 0.0000000 -2.4117434 0.0000000 0.1998288 0.0000000 -3.1703883 15 S -3.2310929 0.0000000 0.7963124 0.0000000 -3.2869456 0.0000000 0.3535737 0.0000000 -2.7061607 16 S -2.5198587 0.0000000 0.6601931 0.0000000 -3.6119055 0.0000000 0.6445528 0.0000000 -3.3981816 17 S -3.2310929 0.0000000 -0.7963124 0.0000000 -3.2869456 0.0000000 -0.3535737 0.0000000 -2.7061607 18 S -2.5198587 0.0000000 0.6601931 0.0000000 -3.6119055 0.0000000 0.6445528 0.0000000 -3.3981816 19 S -2.9069977 0.0000000 0.3742400 0.0000000 -3.7053319 0.0000000 0.3688713 0.0000000 -2.5873159 20 S -2.9069977 0.0000000 0.3742400 0.0000000 -3.7053319 0.0000000 0.3688713 0.0000000 -2.5873159 21 S -2.5198587 0.0000000 -0.6601931 0.0000000 -3.6119055 0.0000000 -0.6445528 0.0000000 -3.3981816 22 S -3.2310929 0.0000000 -0.7963124 0.0000000 -3.2869456 0.0000000 -0.3535737 0.0000000 -2.7061607 23 S -2.9069977 0.0000000 -0.3742400 0.0000000 -3.7053319 0.0000000 -0.3688713 0.0000000 -2.5873159 24 S -3.6126914 0.0000000 -0.0912913 0.0000000 -2.4117434 0.0000000 -0.1998288 0.0000000 -3.1703883 25 S -3.6126914 0.0000000 0.0912913 0.0000000 -2.4117434 0.0000000 0.1998288 0.0000000 -3.1703883 26 S -3.6126914 0.0000000 -0.0912913 0.0000000 -2.4117434 0.0000000 -0.1998288 0.0000000 -3.1703883 27 S -3.2310929 0.0000000 0.7963124 0.0000000 -3.2869456 0.0000000 0.3535737 0.0000000 -2.7061607 28 S -2.9069977 0.0000000 -0.3742400 0.0000000 -3.7053319 0.0000000 -0.3688713 0.0000000 -2.5873159 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1918 Number of blocks in projector: 1918 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 490 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 294 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 294 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 280 Use standard eigh solver. Tree of FC basis block matrices: - (1918, 1883), data: False |-- (280, 273), data: True |-- (280, 273), data: True |-- (280, 273), data: True |-- (294, 294), data: True |-- (294, 294), data: True |-- (490, 476), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 3.103 Solver_block: 200 / 480 - Time: 3.137 Solver_block: 300 / 480 - Time: 3.127 Solver_block: 400 / 480 - Time: 3.131 Solver_block: 480 / 480 - Time: 2.532 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 15.081 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1918 Number of blocks in projector: 1918 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 490 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 294 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 294 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 280 Use standard eigh solver. Tree of FC basis block matrices: - (1918, 1883), data: False |-- (280, 273), data: True |-- (280, 273), data: True |-- (280, 273), data: True |-- (294, 294), data: True |-- (294, 294), data: True |-- (490, 476), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 20:20:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:20:10]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 4 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.569593019999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.844218600000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.725894109999999 Atomic positions (fractional): 1 In 0.58029213913954 0.25000000000000 0.39975342865815 114.818 2 In 0.06550048188628 0.25000000000000 0.60870791400837 114.818 3 In 0.41970786086046 0.75000000000000 0.60024657134185 114.818 4 In 0.91970786086046 0.75000000000000 0.89975342865815 114.818 5 In 0.56550048188628 0.25000000000000 0.89129208599163 114.818 6 In 0.08029213913954 0.25000000000000 0.10024657134185 114.818 7 In 0.93449951811372 0.75000000000000 0.39129208599163 114.818 8 In 0.43449951811372 0.75000000000000 0.10870791400837 114.818 9 Pb 0.26042864655897 0.75000000000000 0.33562995208836 207.200 10 Pb 0.73957135344103 0.25000000000000 0.66437004791164 207.200 11 Pb 0.76042864655897 0.75000000000000 0.16437004791164 207.200 12 Pb 0.23957135344103 0.25000000000000 0.83562995208836 207.200 13 S 0.37416295589785 0.25000000000000 0.47172996894899 32.065 14 S 0.52887749790341 0.75000000000000 0.28236782816573 32.065 15 S 0.90894201628648 0.75000000000000 0.57505197789853 32.065 16 S 0.87416295589785 0.25000000000000 0.02827003105101 32.065 17 S 0.40894201628648 0.75000000000000 0.92494802210147 32.065 18 S 0.12583704410215 0.75000000000000 0.97172996894899 32.065 19 S 0.70599799435517 0.75000000000000 0.83570843817581 32.065 20 S 0.29400200564482 0.25000000000000 0.16429156182419 32.065 21 S 0.62583704410215 0.75000000000000 0.52827003105101 32.065 22 S 0.59105798371352 0.25000000000000 0.07505197789853 32.065 23 S 0.20599799435517 0.75000000000000 0.66429156182419 32.065 24 S 0.97112250209659 0.25000000000000 0.78236782816573 32.065 25 S 0.47112250209659 0.25000000000000 0.71763217183427 32.065 26 S 0.02887749790341 0.75000000000000 0.21763217183427 32.065 27 S 0.09105798371352 0.25000000000000 0.42494802210147 32.065 28 S 0.79400200564483 0.25000000000000 0.33570843817581 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.569593019999999 0.000000000000000 0.000000000000000 b 0.000000000000000 15.376874400000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.725894109999999 Atomic positions (fractional): 1 In 0.58029213913954 0.06250000000000 0.39975342865815 114.818 > 1 2 In 0.58029213913954 0.31250000000000 0.39975342865815 114.818 > 1 3 In 0.58029213913954 0.56250000000000 0.39975342865815 114.818 > 1 4 In 0.58029213913954 0.81250000000000 0.39975342865815 114.818 > 1 5 In 0.06550048188628 0.06250000000000 0.60870791400837 114.818 > 5 6 In 0.06550048188628 0.31250000000000 0.60870791400837 114.818 > 5 7 In 0.06550048188628 0.56250000000000 0.60870791400837 114.818 > 5 8 In 0.06550048188628 0.81250000000000 0.60870791400837 114.818 > 5 9 In 0.41970786086046 0.18750000000000 0.60024657134185 114.818 > 9 10 In 0.41970786086046 0.43750000000000 0.60024657134185 114.818 > 9 11 In 0.41970786086046 0.68750000000000 0.60024657134185 114.818 > 9 12 In 0.41970786086046 0.93750000000000 0.60024657134185 114.818 > 9 13 In 0.91970786086046 0.18750000000000 0.89975342865815 114.818 > 13 14 In 0.91970786086046 0.43750000000000 0.89975342865815 114.818 > 13 15 In 0.91970786086046 0.68750000000000 0.89975342865815 114.818 > 13 16 In 0.91970786086046 0.93750000000000 0.89975342865815 114.818 > 13 17 In 0.56550048188628 0.06250000000000 0.89129208599163 114.818 > 17 18 In 0.56550048188628 0.31250000000000 0.89129208599163 114.818 > 17 19 In 0.56550048188628 0.56250000000000 0.89129208599163 114.818 > 17 20 In 0.56550048188628 0.81250000000000 0.89129208599163 114.818 > 17 21 In 0.08029213913954 0.06250000000000 0.10024657134185 114.818 > 21 22 In 0.08029213913954 0.31250000000000 0.10024657134185 114.818 > 21 23 In 0.08029213913954 0.56250000000000 0.10024657134185 114.818 > 21 24 In 0.08029213913954 0.81250000000000 0.10024657134185 114.818 > 21 25 In 0.93449951811372 0.18750000000000 0.39129208599163 114.818 > 25 26 In 0.93449951811372 0.43750000000000 0.39129208599163 114.818 > 25 27 In 0.93449951811372 0.68750000000000 0.39129208599163 114.818 > 25 28 In 0.93449951811372 0.93750000000000 0.39129208599163 114.818 > 25 29 In 0.43449951811372 0.18750000000000 0.10870791400837 114.818 > 29 30 In 0.43449951811372 0.43750000000000 0.10870791400837 114.818 > 29 31 In 0.43449951811372 0.68750000000000 0.10870791400837 114.818 > 29 32 In 0.43449951811372 0.93750000000000 0.10870791400837 114.818 > 29 33 Pb 0.26042864655897 0.18750000000000 0.33562995208836 207.200 > 33 34 Pb 0.26042864655897 0.43750000000000 0.33562995208836 207.200 > 33 35 Pb 0.26042864655897 0.68750000000000 0.33562995208836 207.200 > 33 36 Pb 0.26042864655897 0.93750000000000 0.33562995208836 207.200 > 33 37 Pb 0.73957135344103 0.06250000000000 0.66437004791164 207.200 > 37 38 Pb 0.73957135344103 0.31250000000000 0.66437004791164 207.200 > 37 39 Pb 0.73957135344103 0.56250000000000 0.66437004791164 207.200 > 37 40 Pb 0.73957135344103 0.81250000000000 0.66437004791164 207.200 > 37 41 Pb 0.76042864655897 0.18750000000000 0.16437004791164 207.200 > 41 42 Pb 0.76042864655897 0.43750000000000 0.16437004791164 207.200 > 41 43 Pb 0.76042864655897 0.68750000000000 0.16437004791164 207.200 > 41 44 Pb 0.76042864655897 0.93750000000000 0.16437004791164 207.200 > 41 45 Pb 0.23957135344103 0.06250000000000 0.83562995208836 207.200 > 45 46 Pb 0.23957135344103 0.31250000000000 0.83562995208836 207.200 > 45 47 Pb 0.23957135344103 0.56250000000000 0.83562995208836 207.200 > 45 48 Pb 0.23957135344103 0.81250000000000 0.83562995208836 207.200 > 45 49 S 0.37416295589785 0.06250000000000 0.47172996894899 32.065 > 49 50 S 0.37416295589785 0.31250000000000 0.47172996894899 32.065 > 49 51 S 0.37416295589785 0.56250000000000 0.47172996894899 32.065 > 49 52 S 0.37416295589785 0.81250000000000 0.47172996894899 32.065 > 49 53 S 0.52887749790341 0.18750000000000 0.28236782816573 32.065 > 53 54 S 0.52887749790341 0.43750000000000 0.28236782816573 32.065 > 53 55 S 0.52887749790341 0.68750000000000 0.28236782816573 32.065 > 53 56 S 0.52887749790341 0.93750000000000 0.28236782816573 32.065 > 53 57 S 0.90894201628648 0.18750000000000 0.57505197789853 32.065 > 57 58 S 0.90894201628648 0.43750000000000 0.57505197789853 32.065 > 57 59 S 0.90894201628648 0.68750000000000 0.57505197789853 32.065 > 57 60 S 0.90894201628648 0.93750000000000 0.57505197789853 32.065 > 57 61 S 0.87416295589785 0.06250000000000 0.02827003105101 32.065 > 61 62 S 0.87416295589785 0.31250000000000 0.02827003105101 32.065 > 61 63 S 0.87416295589785 0.56250000000000 0.02827003105101 32.065 > 61 64 S 0.87416295589785 0.81250000000000 0.02827003105101 32.065 > 61 65 S 0.40894201628648 0.18750000000000 0.92494802210147 32.065 > 65 66 S 0.40894201628648 0.43750000000000 0.92494802210147 32.065 > 65 67 S 0.40894201628648 0.68750000000000 0.92494802210147 32.065 > 65 68 S 0.40894201628648 0.93750000000000 0.92494802210147 32.065 > 65 69 S 0.12583704410215 0.18750000000000 0.97172996894899 32.065 > 69 70 S 0.12583704410215 0.43750000000000 0.97172996894899 32.065 > 69 71 S 0.12583704410215 0.68750000000000 0.97172996894899 32.065 > 69 72 S 0.12583704410215 0.93750000000000 0.97172996894899 32.065 > 69 73 S 0.70599799435517 0.18750000000000 0.83570843817581 32.065 > 73 74 S 0.70599799435517 0.43750000000000 0.83570843817581 32.065 > 73 75 S 0.70599799435517 0.68750000000000 0.83570843817581 32.065 > 73 76 S 0.70599799435517 0.93750000000000 0.83570843817581 32.065 > 73 77 S 0.29400200564482 0.06250000000000 0.16429156182419 32.065 > 77 78 S 0.29400200564482 0.31250000000000 0.16429156182419 32.065 > 77 79 S 0.29400200564482 0.56250000000000 0.16429156182419 32.065 > 77 80 S 0.29400200564482 0.81250000000000 0.16429156182419 32.065 > 77 81 S 0.62583704410215 0.18750000000000 0.52827003105101 32.065 > 81 82 S 0.62583704410215 0.43750000000000 0.52827003105101 32.065 > 81 83 S 0.62583704410215 0.68750000000000 0.52827003105101 32.065 > 81 84 S 0.62583704410215 0.93750000000000 0.52827003105101 32.065 > 81 85 S 0.59105798371352 0.06250000000000 0.07505197789853 32.065 > 85 86 S 0.59105798371352 0.31250000000000 0.07505197789853 32.065 > 85 87 S 0.59105798371352 0.56250000000000 0.07505197789853 32.065 > 85 88 S 0.59105798371352 0.81250000000000 0.07505197789853 32.065 > 85 89 S 0.20599799435517 0.18750000000000 0.66429156182419 32.065 > 89 90 S 0.20599799435517 0.43750000000000 0.66429156182419 32.065 > 89 91 S 0.20599799435517 0.68750000000000 0.66429156182419 32.065 > 89 92 S 0.20599799435517 0.93750000000000 0.66429156182419 32.065 > 89 93 S 0.97112250209659 0.06250000000000 0.78236782816573 32.065 > 93 94 S 0.97112250209659 0.31250000000000 0.78236782816573 32.065 > 93 95 S 0.97112250209659 0.56250000000000 0.78236782816573 32.065 > 93 96 S 0.97112250209659 0.81250000000000 0.78236782816573 32.065 > 93 97 S 0.47112250209659 0.06250000000000 0.71763217183427 32.065 > 97 98 S 0.47112250209659 0.31250000000000 0.71763217183427 32.065 > 97 99 S 0.47112250209659 0.56250000000000 0.71763217183427 32.065 > 97 100 S 0.47112250209659 0.81250000000000 0.71763217183427 32.065 > 97 101 S 0.02887749790341 0.18750000000000 0.21763217183427 32.065 > 101 102 S 0.02887749790341 0.43750000000000 0.21763217183427 32.065 > 101 103 S 0.02887749790341 0.68750000000000 0.21763217183427 32.065 > 101 104 S 0.02887749790341 0.93750000000000 0.21763217183427 32.065 > 101 105 S 0.09105798371352 0.06250000000000 0.42494802210147 32.065 > 105 106 S 0.09105798371352 0.31250000000000 0.42494802210147 32.065 > 105 107 S 0.09105798371352 0.56250000000000 0.42494802210147 32.065 > 105 108 S 0.09105798371352 0.81250000000000 0.42494802210147 32.065 > 105 109 S 0.79400200564483 0.06250000000000 0.33570843817581 32.065 > 109 110 S 0.79400200564483 0.31250000000000 0.33570843817581 32.065 > 109 111 S 0.79400200564483 0.56250000000000 0.33570843817581 32.065 > 109 112 S 0.79400200564483 0.81250000000000 0.33570843817581 32.065 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 11.6415797 0.0000000 0.0000000 0.0000000 11.5435043 0.0000000 0.0000000 0.0000000 10.8468378 -------------------------- Born effective charges -------------------------- 1 In 3.6579941 0.0000000 -0.3142062 0.0000000 4.3317952 0.0000000 -0.2197916 0.0000000 4.0717706 2 In 3.7939528 0.0000000 0.0028310 0.0000000 4.2927044 0.0000000 0.5076059 0.0000000 3.9480640 3 In 3.6579941 0.0000000 -0.3142062 0.0000000 4.3317952 0.0000000 -0.2197916 0.0000000 4.0717706 4 In 3.6579941 0.0000000 0.3142062 0.0000000 4.3317952 0.0000000 0.2197916 0.0000000 4.0717706 5 In 3.7939528 0.0000000 -0.0028310 0.0000000 4.2927044 0.0000000 -0.5076059 0.0000000 3.9480640 6 In 3.6579941 0.0000000 0.3142062 0.0000000 4.3317952 0.0000000 0.2197916 0.0000000 4.0717706 7 In 3.7939528 0.0000000 0.0028310 0.0000000 4.2927044 0.0000000 0.5076059 0.0000000 3.9480640 8 In 3.7939528 0.0000000 -0.0028310 0.0000000 4.2927044 0.0000000 -0.5076059 0.0000000 3.9480640 9 Pb 4.8186937 0.0000000 0.0883153 0.0000000 4.3914268 0.0000000 0.1474093 0.0000000 3.8422120 10 Pb 4.8186937 0.0000000 0.0883153 0.0000000 4.3914268 0.0000000 0.1474093 0.0000000 3.8422120 11 Pb 4.8186937 0.0000000 -0.0883153 0.0000000 4.3914268 0.0000000 -0.1474093 0.0000000 3.8422120 12 Pb 4.8186937 0.0000000 -0.0883153 0.0000000 4.3914268 0.0000000 -0.1474093 0.0000000 3.8422120 13 S -2.5198587 0.0000000 -0.6601931 0.0000000 -3.6119055 0.0000000 -0.6445528 0.0000000 -3.3981816 14 S -3.6126914 0.0000000 0.0912913 0.0000000 -2.4117434 0.0000000 0.1998288 0.0000000 -3.1703883 15 S -3.2310929 0.0000000 0.7963124 0.0000000 -3.2869456 0.0000000 0.3535737 0.0000000 -2.7061607 16 S -2.5198587 0.0000000 0.6601931 0.0000000 -3.6119055 0.0000000 0.6445528 0.0000000 -3.3981816 17 S -3.2310929 0.0000000 -0.7963124 0.0000000 -3.2869456 0.0000000 -0.3535737 0.0000000 -2.7061607 18 S -2.5198587 0.0000000 0.6601931 0.0000000 -3.6119055 0.0000000 0.6445528 0.0000000 -3.3981816 19 S -2.9069977 0.0000000 0.3742400 0.0000000 -3.7053319 0.0000000 0.3688713 0.0000000 -2.5873159 20 S -2.9069977 0.0000000 0.3742400 0.0000000 -3.7053319 0.0000000 0.3688713 0.0000000 -2.5873159 21 S -2.5198587 0.0000000 -0.6601931 0.0000000 -3.6119055 0.0000000 -0.6445528 0.0000000 -3.3981816 22 S -3.2310929 0.0000000 -0.7963124 0.0000000 -3.2869456 0.0000000 -0.3535737 0.0000000 -2.7061607 23 S -2.9069977 0.0000000 -0.3742400 0.0000000 -3.7053319 0.0000000 -0.3688713 0.0000000 -2.5873159 24 S -3.6126914 0.0000000 -0.0912913 0.0000000 -2.4117434 0.0000000 -0.1998288 0.0000000 -3.1703883 25 S -3.6126914 0.0000000 0.0912913 0.0000000 -2.4117434 0.0000000 0.1998288 0.0000000 -3.1703883 26 S -3.6126914 0.0000000 -0.0912913 0.0000000 -2.4117434 0.0000000 -0.1998288 0.0000000 -3.1703883 27 S -3.2310929 0.0000000 0.7963124 0.0000000 -3.2869456 0.0000000 0.3535737 0.0000000 -2.7061607 28 S -2.9069977 0.0000000 -0.3742400 0.0000000 -3.7053319 0.0000000 -0.3688713 0.0000000 -2.5873159 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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: 0.00000000 (zxz) 0.00000000 (zxz) 0.00000000 (zzx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 20:20:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:20:34]------------------------- 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): [1 4 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.569593019999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.844218600000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.725894109999999 Atomic positions (fractional): 1 In 0.58029213913954 0.25000000000000 0.39975342865815 114.818 2 In 0.06550048188628 0.25000000000000 0.60870791400837 114.818 3 In 0.41970786086046 0.75000000000000 0.60024657134185 114.818 4 In 0.91970786086046 0.75000000000000 0.89975342865815 114.818 5 In 0.56550048188628 0.25000000000000 0.89129208599163 114.818 6 In 0.08029213913954 0.25000000000000 0.10024657134185 114.818 7 In 0.93449951811372 0.75000000000000 0.39129208599163 114.818 8 In 0.43449951811372 0.75000000000000 0.10870791400837 114.818 9 Pb 0.26042864655897 0.75000000000000 0.33562995208836 207.200 10 Pb 0.73957135344103 0.25000000000000 0.66437004791164 207.200 11 Pb 0.76042864655897 0.75000000000000 0.16437004791164 207.200 12 Pb 0.23957135344103 0.25000000000000 0.83562995208836 207.200 13 S 0.37416295589785 0.25000000000000 0.47172996894899 32.065 14 S 0.52887749790341 0.75000000000000 0.28236782816573 32.065 15 S 0.90894201628648 0.75000000000000 0.57505197789853 32.065 16 S 0.87416295589785 0.25000000000000 0.02827003105101 32.065 17 S 0.40894201628648 0.75000000000000 0.92494802210147 32.065 18 S 0.12583704410215 0.75000000000000 0.97172996894899 32.065 19 S 0.70599799435517 0.75000000000000 0.83570843817581 32.065 20 S 0.29400200564482 0.25000000000000 0.16429156182419 32.065 21 S 0.62583704410215 0.75000000000000 0.52827003105101 32.065 22 S 0.59105798371352 0.25000000000000 0.07505197789853 32.065 23 S 0.20599799435517 0.75000000000000 0.66429156182419 32.065 24 S 0.97112250209659 0.25000000000000 0.78236782816573 32.065 25 S 0.47112250209659 0.25000000000000 0.71763217183427 32.065 26 S 0.02887749790341 0.75000000000000 0.21763217183427 32.065 27 S 0.09105798371352 0.25000000000000 0.42494802210147 32.065 28 S 0.79400200564483 0.25000000000000 0.33570843817581 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.569593019999999 0.000000000000000 0.000000000000000 b 0.000000000000000 15.376874400000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.725894109999999 Atomic positions (fractional): 1 In 0.58029213913954 0.06250000000000 0.39975342865815 114.818 > 1 2 In 0.58029213913954 0.31250000000000 0.39975342865815 114.818 > 1 3 In 0.58029213913954 0.56250000000000 0.39975342865815 114.818 > 1 4 In 0.58029213913954 0.81250000000000 0.39975342865815 114.818 > 1 5 In 0.06550048188628 0.06250000000000 0.60870791400837 114.818 > 5 6 In 0.06550048188628 0.31250000000000 0.60870791400837 114.818 > 5 7 In 0.06550048188628 0.56250000000000 0.60870791400837 114.818 > 5 8 In 0.06550048188628 0.81250000000000 0.60870791400837 114.818 > 5 9 In 0.41970786086046 0.18750000000000 0.60024657134185 114.818 > 9 10 In 0.41970786086046 0.43750000000000 0.60024657134185 114.818 > 9 11 In 0.41970786086046 0.68750000000000 0.60024657134185 114.818 > 9 12 In 0.41970786086046 0.93750000000000 0.60024657134185 114.818 > 9 13 In 0.91970786086046 0.18750000000000 0.89975342865815 114.818 > 13 14 In 0.91970786086046 0.43750000000000 0.89975342865815 114.818 > 13 15 In 0.91970786086046 0.68750000000000 0.89975342865815 114.818 > 13 16 In 0.91970786086046 0.93750000000000 0.89975342865815 114.818 > 13 17 In 0.56550048188628 0.06250000000000 0.89129208599163 114.818 > 17 18 In 0.56550048188628 0.31250000000000 0.89129208599163 114.818 > 17 19 In 0.56550048188628 0.56250000000000 0.89129208599163 114.818 > 17 20 In 0.56550048188628 0.81250000000000 0.89129208599163 114.818 > 17 21 In 0.08029213913954 0.06250000000000 0.10024657134185 114.818 > 21 22 In 0.08029213913954 0.31250000000000 0.10024657134185 114.818 > 21 23 In 0.08029213913954 0.56250000000000 0.10024657134185 114.818 > 21 24 In 0.08029213913954 0.81250000000000 0.10024657134185 114.818 > 21 25 In 0.93449951811372 0.18750000000000 0.39129208599163 114.818 > 25 26 In 0.93449951811372 0.43750000000000 0.39129208599163 114.818 > 25 27 In 0.93449951811372 0.68750000000000 0.39129208599163 114.818 > 25 28 In 0.93449951811372 0.93750000000000 0.39129208599163 114.818 > 25 29 In 0.43449951811372 0.18750000000000 0.10870791400837 114.818 > 29 30 In 0.43449951811372 0.43750000000000 0.10870791400837 114.818 > 29 31 In 0.43449951811372 0.68750000000000 0.10870791400837 114.818 > 29 32 In 0.43449951811372 0.93750000000000 0.10870791400837 114.818 > 29 33 Pb 0.26042864655897 0.18750000000000 0.33562995208836 207.200 > 33 34 Pb 0.26042864655897 0.43750000000000 0.33562995208836 207.200 > 33 35 Pb 0.26042864655897 0.68750000000000 0.33562995208836 207.200 > 33 36 Pb 0.26042864655897 0.93750000000000 0.33562995208836 207.200 > 33 37 Pb 0.73957135344103 0.06250000000000 0.66437004791164 207.200 > 37 38 Pb 0.73957135344103 0.31250000000000 0.66437004791164 207.200 > 37 39 Pb 0.73957135344103 0.56250000000000 0.66437004791164 207.200 > 37 40 Pb 0.73957135344103 0.81250000000000 0.66437004791164 207.200 > 37 41 Pb 0.76042864655897 0.18750000000000 0.16437004791164 207.200 > 41 42 Pb 0.76042864655897 0.43750000000000 0.16437004791164 207.200 > 41 43 Pb 0.76042864655897 0.68750000000000 0.16437004791164 207.200 > 41 44 Pb 0.76042864655897 0.93750000000000 0.16437004791164 207.200 > 41 45 Pb 0.23957135344103 0.06250000000000 0.83562995208836 207.200 > 45 46 Pb 0.23957135344103 0.31250000000000 0.83562995208836 207.200 > 45 47 Pb 0.23957135344103 0.56250000000000 0.83562995208836 207.200 > 45 48 Pb 0.23957135344103 0.81250000000000 0.83562995208836 207.200 > 45 49 S 0.37416295589785 0.06250000000000 0.47172996894899 32.065 > 49 50 S 0.37416295589785 0.31250000000000 0.47172996894899 32.065 > 49 51 S 0.37416295589785 0.56250000000000 0.47172996894899 32.065 > 49 52 S 0.37416295589785 0.81250000000000 0.47172996894899 32.065 > 49 53 S 0.52887749790341 0.18750000000000 0.28236782816573 32.065 > 53 54 S 0.52887749790341 0.43750000000000 0.28236782816573 32.065 > 53 55 S 0.52887749790341 0.68750000000000 0.28236782816573 32.065 > 53 56 S 0.52887749790341 0.93750000000000 0.28236782816573 32.065 > 53 57 S 0.90894201628648 0.18750000000000 0.57505197789853 32.065 > 57 58 S 0.90894201628648 0.43750000000000 0.57505197789853 32.065 > 57 59 S 0.90894201628648 0.68750000000000 0.57505197789853 32.065 > 57 60 S 0.90894201628648 0.93750000000000 0.57505197789853 32.065 > 57 61 S 0.87416295589785 0.06250000000000 0.02827003105101 32.065 > 61 62 S 0.87416295589785 0.31250000000000 0.02827003105101 32.065 > 61 63 S 0.87416295589785 0.56250000000000 0.02827003105101 32.065 > 61 64 S 0.87416295589785 0.81250000000000 0.02827003105101 32.065 > 61 65 S 0.40894201628648 0.18750000000000 0.92494802210147 32.065 > 65 66 S 0.40894201628648 0.43750000000000 0.92494802210147 32.065 > 65 67 S 0.40894201628648 0.68750000000000 0.92494802210147 32.065 > 65 68 S 0.40894201628648 0.93750000000000 0.92494802210147 32.065 > 65 69 S 0.12583704410215 0.18750000000000 0.97172996894899 32.065 > 69 70 S 0.12583704410215 0.43750000000000 0.97172996894899 32.065 > 69 71 S 0.12583704410215 0.68750000000000 0.97172996894899 32.065 > 69 72 S 0.12583704410215 0.93750000000000 0.97172996894899 32.065 > 69 73 S 0.70599799435517 0.18750000000000 0.83570843817581 32.065 > 73 74 S 0.70599799435517 0.43750000000000 0.83570843817581 32.065 > 73 75 S 0.70599799435517 0.68750000000000 0.83570843817581 32.065 > 73 76 S 0.70599799435517 0.93750000000000 0.83570843817581 32.065 > 73 77 S 0.29400200564482 0.06250000000000 0.16429156182419 32.065 > 77 78 S 0.29400200564482 0.31250000000000 0.16429156182419 32.065 > 77 79 S 0.29400200564482 0.56250000000000 0.16429156182419 32.065 > 77 80 S 0.29400200564482 0.81250000000000 0.16429156182419 32.065 > 77 81 S 0.62583704410215 0.18750000000000 0.52827003105101 32.065 > 81 82 S 0.62583704410215 0.43750000000000 0.52827003105101 32.065 > 81 83 S 0.62583704410215 0.68750000000000 0.52827003105101 32.065 > 81 84 S 0.62583704410215 0.93750000000000 0.52827003105101 32.065 > 81 85 S 0.59105798371352 0.06250000000000 0.07505197789853 32.065 > 85 86 S 0.59105798371352 0.31250000000000 0.07505197789853 32.065 > 85 87 S 0.59105798371352 0.56250000000000 0.07505197789853 32.065 > 85 88 S 0.59105798371352 0.81250000000000 0.07505197789853 32.065 > 85 89 S 0.20599799435517 0.18750000000000 0.66429156182419 32.065 > 89 90 S 0.20599799435517 0.43750000000000 0.66429156182419 32.065 > 89 91 S 0.20599799435517 0.68750000000000 0.66429156182419 32.065 > 89 92 S 0.20599799435517 0.93750000000000 0.66429156182419 32.065 > 89 93 S 0.97112250209659 0.06250000000000 0.78236782816573 32.065 > 93 94 S 0.97112250209659 0.31250000000000 0.78236782816573 32.065 > 93 95 S 0.97112250209659 0.56250000000000 0.78236782816573 32.065 > 93 96 S 0.97112250209659 0.81250000000000 0.78236782816573 32.065 > 93 97 S 0.47112250209659 0.06250000000000 0.71763217183427 32.065 > 97 98 S 0.47112250209659 0.31250000000000 0.71763217183427 32.065 > 97 99 S 0.47112250209659 0.56250000000000 0.71763217183427 32.065 > 97 100 S 0.47112250209659 0.81250000000000 0.71763217183427 32.065 > 97 101 S 0.02887749790341 0.18750000000000 0.21763217183427 32.065 > 101 102 S 0.02887749790341 0.43750000000000 0.21763217183427 32.065 > 101 103 S 0.02887749790341 0.68750000000000 0.21763217183427 32.065 > 101 104 S 0.02887749790341 0.93750000000000 0.21763217183427 32.065 > 101 105 S 0.09105798371352 0.06250000000000 0.42494802210147 32.065 > 105 106 S 0.09105798371352 0.31250000000000 0.42494802210147 32.065 > 105 107 S 0.09105798371352 0.56250000000000 0.42494802210147 32.065 > 105 108 S 0.09105798371352 0.81250000000000 0.42494802210147 32.065 > 105 109 S 0.79400200564483 0.06250000000000 0.33570843817581 32.065 > 109 110 S 0.79400200564483 0.31250000000000 0.33570843817581 32.065 > 109 111 S 0.79400200564483 0.56250000000000 0.33570843817581 32.065 > 109 112 S 0.79400200564483 0.81250000000000 0.33570843817581 32.065 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 11.6415797 0.0000000 0.0000000 0.0000000 11.5435043 0.0000000 0.0000000 0.0000000 10.8468378 -------------------------- Born effective charges -------------------------- 1 In 3.6579941 0.0000000 -0.3142062 0.0000000 4.3317952 0.0000000 -0.2197916 0.0000000 4.0717706 2 In 3.7939528 0.0000000 0.0028310 0.0000000 4.2927044 0.0000000 0.5076059 0.0000000 3.9480640 3 In 3.6579941 0.0000000 -0.3142062 0.0000000 4.3317952 0.0000000 -0.2197916 0.0000000 4.0717706 4 In 3.6579941 0.0000000 0.3142062 0.0000000 4.3317952 0.0000000 0.2197916 0.0000000 4.0717706 5 In 3.7939528 0.0000000 -0.0028310 0.0000000 4.2927044 0.0000000 -0.5076059 0.0000000 3.9480640 6 In 3.6579941 0.0000000 0.3142062 0.0000000 4.3317952 0.0000000 0.2197916 0.0000000 4.0717706 7 In 3.7939528 0.0000000 0.0028310 0.0000000 4.2927044 0.0000000 0.5076059 0.0000000 3.9480640 8 In 3.7939528 0.0000000 -0.0028310 0.0000000 4.2927044 0.0000000 -0.5076059 0.0000000 3.9480640 9 Pb 4.8186937 0.0000000 0.0883153 0.0000000 4.3914268 0.0000000 0.1474093 0.0000000 3.8422120 10 Pb 4.8186937 0.0000000 0.0883153 0.0000000 4.3914268 0.0000000 0.1474093 0.0000000 3.8422120 11 Pb 4.8186937 0.0000000 -0.0883153 0.0000000 4.3914268 0.0000000 -0.1474093 0.0000000 3.8422120 12 Pb 4.8186937 0.0000000 -0.0883153 0.0000000 4.3914268 0.0000000 -0.1474093 0.0000000 3.8422120 13 S -2.5198587 0.0000000 -0.6601931 0.0000000 -3.6119055 0.0000000 -0.6445528 0.0000000 -3.3981816 14 S -3.6126914 0.0000000 0.0912913 0.0000000 -2.4117434 0.0000000 0.1998288 0.0000000 -3.1703883 15 S -3.2310929 0.0000000 0.7963124 0.0000000 -3.2869456 0.0000000 0.3535737 0.0000000 -2.7061607 16 S -2.5198587 0.0000000 0.6601931 0.0000000 -3.6119055 0.0000000 0.6445528 0.0000000 -3.3981816 17 S -3.2310929 0.0000000 -0.7963124 0.0000000 -3.2869456 0.0000000 -0.3535737 0.0000000 -2.7061607 18 S -2.5198587 0.0000000 0.6601931 0.0000000 -3.6119055 0.0000000 0.6445528 0.0000000 -3.3981816 19 S -2.9069977 0.0000000 0.3742400 0.0000000 -3.7053319 0.0000000 0.3688713 0.0000000 -2.5873159 20 S -2.9069977 0.0000000 0.3742400 0.0000000 -3.7053319 0.0000000 0.3688713 0.0000000 -2.5873159 21 S -2.5198587 0.0000000 -0.6601931 0.0000000 -3.6119055 0.0000000 -0.6445528 0.0000000 -3.3981816 22 S -3.2310929 0.0000000 -0.7963124 0.0000000 -3.2869456 0.0000000 -0.3535737 0.0000000 -2.7061607 23 S -2.9069977 0.0000000 -0.3742400 0.0000000 -3.7053319 0.0000000 -0.3688713 0.0000000 -2.5873159 24 S -3.6126914 0.0000000 -0.0912913 0.0000000 -2.4117434 0.0000000 -0.1998288 0.0000000 -3.1703883 25 S -3.6126914 0.0000000 0.0912913 0.0000000 -2.4117434 0.0000000 0.1998288 0.0000000 -3.1703883 26 S -3.6126914 0.0000000 -0.0912913 0.0000000 -2.4117434 0.0000000 -0.1998288 0.0000000 -3.1703883 27 S -3.2310929 0.0000000 0.7963124 0.0000000 -3.2869456 0.0000000 0.3535737 0.0000000 -2.7061607 28 S -2.9069977 0.0000000 -0.3742400 0.0000000 -3.7053319 0.0000000 -0.3688713 0.0000000 -2.5873159 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zxz) 0.00000000 (zxz) 0.00000000 (zzx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- 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 ... [ 4 13 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.49, Number of G-points: 293, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/63) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.759 ( 0.000 0.000 0.000) 0.000 0.938 ( 0.000 0.000 0.000) 0.000 0.941 ( 0.000 0.000 0.000) 0.000 0.959 ( 0.000 0.000 0.000) 0.000 1.010 ( 0.000 0.000 0.000) 0.000 1.198 ( 0.000 0.000 0.000) 0.000 1.232 ( 0.000 0.000 0.000) 0.000 1.312 ( 0.000 0.000 0.000) 0.000 1.355 ( 0.000 0.000 0.000) 0.000 1.518 ( 0.000 0.000 0.000) 0.000 1.621 ( 0.000 0.000 0.000) 0.000 1.730 ( 0.000 0.000 0.000) 0.000 1.767 ( 0.000 0.000 0.000) 0.000 1.771 ( 0.000 0.000 0.000) 0.000 1.791 ( 0.000 0.000 0.000) 0.000 1.866 ( 0.000 0.000 0.000) 0.000 1.891 ( 0.000 0.000 0.000) 0.000 1.896 ( 0.000 0.000 0.000) 0.000 1.932 ( 0.000 0.000 0.000) 0.000 2.097 ( 0.000 0.000 0.000) 0.000 2.174 ( 0.000 0.000 0.000) 0.000 2.355 ( 0.000 0.000 0.000) 0.000 2.641 ( 0.000 0.000 0.000) 0.000 2.869 ( 0.000 0.000 0.000) 0.000 3.060 ( 0.000 0.000 0.000) 0.000 3.125 ( 0.000 0.000 0.000) 0.000 3.255 ( 0.000 0.000 0.000) 0.000 3.295 ( 0.000 0.000 0.000) 0.000 3.309 ( 0.000 0.000 0.000) 0.000 3.558 ( 0.000 0.000 0.000) 0.000 3.723 ( 0.000 0.000 0.000) 0.000 3.825 ( 0.000 0.000 0.000) 0.000 3.876 ( 0.000 0.000 0.000) 0.000 3.986 ( 0.000 0.000 0.000) 0.000 4.176 ( 0.000 0.000 0.000) 0.000 4.196 ( 0.000 0.000 0.000) 0.000 4.271 ( 0.000 0.000 0.000) 0.000 4.393 ( 0.000 0.000 0.000) 0.000 4.413 ( 0.000 0.000 0.000) 0.000 4.853 ( 0.000 0.000 0.000) 0.000 5.006 ( 0.000 0.000 0.000) 0.000 5.030 ( 0.000 0.000 0.000) 0.000 5.068 ( 0.000 0.000 0.000) 0.000 5.184 ( 0.000 0.000 0.000) 0.000 5.259 ( 0.000 0.000 0.000) 0.000 5.593 ( 0.000 0.000 0.000) 0.000 5.780 ( 0.000 0.000 0.000) 0.000 5.804 ( 0.000 0.000 0.000) 0.000 5.810 ( 0.000 0.000 0.000) 0.000 6.062 ( 0.000 0.000 0.000) 0.000 6.077 ( 0.000 0.000 0.000) 0.000 6.116 ( 0.000 0.000 0.000) 0.000 6.187 ( 0.000 0.000 0.000) 0.000 6.220 ( 0.000 0.000 0.000) 0.000 6.287 ( 0.000 0.000 0.000) 0.000 6.531 ( 0.000 0.000 0.000) 0.000 6.682 ( 0.000 0.000 0.000) 0.000 6.686 ( 0.000 0.000 0.000) 0.000 6.793 ( 0.000 0.000 0.000) 0.000 6.823 ( 0.000 0.000 0.000) 0.000 7.046 ( 0.000 0.000 0.000) 0.000 7.156 ( 0.000 0.000 0.000) 0.000 7.171 ( 0.000 0.000 0.000) 0.000 7.258 ( 0.000 0.000 0.000) 0.000 7.305 ( 0.000 0.000 0.000) 0.000 7.496 ( 0.000 0.000 0.000) 0.000 7.505 ( 0.000 0.000 0.000) 0.000 7.574 ( 0.000 0.000 0.000) 0.000 7.858 ( 0.000 0.000 0.000) 0.000 7.913 ( 0.000 0.000 0.000) 0.000 8.188 ( 0.000 0.000 0.000) 0.000 8.464 ( 0.000 0.000 0.000) 0.000 8.514 ( 0.000 0.000 0.000) 0.000 8.573 ( 0.000 0.000 0.000) 0.000 8.712 ( 0.000 0.000 0.000) 0.000 8.941 ( 0.000 0.000 0.000) 0.000 8.981 ( 0.000 0.000 0.000) 0.000 9.291 ( 0.000 0.000 0.000) 0.000 9.415 ( 0.000 0.000 0.000) 0.000 9.591 ( 0.000 0.000 0.000) 0.000 9.666 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/63) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.425 ( 19.051 0.000 0.000) 19.051 0.448 ( 19.478 0.000 0.000) 19.478 0.868 ( 26.256 0.000 0.000) 26.256 0.922 ( -2.892 0.000 0.000) 2.892 0.942 ( 0.293 0.000 0.000) 0.293 0.977 ( 23.277 0.000 0.000) 23.277 1.018 ( -0.451 0.000 0.000) 0.451 1.109 ( -8.660 0.000 0.000) 8.660 1.163 ( -2.384 0.000 0.000) 2.384 1.318 ( 0.540 0.000 0.000) 0.540 1.423 ( 5.890 0.000 0.000) 5.890 1.495 ( -8.848 0.000 0.000) 8.848 1.515 ( -1.338 0.000 0.000) 1.338 1.558 ( -2.591 0.000 0.000) 2.591 1.642 ( -4.859 0.000 0.000) 4.859 1.746 ( -1.042 0.000 0.000) 1.042 1.776 ( -1.249 0.000 0.000) 1.249 1.893 ( 5.250 0.000 0.000) 5.250 1.949 ( 2.997 0.000 0.000) 2.997 1.952 ( 3.764 0.000 0.000) 3.764 1.984 ( 2.964 0.000 0.000) 2.964 2.099 ( 0.264 0.000 0.000) 0.264 2.155 ( -1.708 0.000 0.000) 1.708 2.332 ( -4.290 0.000 0.000) 4.290 2.453 ( 0.181 0.000 0.000) 0.181 2.611 ( -14.160 0.000 0.000) 14.160 2.746 ( 4.878 0.000 0.000) 4.878 3.118 ( -3.552 0.000 0.000) 3.552 3.177 ( 8.532 0.000 0.000) 8.532 3.280 ( 2.060 0.000 0.000) 2.060 3.334 ( 2.921 0.000 0.000) 2.921 3.550 ( -1.969 0.000 0.000) 1.969 3.700 ( -3.113 0.000 0.000) 3.113 3.705 ( -8.005 0.000 0.000) 8.005 3.893 ( 0.302 0.000 0.000) 0.302 3.901 ( -4.434 0.000 0.000) 4.434 4.230 ( 2.955 0.000 0.000) 2.955 4.232 ( 3.800 0.000 0.000) 3.800 4.298 ( 2.411 0.000 0.000) 2.411 4.363 ( -2.397 0.000 0.000) 2.397 4.383 ( -2.647 0.000 0.000) 2.647 4.409 ( -0.712 0.000 0.000) 0.712 4.848 ( -0.279 0.000 0.000) 0.279 4.903 ( -3.762 0.000 0.000) 3.762 5.084 ( 0.771 0.000 0.000) 0.771 5.131 ( -4.214 0.000 0.000) 4.214 5.190 ( 8.784 0.000 0.000) 8.784 5.439 ( 8.392 0.000 0.000) 8.392 5.539 ( -5.127 0.000 0.000) 5.127 5.744 ( -5.372 0.000 0.000) 5.372 5.783 ( 0.481 0.000 0.000) 0.481 5.803 ( -0.127 0.000 0.000) 0.127 6.081 ( 1.686 0.000 0.000) 1.686 6.091 ( -0.709 0.000 0.000) 0.709 6.161 ( -2.183 0.000 0.000) 2.183 6.189 ( -2.559 0.000 0.000) 2.559 6.374 ( 6.292 0.000 0.000) 6.292 6.508 ( -1.498 0.000 0.000) 1.498 6.597 ( -5.435 0.000 0.000) 5.435 6.637 ( -4.293 0.000 0.000) 4.293 6.820 ( 5.790 0.000 0.000) 5.790 6.865 ( 5.662 0.000 0.000) 5.662 6.917 ( 3.948 0.000 0.000) 3.948 7.063 ( 0.318 0.000 0.000) 0.318 7.271 ( 1.006 0.000 0.000) 1.006 7.303 ( -0.251 0.000 0.000) 0.251 7.329 ( 12.086 0.000 0.000) 12.086 7.498 ( 0.177 0.000 0.000) 0.177 7.504 ( -6.262 0.000 0.000) 6.262 7.504 ( -0.054 0.000 0.000) 0.054 7.520 ( -4.645 0.000 0.000) 4.645 7.826 ( -6.544 0.000 0.000) 6.544 8.171 ( -0.420 0.000 0.000) 0.420 8.368 ( -5.571 0.000 0.000) 5.571 8.472 ( 0.348 0.000 0.000) 0.348 8.538 ( -2.055 0.000 0.000) 2.055 8.593 ( 5.097 0.000 0.000) 5.097 8.739 ( -0.561 0.000 0.000) 0.561 8.940 ( 0.086 0.000 0.000) 0.086 8.972 ( -0.749 0.000 0.000) 0.749 9.319 ( 2.218 0.000 0.000) 2.218 9.408 ( -1.336 0.000 0.000) 1.336 9.614 ( 1.738 0.000 0.000) 1.738 9.665 ( -0.230 0.000 0.000) 0.230 ======================= Grid point 2 (3/63) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( -11.023 0.000 0.000) 11.023 0.795 ( 11.023 0.000 0.000) 11.023 0.810 ( -16.248 0.000 0.000) 16.248 0.810 ( 16.248 0.000 0.000) 16.248 0.970 ( -2.647 0.000 0.000) 2.647 0.970 ( 2.647 0.000 0.000) 2.647 1.101 ( -4.503 0.000 0.000) 4.503 1.101 ( 4.503 0.000 0.000) 4.503 1.349 ( -3.408 0.000 0.000) 3.408 1.349 ( 3.408 0.000 0.000) 3.408 1.435 ( -6.695 0.000 0.000) 6.695 1.435 ( 6.695 0.000 0.000) 6.695 1.534 ( -5.493 0.000 0.000) 5.493 1.534 ( 5.493 0.000 0.000) 5.493 1.747 ( -1.043 0.000 0.000) 1.043 1.747 ( 1.043 0.000 0.000) 1.043 1.869 ( -23.380 0.000 0.000) 23.380 1.869 ( 23.380 0.000 0.000) 23.380 1.989 ( -8.541 0.000 0.000) 8.541 1.989 ( 8.541 0.000 0.000) 8.541 2.012 ( -0.923 0.000 0.000) 0.923 2.012 ( 0.923 0.000 0.000) 0.923 2.115 ( -1.461 0.000 0.000) 1.461 2.115 ( 1.461 0.000 0.000) 1.461 2.459 ( -0.613 0.000 0.000) 0.613 2.459 ( 0.613 0.000 0.000) 0.613 2.958 ( -10.529 0.000 0.000) 10.529 2.958 ( 10.529 0.000 0.000) 10.529 3.319 ( -0.757 0.000 0.000) 0.757 3.319 ( 0.757 0.000 0.000) 0.757 3.445 ( -6.820 0.000 0.000) 6.820 3.445 ( 6.820 0.000 0.000) 6.820 3.604 ( -1.843 0.000 0.000) 1.843 3.604 ( 1.843 0.000 0.000) 1.843 3.879 ( -1.073 0.000 0.000) 1.073 3.879 ( 1.073 0.000 0.000) 1.073 4.304 ( -2.871 0.000 0.000) 2.871 4.304 ( 2.871 0.000 0.000) 2.871 4.309 ( -3.939 0.000 0.000) 3.939 4.309 ( 3.939 0.000 0.000) 3.939 4.367 ( -3.204 0.000 0.000) 3.204 4.367 ( 3.204 0.000 0.000) 3.204 4.852 ( -1.032 0.000 0.000) 1.032 4.852 ( 1.032 0.000 0.000) 1.032 5.088 ( -0.165 0.000 0.000) 0.165 5.088 ( 0.165 0.000 0.000) 0.165 5.384 ( -8.662 0.000 0.000) 8.662 5.384 ( 8.662 0.000 0.000) 8.662 5.607 ( -7.043 0.000 0.000) 7.043 5.607 ( 7.043 0.000 0.000) 7.043 5.797 ( -0.539 0.000 0.000) 0.539 5.797 ( 0.539 0.000 0.000) 0.539 6.109 ( -2.112 0.000 0.000) 2.112 6.109 ( 2.112 0.000 0.000) 2.112 6.129 ( -2.644 0.000 0.000) 2.644 6.129 ( 2.644 0.000 0.000) 2.644 6.508 ( -2.114 0.000 0.000) 2.114 6.508 ( 2.114 0.000 0.000) 2.114 6.516 ( -6.454 0.000 0.000) 6.454 6.516 ( 6.454 0.000 0.000) 6.454 6.941 ( -1.241 0.000 0.000) 1.241 6.941 ( 1.241 0.000 0.000) 1.241 7.008 ( -5.217 0.000 0.000) 5.217 7.008 ( 5.217 0.000 0.000) 5.217 7.292 ( -0.791 0.000 0.000) 0.791 7.292 ( 0.791 0.000 0.000) 0.791 7.416 ( -1.076 0.000 0.000) 1.076 7.416 ( 1.076 0.000 0.000) 1.076 7.502 ( -0.167 0.000 0.000) 0.167 7.502 ( 0.167 0.000 0.000) 0.167 7.624 ( -12.200 0.000 0.000) 12.200 7.624 ( 12.200 0.000 0.000) 12.200 8.231 ( -5.831 0.000 0.000) 5.831 8.231 ( 5.831 0.000 0.000) 5.831 8.492 ( -1.647 0.000 0.000) 1.647 8.492 ( 1.647 0.000 0.000) 1.647 8.697 ( -3.624 0.000 0.000) 3.624 8.697 ( 3.624 0.000 0.000) 3.624 8.952 ( -0.951 0.000 0.000) 0.951 8.952 ( 0.951 0.000 0.000) 0.951 9.369 ( -2.205 0.000 0.000) 2.205 9.369 ( 2.205 0.000 0.000) 2.205 9.649 ( -1.269 0.000 0.000) 1.269 9.649 ( 1.269 0.000 0.000) 1.269 ======================= Grid point 5 (4/63) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.393 ( 0.000 14.293 0.000) 14.293 0.494 ( 0.000 23.264 0.000) 23.264 0.725 ( 0.000 -2.859 0.000) 2.859 0.864 ( 0.000 40.684 0.000) 40.684 0.911 ( 0.000 4.877 0.000) 4.877 1.090 ( 0.000 11.147 0.000) 11.147 1.117 ( 0.000 9.604 0.000) 9.604 1.164 ( 0.000 14.560 0.000) 14.560 1.185 ( 0.000 -0.626 0.000) 0.626 1.249 ( 0.000 2.331 0.000) 2.331 1.353 ( 0.000 0.703 0.000) 0.703 1.481 ( 0.000 -2.026 0.000) 2.026 1.585 ( 0.000 -6.705 0.000) 6.705 1.746 ( 0.000 3.384 0.000) 3.384 1.768 ( 0.000 2.684 0.000) 2.684 1.780 ( 0.000 -3.330 0.000) 3.330 1.784 ( 0.000 12.272 0.000) 12.272 1.802 ( 0.000 -1.101 0.000) 1.101 1.929 ( 0.000 6.626 0.000) 6.626 1.930 ( 0.000 11.617 0.000) 11.617 2.001 ( 0.000 -0.244 0.000) 0.244 2.105 ( 0.000 11.041 0.000) 11.041 2.218 ( 0.000 11.640 0.000) 11.640 2.234 ( 0.000 10.427 0.000) 10.427 2.519 ( 0.000 12.309 0.000) 12.309 2.705 ( 0.000 5.995 0.000) 5.995 2.873 ( 0.000 1.651 0.000) 1.651 3.048 ( 0.000 -1.039 0.000) 1.039 3.149 ( 0.000 2.843 0.000) 2.843 3.258 ( 0.000 0.627 0.000) 0.627 3.268 ( 0.000 -1.970 0.000) 1.970 3.305 ( 0.000 0.213 0.000) 0.213 3.542 ( 0.000 -1.144 0.000) 1.144 3.653 ( 0.000 -5.886 0.000) 5.886 3.758 ( 0.000 -6.506 0.000) 6.506 3.798 ( 0.000 -7.368 0.000) 7.368 3.934 ( 0.000 -2.937 0.000) 2.937 4.100 ( 0.000 -5.953 0.000) 5.953 4.170 ( 0.000 -7.919 0.000) 7.919 4.330 ( 0.000 -5.903 0.000) 5.903 4.383 ( 0.000 13.698 0.000) 13.698 4.780 ( 0.000 12.977 0.000) 12.977 5.042 ( 0.000 -0.163 0.000) 0.163 5.067 ( 0.000 4.303 0.000) 4.303 5.118 ( 0.000 -5.139 0.000) 5.139 5.197 ( 0.000 11.883 0.000) 11.883 5.254 ( 0.000 -0.361 0.000) 0.361 5.636 ( 0.000 2.631 0.000) 2.631 5.856 ( 0.000 3.454 0.000) 3.454 5.863 ( 0.000 4.540 0.000) 4.540 5.874 ( 0.000 7.898 0.000) 7.898 5.926 ( 0.000 10.235 0.000) 10.235 6.129 ( 0.000 5.298 0.000) 5.298 6.134 ( 0.000 7.987 0.000) 7.987 6.136 ( 0.000 -3.232 0.000) 3.232 6.230 ( 0.000 0.642 0.000) 0.642 6.283 ( 0.000 0.269 0.000) 0.269 6.424 ( 0.000 -6.614 0.000) 6.614 6.629 ( 0.000 -3.606 0.000) 3.606 6.697 ( 0.000 0.623 0.000) 0.623 6.844 ( 0.000 4.394 0.000) 4.394 6.897 ( 0.000 6.388 0.000) 6.388 7.017 ( 0.000 -2.640 0.000) 2.640 7.142 ( 0.000 6.434 0.000) 6.434 7.156 ( 0.000 0.775 0.000) 0.775 7.186 ( 0.000 5.306 0.000) 5.306 7.428 ( 0.000 12.860 0.000) 12.860 7.435 ( 0.000 -5.210 0.000) 5.210 7.540 ( 0.000 3.951 0.000) 3.951 7.615 ( 0.000 3.032 0.000) 3.032 7.899 ( 0.000 4.016 0.000) 4.016 7.921 ( 0.000 0.772 0.000) 0.772 8.184 ( 0.000 -0.764 0.000) 0.764 8.452 ( 0.000 -0.980 0.000) 0.980 8.520 ( 0.000 0.933 0.000) 0.933 8.544 ( 0.000 2.929 0.000) 2.929 8.554 ( 0.000 -1.322 0.000) 1.322 8.676 ( 0.000 -3.188 0.000) 3.188 8.921 ( 0.000 -1.941 0.000) 1.941 8.964 ( 0.000 -1.665 0.000) 1.665 9.273 ( 0.000 -1.687 0.000) 1.687 9.397 ( 0.000 -1.793 0.000) 1.793 9.559 ( 0.000 -3.096 0.000) 3.096 9.634 ( 0.000 -3.046 0.000) 3.046 ======================= Grid point 6 (5/63) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( 10.446 15.947 0.000) 19.064 0.708 ( 15.801 10.902 0.000) 19.197 0.846 ( 7.590 0.406 0.000) 7.601 1.034 ( -3.273 6.017 0.000) 6.849 1.056 ( -2.575 1.618 0.000) 3.041 1.102 ( -2.444 9.224 0.000) 9.542 1.160 ( 21.684 21.083 0.000) 30.244 1.200 ( 0.490 13.564 0.000) 13.573 1.213 ( 1.671 6.479 0.000) 6.691 1.380 ( 6.486 0.995 0.000) 6.562 1.445 ( 6.762 4.510 0.000) 8.128 1.463 ( -2.203 -1.581 0.000) 2.712 1.534 ( -3.067 -5.690 0.000) 6.464 1.618 ( -2.866 8.396 0.000) 8.872 1.675 ( -6.122 11.467 0.000) 12.999 1.835 ( 0.726 0.747 0.000) 1.041 1.869 ( 5.494 -1.693 0.000) 5.749 1.873 ( 3.354 0.408 0.000) 3.379 1.925 ( -0.221 4.853 0.000) 4.858 1.950 ( 4.983 5.688 0.000) 7.562 2.011 ( -0.268 0.095 0.000) 0.285 2.215 ( 0.048 11.189 0.000) 11.189 2.241 ( 0.247 10.592 0.000) 10.595 2.378 ( 10.586 -0.425 0.000) 10.595 2.477 ( -6.972 10.623 0.000) 12.706 2.650 ( -11.272 4.657 0.000) 12.196 2.788 ( 3.620 4.444 0.000) 5.732 3.116 ( -2.087 0.645 0.000) 2.184 3.179 ( 8.020 0.323 0.000) 8.026 3.267 ( 1.153 -0.792 0.000) 1.399 3.314 ( 3.216 -0.886 0.000) 3.336 3.525 ( -2.349 -1.933 0.000) 3.042 3.552 ( 12.678 -18.024 0.000) 22.036 3.630 ( -3.003 -5.840 0.000) 6.567 3.636 ( -3.152 -8.257 0.000) 8.838 3.859 ( 2.637 -5.673 0.000) 6.256 3.880 ( -3.353 -1.506 0.000) 3.675 4.043 ( -4.024 -10.245 0.000) 11.007 4.225 ( 3.277 -6.540 0.000) 7.315 4.311 ( -1.361 -6.279 0.000) 6.424 4.436 ( 4.573 12.724 0.000) 13.521 4.710 ( -5.754 11.989 0.000) 13.298 4.984 ( -1.132 4.042 0.000) 4.198 5.099 ( -2.277 -1.917 0.000) 2.977 5.157 ( 4.341 5.991 0.000) 7.398 5.288 ( 7.210 9.065 0.000) 11.583 5.325 ( 4.516 3.255 0.000) 5.567 5.493 ( -12.519 12.078 0.000) 17.395 5.621 ( -6.430 8.802 0.000) 10.900 5.794 ( -8.124 7.256 0.000) 10.893 5.877 ( -1.417 3.608 0.000) 3.877 5.883 ( -0.177 6.987 0.000) 6.989 6.082 ( 0.162 1.684 0.000) 1.691 6.187 ( -3.065 4.010 0.000) 5.047 6.193 ( 1.288 1.722 0.000) 2.150 6.201 ( 1.385 2.581 0.000) 2.929 6.368 ( 6.433 0.055 0.000) 6.433 6.448 ( 1.417 -2.551 0.000) 2.918 6.570 ( -5.062 -2.791 0.000) 5.780 6.632 ( -4.754 -0.892 0.000) 4.837 6.889 ( 3.097 3.806 0.000) 4.906 6.935 ( 2.268 5.911 0.000) 6.331 6.978 ( -1.290 9.769 0.000) 9.854 7.038 ( 1.111 -2.221 0.000) 2.483 7.222 ( 1.553 -0.125 0.000) 1.558 7.367 ( 11.439 1.292 0.000) 11.511 7.375 ( -4.297 2.703 0.000) 5.077 7.439 ( 0.245 2.533 0.000) 2.545 7.520 ( -1.655 3.829 0.000) 4.172 7.631 ( 0.971 7.899 0.000) 7.958 7.740 ( -6.812 12.185 0.000) 13.959 7.854 ( -6.044 2.300 0.000) 6.467 8.180 ( 0.246 0.731 0.000) 0.771 8.349 ( -5.477 -1.627 0.000) 5.713 8.496 ( -0.958 1.790 0.000) 2.030 8.521 ( -2.292 -1.914 0.000) 2.986 8.587 ( 3.666 0.377 0.000) 3.685 8.715 ( 0.107 -2.080 0.000) 2.082 8.916 ( -0.016 -2.258 0.000) 2.258 8.955 ( -0.854 -1.729 0.000) 1.928 9.302 ( 2.264 -1.614 0.000) 2.781 9.389 ( -1.081 -1.835 0.000) 2.130 9.581 ( 1.648 -3.186 0.000) 3.587 9.631 ( -0.345 -3.200 0.000) 3.218 ======================= Grid point 7 (6/63) ======================= q-point: (-0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( -9.535 6.717 0.000) 11.663 0.867 ( 9.535 6.717 0.000) 11.663 0.965 ( -3.310 2.396 0.000) 4.086 0.965 ( 3.310 2.396 0.000) 4.086 0.991 ( -7.615 10.734 0.000) 13.161 0.991 ( 7.615 10.734 0.000) 13.161 1.229 ( -0.911 11.413 0.000) 11.449 1.229 ( 0.911 11.413 0.000) 11.449 1.405 ( -1.726 2.017 0.000) 2.655 1.405 ( 1.726 2.017 0.000) 2.655 1.462 ( -4.294 -3.791 0.000) 5.728 1.462 ( 4.294 -3.791 0.000) 5.728 1.556 ( -4.671 12.415 0.000) 13.264 1.556 ( 4.671 12.415 0.000) 13.264 1.871 ( -2.746 5.130 0.000) 5.818 1.871 ( 2.746 5.130 0.000) 5.818 1.894 ( -9.770 3.423 0.000) 10.352 1.894 ( 9.770 3.423 0.000) 10.352 1.942 ( -6.785 2.289 0.000) 7.160 1.942 ( 6.785 2.289 0.000) 7.160 2.101 ( -13.201 6.498 0.000) 14.713 2.101 ( 13.201 6.498 0.000) 14.713 2.233 ( -1.931 10.054 0.000) 10.238 2.233 ( 1.931 10.054 0.000) 10.238 2.511 ( -3.903 5.793 0.000) 6.985 2.511 ( 3.903 5.793 0.000) 6.985 2.972 ( -9.810 2.061 0.000) 10.024 2.972 ( 9.810 2.061 0.000) 10.024 3.303 ( -0.463 -1.591 0.000) 1.657 3.303 ( 0.463 -1.591 0.000) 1.657 3.426 ( -6.203 -1.191 0.000) 6.316 3.426 ( 6.203 -1.191 0.000) 6.316 3.530 ( -3.467 -6.748 0.000) 7.586 3.530 ( 3.467 -6.748 0.000) 7.586 3.819 ( -4.276 -7.610 0.000) 8.729 3.819 ( 4.276 -7.610 0.000) 8.729 3.935 ( -5.332 -12.186 0.000) 13.302 3.935 ( 5.332 -12.186 0.000) 13.302 4.280 ( -1.726 -6.806 0.000) 7.022 4.280 ( 1.726 -6.806 0.000) 7.022 4.565 ( -6.932 11.624 0.000) 13.534 4.565 ( 6.932 11.624 0.000) 13.534 5.019 ( -4.012 3.625 0.000) 5.407 5.019 ( 4.012 3.625 0.000) 5.407 5.245 ( -4.709 16.379 0.000) 17.043 5.245 ( 4.709 16.379 0.000) 17.043 5.451 ( -6.182 3.905 0.000) 7.312 5.451 ( 6.182 3.905 0.000) 7.312 5.581 ( -8.734 3.305 0.000) 9.339 5.581 ( 8.734 3.305 0.000) 9.339 5.874 ( -0.476 3.533 0.000) 3.565 5.874 ( 0.476 3.533 0.000) 3.565 6.117 ( -2.695 4.568 0.000) 5.303 6.117 ( 2.695 4.568 0.000) 5.303 6.211 ( -0.427 2.056 0.000) 2.100 6.211 ( 0.427 2.056 0.000) 2.100 6.478 ( -1.614 -1.307 0.000) 2.077 6.478 ( 1.614 -1.307 0.000) 2.077 6.514 ( -5.601 -0.160 0.000) 5.604 6.514 ( 5.601 -0.160 0.000) 5.604 6.949 ( -1.581 2.491 0.000) 2.950 6.949 ( 1.581 2.491 0.000) 2.950 7.023 ( -2.691 2.111 0.000) 3.420 7.023 ( 2.691 2.111 0.000) 3.420 7.271 ( -4.007 0.472 0.000) 4.034 7.271 ( 4.007 0.472 0.000) 4.034 7.463 ( -1.996 2.959 0.000) 3.569 7.463 ( 1.996 2.959 0.000) 3.569 7.637 ( -6.458 5.943 0.000) 8.776 7.637 ( 6.458 5.943 0.000) 8.776 7.671 ( -3.904 8.920 0.000) 9.737 7.671 ( 3.904 8.920 0.000) 9.737 8.235 ( -4.727 0.019 0.000) 4.727 8.235 ( 4.727 0.019 0.000) 4.727 8.486 ( -0.472 -0.299 0.000) 0.559 8.486 ( 0.472 -0.299 0.000) 0.559 8.675 ( -3.577 -1.737 0.000) 3.976 8.675 ( 3.577 -1.737 0.000) 3.976 8.930 ( -1.221 -2.055 0.000) 2.390 8.930 ( 1.221 -2.055 0.000) 2.390 9.352 ( -2.169 -1.637 0.000) 2.717 9.352 ( 2.169 -1.637 0.000) 2.717 9.615 ( -1.256 -3.301 0.000) 3.532 9.615 ( 1.256 -3.301 0.000) 3.532 ======================= Grid point 10 (7/63) ======================= q-point: ( 0.00 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.521 ( 0.000 1.769 0.000) 1.769 0.645 ( 0.000 -4.466 0.000) 4.466 0.906 ( 0.000 17.434 0.000) 17.434 1.174 ( 0.000 18.104 0.000) 18.104 1.184 ( 0.000 0.995 0.000) 0.995 1.316 ( 0.000 9.150 0.000) 9.150 1.321 ( 0.000 5.490 0.000) 5.490 1.348 ( 0.000 11.927 0.000) 11.927 1.352 ( 0.000 3.851 0.000) 3.851 1.450 ( 0.000 -1.270 0.000) 1.270 1.479 ( 0.000 10.803 0.000) 10.803 1.495 ( 0.000 -0.815 0.000) 0.815 1.554 ( 0.000 22.679 0.000) 22.679 1.756 ( 0.000 1.008 0.000) 1.008 1.759 ( 0.000 0.888 0.000) 0.888 1.845 ( 0.000 5.227 0.000) 5.227 1.994 ( 0.000 20.403 0.000) 20.403 2.000 ( 0.000 1.617 0.000) 1.617 2.006 ( 0.000 5.462 0.000) 5.462 2.032 ( 0.000 6.035 0.000) 6.035 2.193 ( 0.000 13.153 0.000) 13.153 2.244 ( 0.000 2.260 0.000) 2.260 2.492 ( 0.000 12.626 0.000) 12.626 2.537 ( 0.000 18.752 0.000) 18.752 2.741 ( 0.000 7.761 0.000) 7.761 2.846 ( 0.000 8.164 0.000) 8.164 2.992 ( 0.000 9.725 0.000) 9.725 3.029 ( 0.000 -0.562 0.000) 0.562 3.181 ( 0.000 -1.349 0.000) 1.349 3.295 ( 0.000 3.370 0.000) 3.370 3.339 ( 0.000 11.572 0.000) 11.572 3.341 ( 0.000 3.036 0.000) 3.036 3.533 ( 0.000 -5.532 0.000) 5.532 3.563 ( 0.000 5.202 0.000) 5.202 3.586 ( 0.000 -9.271 0.000) 9.271 3.605 ( 0.000 -11.061 0.000) 11.061 3.876 ( 0.000 -3.161 0.000) 3.161 3.990 ( 0.000 -4.454 0.000) 4.454 4.013 ( 0.000 -6.373 0.000) 6.373 4.167 ( 0.000 -10.064 0.000) 10.064 4.595 ( 0.000 5.190 0.000) 5.190 5.019 ( 0.000 -4.375 0.000) 4.375 5.033 ( 0.000 -0.814 0.000) 0.814 5.100 ( 0.000 17.519 0.000) 17.519 5.202 ( 0.000 10.766 0.000) 10.766 5.254 ( 0.000 0.511 0.000) 0.511 5.443 ( 0.000 11.412 0.000) 11.412 5.645 ( 0.000 -1.921 0.000) 1.921 5.904 ( 0.000 1.175 0.000) 1.175 5.964 ( 0.000 4.684 0.000) 4.684 5.996 ( 0.000 -3.670 0.000) 3.670 6.015 ( 0.000 3.996 0.000) 3.996 6.108 ( 0.000 -1.240 0.000) 1.240 6.225 ( 0.000 -1.437 0.000) 1.437 6.264 ( 0.000 8.028 0.000) 8.028 6.349 ( 0.000 6.791 0.000) 6.791 6.358 ( 0.000 12.364 0.000) 12.364 6.537 ( 0.000 19.023 0.000) 19.023 6.569 ( 0.000 -2.514 0.000) 2.514 6.674 ( 0.000 -3.806 0.000) 3.806 6.907 ( 0.000 1.000 0.000) 1.000 6.973 ( 0.000 -0.556 0.000) 0.556 7.010 ( 0.000 3.711 0.000) 3.711 7.193 ( 0.000 3.381 0.000) 3.381 7.246 ( 0.000 9.122 0.000) 9.122 7.340 ( 0.000 -3.267 0.000) 3.267 7.435 ( 0.000 14.337 0.000) 14.337 7.634 ( 0.000 5.235 0.000) 5.235 7.655 ( 0.000 8.197 0.000) 8.197 7.696 ( 0.000 5.312 0.000) 5.312 7.948 ( 0.000 2.166 0.000) 2.166 8.011 ( 0.000 6.652 0.000) 6.652 8.143 ( 0.000 -3.222 0.000) 3.222 8.427 ( 0.000 -1.595 0.000) 1.595 8.536 ( 0.000 0.537 0.000) 0.537 8.556 ( 0.000 2.060 0.000) 2.060 8.609 ( 0.000 -2.851 0.000) 2.851 8.623 ( 0.000 4.680 0.000) 4.680 8.867 ( 0.000 -3.394 0.000) 3.394 8.914 ( 0.000 -3.355 0.000) 3.355 9.229 ( 0.000 -2.592 0.000) 2.592 9.345 ( 0.000 -3.263 0.000) 3.263 9.476 ( 0.000 -4.972 0.000) 4.972 9.549 ( 0.000 -5.274 0.000) 5.274 ======================= Grid point 11 (8/63) ======================= q-point: ( 0.25 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( 12.347 -1.207 0.000) 12.406 0.867 ( 15.824 -2.353 0.000) 15.998 0.946 ( 3.373 14.708 0.000) 15.090 1.107 ( -5.062 2.948 0.000) 5.858 1.162 ( -4.592 9.251 0.000) 10.328 1.314 ( -3.358 8.084 0.000) 8.754 1.379 ( 3.615 6.462 0.000) 7.405 1.403 ( 0.670 3.159 0.000) 3.229 1.444 ( -1.504 -1.048 0.000) 1.833 1.456 ( 4.572 9.681 0.000) 10.706 1.490 ( 0.808 5.204 0.000) 5.266 1.527 ( 7.093 6.651 0.000) 9.724 1.591 ( 6.243 14.345 0.000) 15.645 1.773 ( 2.914 2.567 0.000) 3.884 1.801 ( 1.592 1.666 0.000) 2.304 1.863 ( 1.126 2.711 0.000) 2.935 1.911 ( -3.319 3.562 0.000) 4.869 2.026 ( 1.906 4.468 0.000) 4.858 2.043 ( 8.236 26.437 0.000) 27.691 2.073 ( -0.580 5.038 0.000) 5.071 2.156 ( -1.794 9.285 0.000) 9.457 2.412 ( 9.876 1.533 0.000) 9.995 2.496 ( 0.317 12.670 0.000) 12.674 2.515 ( -0.539 17.302 0.000) 17.311 2.679 ( -7.923 8.977 0.000) 11.973 2.804 ( -5.296 9.271 0.000) 10.677 2.923 ( -1.242 8.503 0.000) 8.593 3.156 ( 8.403 1.967 0.000) 8.630 3.202 ( 0.642 2.788 0.000) 2.861 3.280 ( -0.971 2.816 0.000) 2.978 3.361 ( -1.305 -0.661 0.000) 1.463 3.393 ( 0.092 4.060 0.000) 4.061 3.459 ( 3.963 -6.702 0.000) 7.786 3.498 ( -3.339 -3.385 0.000) 4.755 3.543 ( -2.062 2.542 0.000) 3.273 3.718 ( 4.533 -7.961 0.000) 9.161 3.851 ( -2.079 -2.276 0.000) 3.083 3.879 ( -7.365 -4.894 0.000) 8.842 4.068 ( 2.151 -8.243 0.000) 8.519 4.143 ( -1.905 -10.264 0.000) 10.440 4.627 ( 3.108 4.898 0.000) 5.801 4.892 ( -7.578 2.863 0.000) 8.101 5.066 ( 2.496 3.043 0.000) 3.936 5.150 ( -0.040 8.578 0.000) 8.578 5.281 ( 6.858 9.099 0.000) 11.395 5.334 ( 8.035 2.238 0.000) 8.341 5.491 ( 3.719 9.385 0.000) 10.095 5.622 ( -3.107 1.974 0.000) 3.681 5.841 ( -7.032 9.673 0.000) 11.959 5.864 ( -1.169 -0.509 0.000) 1.275 5.984 ( -3.374 2.929 0.000) 4.468 6.040 ( -9.120 7.586 0.000) 11.862 6.077 ( 3.890 -2.415 0.000) 4.578 6.146 ( -3.118 -4.261 0.000) 5.279 6.203 ( -4.481 3.725 0.000) 5.827 6.316 ( -1.252 3.074 0.000) 3.319 6.392 ( 3.141 2.912 0.000) 4.283 6.551 ( -4.515 2.663 0.000) 5.242 6.568 ( 1.416 4.910 0.000) 5.110 6.631 ( 0.118 8.627 0.000) 8.628 6.972 ( 4.801 2.207 0.000) 5.284 7.007 ( 2.314 1.244 0.000) 2.628 7.010 ( 0.431 2.866 0.000) 2.898 7.187 ( 1.563 8.408 0.000) 8.553 7.316 ( -3.094 6.882 0.000) 7.545 7.366 ( 1.147 0.215 0.000) 1.167 7.468 ( 8.944 10.839 0.000) 14.052 7.560 ( -3.996 6.437 0.000) 7.577 7.605 ( -2.206 4.449 0.000) 4.966 7.796 ( 4.440 7.020 0.000) 8.306 7.906 ( -3.993 3.131 0.000) 5.074 7.951 ( -3.596 9.047 0.000) 9.735 8.184 ( 2.757 -0.834 0.000) 2.881 8.319 ( -5.887 -1.072 0.000) 5.984 8.492 ( -3.572 0.500 0.000) 3.607 8.519 ( -1.190 0.195 0.000) 1.206 8.625 ( 0.377 3.142 0.000) 3.165 8.671 ( 1.657 -1.950 0.000) 2.558 8.860 ( -0.121 -3.023 0.000) 3.025 8.905 ( -0.875 -3.192 0.000) 3.310 9.258 ( 2.241 -2.646 0.000) 3.468 9.338 ( -0.865 -3.223 0.000) 3.337 9.496 ( 1.536 -5.000 0.000) 5.231 9.545 ( -0.465 -5.267 0.000) 5.287 ======================= Grid point 12 (9/63) ======================= q-point: (-0.50 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( -7.694 0.935 0.000) 7.751 0.969 ( 7.694 0.935 0.000) 7.751 1.037 ( -3.420 8.064 0.000) 8.760 1.037 ( 3.420 8.064 0.000) 8.760 1.177 ( -9.165 4.770 0.000) 10.332 1.177 ( 9.165 4.770 0.000) 10.332 1.410 ( -0.922 0.179 0.000) 0.940 1.410 ( 0.922 0.179 0.000) 0.940 1.455 ( -3.188 7.619 0.000) 8.259 1.455 ( 3.188 7.619 0.000) 8.259 1.516 ( -1.168 9.818 0.000) 9.887 1.516 ( 1.168 9.818 0.000) 9.887 1.767 ( -3.563 8.001 0.000) 8.758 1.767 ( 3.563 8.001 0.000) 8.758 1.884 ( -0.822 0.884 0.000) 1.207 1.884 ( 0.822 0.884 0.000) 1.207 1.951 ( -9.932 2.099 0.000) 10.152 1.951 ( 9.932 2.099 0.000) 10.152 2.097 ( -3.423 6.443 0.000) 7.296 2.097 ( 3.423 6.443 0.000) 7.296 2.360 ( -18.135 20.281 0.000) 27.206 2.360 ( 18.135 20.281 0.000) 27.206 2.493 ( -0.684 13.416 0.000) 13.433 2.493 ( 0.684 13.416 0.000) 13.433 2.643 ( -8.693 6.552 0.000) 10.886 2.643 ( 8.693 6.552 0.000) 10.886 3.052 ( -10.303 4.241 0.000) 11.142 3.052 ( 10.303 4.241 0.000) 11.142 3.266 ( -0.055 -0.747 0.000) 0.749 3.266 ( 0.055 -0.747 0.000) 0.749 3.384 ( -7.103 -4.408 0.000) 8.359 3.384 ( 7.103 -4.408 0.000) 8.359 3.471 ( -4.507 5.995 0.000) 7.501 3.471 ( 4.507 5.995 0.000) 7.501 3.676 ( -10.930 -3.957 0.000) 11.625 3.676 ( 10.930 -3.957 0.000) 11.625 3.799 ( -3.005 -5.286 0.000) 6.080 3.799 ( 3.005 -5.286 0.000) 6.080 4.104 ( -1.504 -10.187 0.000) 10.297 4.104 ( 1.504 -10.187 0.000) 10.297 4.734 ( -6.560 4.210 0.000) 7.795 4.734 ( 6.560 4.210 0.000) 7.795 5.119 ( -2.163 6.505 0.000) 6.856 5.119 ( 2.163 6.505 0.000) 6.856 5.450 ( -5.859 6.065 0.000) 8.433 5.450 ( 5.859 6.065 0.000) 8.433 5.536 ( -0.772 5.630 0.000) 5.682 5.536 ( 0.772 5.630 0.000) 5.682 5.800 ( -5.628 13.377 0.000) 14.512 5.800 ( 5.628 13.377 0.000) 14.512 5.896 ( -3.187 0.401 0.000) 3.213 5.896 ( 3.187 0.401 0.000) 3.213 6.115 ( -0.696 -8.907 0.000) 8.934 6.115 ( 0.696 -8.907 0.000) 8.934 6.240 ( -4.139 3.881 0.000) 5.674 6.240 ( 4.139 3.881 0.000) 5.674 6.450 ( -3.234 -1.978 0.000) 3.791 6.450 ( 3.234 -1.978 0.000) 3.791 6.618 ( -1.910 10.897 0.000) 11.063 6.618 ( 1.910 10.897 0.000) 11.063 7.022 ( -0.024 3.817 0.000) 3.817 7.022 ( 0.024 3.817 0.000) 3.817 7.117 ( -7.129 6.527 0.000) 9.666 7.117 ( 7.129 6.527 0.000) 9.666 7.326 ( -4.288 4.617 0.000) 6.301 7.326 ( 4.288 4.617 0.000) 6.301 7.540 ( -1.727 4.872 0.000) 5.169 7.540 ( 1.727 4.872 0.000) 5.169 7.718 ( -10.168 4.929 0.000) 11.300 7.718 ( 10.168 4.929 0.000) 11.300 7.898 ( -2.023 10.006 0.000) 10.209 7.898 ( 2.023 10.006 0.000) 10.209 8.230 ( -2.309 -0.158 0.000) 2.314 8.230 ( 2.309 -0.158 0.000) 2.314 8.477 ( -1.942 -0.806 0.000) 2.102 8.477 ( 1.942 -0.806 0.000) 2.102 8.656 ( -2.086 0.409 0.000) 2.125 8.656 ( 2.086 0.409 0.000) 2.125 8.877 ( -1.448 -3.000 0.000) 3.331 8.877 ( 1.448 -3.000 0.000) 3.331 9.306 ( -1.975 -2.909 0.000) 3.516 9.306 ( 1.975 -2.909 0.000) 3.516 9.527 ( -1.177 -5.153 0.000) 5.285 9.527 ( 1.177 -5.153 0.000) 5.285 ======================= Grid point 15 (10/63) ======================= q-point: ( 0.00 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.563 ( 0.000 2.894 0.000) 2.894 0.564 ( 0.000 -3.305 0.000) 3.305 1.167 ( 0.000 6.993 0.000) 6.993 1.231 ( 0.000 5.267 0.000) 5.267 1.388 ( 0.000 0.248 0.000) 0.248 1.423 ( 0.000 -1.058 0.000) 1.058 1.425 ( 0.000 4.348 0.000) 4.348 1.432 ( 0.000 5.070 0.000) 5.070 1.514 ( 0.000 12.793 0.000) 12.793 1.564 ( 0.000 9.196 0.000) 9.196 1.602 ( 0.000 8.510 0.000) 8.510 1.666 ( 0.000 8.573 0.000) 8.573 1.780 ( 0.000 4.563 0.000) 4.563 1.830 ( 0.000 6.513 0.000) 6.513 1.832 ( 0.000 6.539 0.000) 6.539 1.990 ( 0.000 9.116 0.000) 9.116 2.049 ( 0.000 1.023 0.000) 1.023 2.074 ( 0.000 5.460 0.000) 5.460 2.118 ( 0.000 1.760 0.000) 1.760 2.233 ( 0.000 -1.948 0.000) 1.948 2.319 ( 0.000 5.625 0.000) 5.625 2.609 ( 0.000 28.948 0.000) 28.948 2.652 ( 0.000 1.600 0.000) 1.600 2.796 ( 0.000 -1.088 0.000) 1.088 2.881 ( 0.000 11.541 0.000) 11.541 3.015 ( 0.000 6.868 0.000) 6.868 3.025 ( 0.000 -0.511 0.000) 0.511 3.169 ( 0.000 1.677 0.000) 1.677 3.185 ( 0.000 7.375 0.000) 7.375 3.260 ( 0.000 -10.545 0.000) 10.545 3.405 ( 0.000 -5.387 0.000) 5.387 3.417 ( 0.000 9.423 0.000) 9.423 3.427 ( 0.000 -5.074 0.000) 5.074 3.591 ( 0.000 9.926 0.000) 9.926 3.650 ( 0.000 16.843 0.000) 16.843 3.748 ( 0.000 9.027 0.000) 9.027 3.821 ( 0.000 -1.503 0.000) 1.503 3.945 ( 0.000 -11.128 0.000) 11.128 3.955 ( 0.000 3.590 0.000) 3.590 3.957 ( 0.000 1.319 0.000) 1.319 4.636 ( 0.000 1.239 0.000) 1.239 4.941 ( 0.000 -3.721 0.000) 3.721 5.005 ( 0.000 -2.076 0.000) 2.076 5.269 ( 0.000 1.206 0.000) 1.206 5.438 ( 0.000 14.825 0.000) 14.825 5.447 ( 0.000 11.206 0.000) 11.206 5.572 ( 0.000 -4.838 0.000) 4.838 5.651 ( 0.000 9.913 0.000) 9.913 5.876 ( 0.000 -4.577 0.000) 4.577 5.926 ( 0.000 -1.343 0.000) 1.343 5.986 ( 0.000 -4.263 0.000) 4.263 6.038 ( 0.000 -0.175 0.000) 0.175 6.112 ( 0.000 1.952 0.000) 1.952 6.212 ( 0.000 1.634 0.000) 1.634 6.438 ( 0.000 7.763 0.000) 7.763 6.491 ( 0.000 6.186 0.000) 6.186 6.523 ( 0.000 -1.643 0.000) 1.643 6.532 ( 0.000 -0.538 0.000) 0.538 6.591 ( 0.000 1.659 0.000) 1.659 6.834 ( 0.000 -1.677 0.000) 1.677 6.994 ( 0.000 1.704 0.000) 1.704 7.001 ( 0.000 17.709 0.000) 17.709 7.087 ( 0.000 5.422 0.000) 5.422 7.304 ( 0.000 7.407 0.000) 7.407 7.331 ( 0.000 2.435 0.000) 2.435 7.462 ( 0.000 10.572 0.000) 10.572 7.706 ( 0.000 11.986 0.000) 11.986 7.721 ( 0.000 -1.646 0.000) 1.646 7.753 ( 0.000 6.829 0.000) 6.829 7.831 ( 0.000 7.920 0.000) 7.920 8.016 ( 0.000 4.659 0.000) 4.659 8.093 ( 0.000 -0.688 0.000) 0.688 8.138 ( 0.000 5.473 0.000) 5.473 8.382 ( 0.000 -3.078 0.000) 3.078 8.539 ( 0.000 -0.297 0.000) 0.297 8.583 ( 0.000 0.592 0.000) 0.592 8.623 ( 0.000 3.652 0.000) 3.652 8.719 ( 0.000 4.619 0.000) 4.619 8.795 ( 0.000 -3.525 0.000) 3.525 8.837 ( 0.000 -3.893 0.000) 3.893 9.172 ( 0.000 -3.036 0.000) 3.036 9.267 ( 0.000 -4.525 0.000) 4.525 9.373 ( 0.000 -5.063 0.000) 5.063 9.430 ( 0.000 -6.552 0.000) 6.552 ======================= Grid point 16 (11/63) ======================= q-point: ( 0.25 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( 12.205 -1.292 0.000) 12.274 0.811 ( 16.812 -1.004 0.000) 16.842 1.148 ( -3.882 2.580 0.000) 4.661 1.203 ( -0.743 9.094 0.000) 9.125 1.349 ( -4.520 8.622 0.000) 9.735 1.350 ( -4.126 -0.501 0.000) 4.156 1.429 ( 0.335 0.051 0.000) 0.339 1.457 ( 0.256 2.439 0.000) 2.452 1.535 ( 0.134 7.655 0.000) 7.657 1.609 ( 2.816 5.404 0.000) 6.094 1.665 ( 3.148 8.816 0.000) 9.361 1.677 ( 2.978 8.281 0.000) 8.801 1.790 ( 3.100 5.625 0.000) 6.423 1.861 ( 2.799 7.120 0.000) 7.650 1.863 ( 1.994 5.079 0.000) 5.456 1.993 ( 0.063 9.799 0.000) 9.799 2.002 ( -2.254 5.406 0.000) 5.858 2.084 ( 1.537 2.400 0.000) 2.850 2.152 ( -0.091 2.638 0.000) 2.639 2.243 ( -1.995 0.122 0.000) 1.999 2.369 ( 7.020 0.437 0.000) 7.033 2.663 ( 1.791 1.123 0.000) 2.114 2.665 ( 5.061 25.448 0.000) 25.946 2.732 ( -5.621 -1.523 0.000) 5.823 2.832 ( -1.277 12.115 0.000) 12.182 3.021 ( -0.366 9.949 0.000) 9.956 3.118 ( -5.667 10.322 0.000) 11.776 3.122 ( 1.467 -8.477 0.000) 8.603 3.250 ( 6.502 2.229 0.000) 6.874 3.296 ( 1.186 3.806 0.000) 3.987 3.335 ( -4.085 -0.378 0.000) 4.102 3.396 ( 5.021 -3.165 0.000) 5.935 3.468 ( 0.775 3.830 0.000) 3.908 3.638 ( 3.069 3.906 0.000) 4.968 3.670 ( 2.297 16.239 0.000) 16.401 3.707 ( -3.068 8.644 0.000) 9.172 3.753 ( -5.496 -3.967 0.000) 6.778 3.905 ( -4.046 6.038 0.000) 7.268 3.926 ( -1.275 -9.935 0.000) 10.016 3.953 ( -1.246 -0.767 0.000) 1.463 4.678 ( 3.653 1.739 0.000) 4.046 4.886 ( -4.430 -1.634 0.000) 4.722 5.070 ( 5.494 -1.915 0.000) 5.818 5.273 ( -1.062 2.430 0.000) 2.652 5.476 ( 4.389 8.642 0.000) 9.692 5.510 ( 5.112 10.862 0.000) 12.004 5.610 ( 2.856 -1.313 0.000) 3.143 5.643 ( -0.826 6.453 0.000) 6.506 5.849 ( -0.834 -2.118 0.000) 2.276 5.938 ( -3.076 -0.001 0.000) 3.076 5.952 ( 0.651 -2.901 0.000) 2.973 5.979 ( -5.374 -4.379 0.000) 6.933 6.147 ( -5.616 5.945 0.000) 8.178 6.150 ( 3.412 0.725 0.000) 3.488 6.264 ( -5.461 -4.007 0.000) 6.773 6.321 ( -15.698 2.936 0.000) 15.970 6.499 ( -4.871 -0.387 0.000) 4.886 6.506 ( -0.265 5.904 0.000) 5.910 6.723 ( 9.057 7.470 0.000) 11.740 6.898 ( 0.347 8.793 0.000) 8.800 6.989 ( 7.382 1.590 0.000) 7.551 7.079 ( 0.238 5.109 0.000) 5.115 7.107 ( 2.898 8.975 0.000) 9.431 7.343 ( 3.111 7.841 0.000) 8.436 7.398 ( 4.717 2.596 0.000) 5.384 7.448 ( -4.165 6.224 0.000) 7.489 7.672 ( -3.484 3.327 0.000) 4.818 7.700 ( -3.477 5.239 0.000) 6.287 7.739 ( 3.758 13.655 0.000) 14.163 7.894 ( 3.725 3.800 0.000) 5.321 7.988 ( -1.321 5.043 0.000) 5.213 8.093 ( -2.902 4.634 0.000) 5.468 8.158 ( 4.295 -0.588 0.000) 4.336 8.306 ( -4.577 -0.583 0.000) 4.614 8.515 ( -1.526 0.138 0.000) 1.532 8.553 ( -5.039 4.517 0.000) 6.767 8.645 ( 2.737 -0.677 0.000) 2.820 8.692 ( -1.532 2.903 0.000) 3.282 8.805 ( 0.805 -2.340 0.000) 2.475 8.838 ( -0.219 -2.859 0.000) 2.867 9.198 ( 1.933 -3.334 0.000) 3.853 9.262 ( -0.623 -4.383 0.000) 4.427 9.392 ( 1.395 -5.206 0.000) 5.390 9.428 ( -0.210 -6.269 0.000) 6.273 ======================= Grid point 17 (12/63) ======================= q-point: (-0.50 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( -10.461 0.529 0.000) 10.475 0.986 ( 10.461 0.529 0.000) 10.475 1.124 ( -10.239 0.241 0.000) 10.242 1.124 ( 10.239 0.241 0.000) 10.242 1.282 ( -0.839 7.971 0.000) 8.015 1.282 ( 0.839 7.971 0.000) 8.015 1.438 ( -0.977 1.792 0.000) 2.041 1.438 ( 0.977 1.792 0.000) 2.041 1.575 ( -2.939 4.993 0.000) 5.794 1.575 ( 2.939 4.993 0.000) 5.794 1.710 ( -0.646 8.467 0.000) 8.492 1.710 ( 0.646 8.467 0.000) 8.492 1.872 ( -1.328 2.541 0.000) 2.867 1.872 ( 1.328 2.541 0.000) 2.867 1.979 ( -1.031 9.087 0.000) 9.145 1.979 ( 1.031 9.087 0.000) 9.145 2.028 ( -8.233 5.469 0.000) 9.884 2.028 ( 8.233 5.469 0.000) 9.884 2.167 ( -3.898 1.435 0.000) 4.153 2.167 ( 3.898 1.435 0.000) 4.153 2.564 ( -9.322 -2.899 0.000) 9.762 2.564 ( 9.322 -2.899 0.000) 9.762 2.729 ( -2.035 7.749 0.000) 8.012 2.729 ( 2.035 7.749 0.000) 8.012 2.902 ( -8.323 19.100 0.000) 20.835 2.902 ( 8.323 19.100 0.000) 20.835 3.072 ( -2.008 -0.455 0.000) 2.059 3.072 ( 2.008 -0.455 0.000) 2.059 3.281 ( -0.635 2.011 0.000) 2.109 3.281 ( 0.635 2.011 0.000) 2.109 3.422 ( -5.672 6.649 0.000) 8.739 3.422 ( 5.672 6.649 0.000) 8.739 3.586 ( -8.548 -3.306 0.000) 9.166 3.586 ( 8.548 -3.306 0.000) 9.166 3.675 ( -1.197 5.775 0.000) 5.898 3.675 ( 1.197 5.775 0.000) 5.898 3.779 ( -6.733 8.160 0.000) 10.579 3.779 ( 6.733 8.160 0.000) 10.579 3.921 ( -1.092 -5.428 0.000) 5.536 3.921 ( 1.092 -5.428 0.000) 5.536 4.778 ( -5.162 1.216 0.000) 5.303 4.778 ( 5.162 1.216 0.000) 5.303 5.200 ( -5.424 0.914 0.000) 5.501 5.200 ( 5.424 0.914 0.000) 5.501 5.592 ( -4.223 2.706 0.000) 5.016 5.592 ( 4.223 2.706 0.000) 5.016 5.621 ( -3.218 7.234 0.000) 7.918 5.621 ( 3.218 7.234 0.000) 7.918 5.868 ( -3.349 -2.861 0.000) 4.405 5.868 ( 3.349 -2.861 0.000) 4.405 5.950 ( -3.394 -3.440 0.000) 4.833 5.950 ( 3.394 -3.440 0.000) 4.833 6.053 ( -2.310 6.400 0.000) 6.804 6.053 ( 2.310 6.400 0.000) 6.804 6.213 ( -1.718 -3.493 0.000) 3.893 6.213 ( 1.718 -3.493 0.000) 3.893 6.467 ( -1.816 3.668 0.000) 4.093 6.467 ( 1.816 3.668 0.000) 4.093 6.857 ( -3.589 10.217 0.000) 10.829 6.857 ( 3.589 10.217 0.000) 10.829 7.110 ( -1.751 5.834 0.000) 6.091 7.110 ( 1.751 5.834 0.000) 6.091 7.227 ( -12.346 4.121 0.000) 13.016 7.227 ( 12.346 4.121 0.000) 13.016 7.438 ( -2.531 6.195 0.000) 6.693 7.438 ( 2.531 6.195 0.000) 6.693 7.639 ( -1.676 4.131 0.000) 4.458 7.639 ( 1.676 4.131 0.000) 4.458 7.853 ( -5.412 7.979 0.000) 9.641 7.853 ( 5.412 7.979 0.000) 9.641 8.039 ( -3.152 4.352 0.000) 5.374 8.039 ( 3.152 4.352 0.000) 5.374 8.229 ( -2.467 -0.197 0.000) 2.475 8.229 ( 2.467 -0.197 0.000) 2.475 8.486 ( -0.047 2.605 0.000) 2.605 8.486 ( 0.047 2.605 0.000) 2.605 8.675 ( -0.421 0.668 0.000) 0.790 8.675 ( 0.421 0.668 0.000) 0.790 8.824 ( -0.941 -1.853 0.000) 2.078 8.824 ( 0.941 -1.853 0.000) 2.078 9.238 ( -1.550 -3.900 0.000) 4.197 9.238 ( 1.550 -3.900 0.000) 4.197 9.418 ( -0.836 -5.671 0.000) 5.732 9.418 ( 0.836 -5.671 0.000) 5.732 ======================= Grid point 20 (13/63) ======================= q-point: ( 0.00 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( 0.000 -0.548 0.000) 0.548 0.624 ( 0.000 2.589 0.000) 2.589 1.222 ( 0.000 1.268 0.000) 1.268 1.368 ( 0.000 6.104 0.000) 6.104 1.380 ( 0.000 -1.161 0.000) 1.161 1.412 ( 0.000 0.114 0.000) 0.114 1.500 ( 0.000 3.037 0.000) 3.037 1.509 ( 0.000 2.572 0.000) 2.572 1.669 ( 0.000 4.342 0.000) 4.342 1.708 ( 0.000 5.198 0.000) 5.198 1.767 ( 0.000 7.670 0.000) 7.670 1.839 ( 0.000 8.189 0.000) 8.189 1.888 ( 0.000 6.322 0.000) 6.322 1.946 ( 0.000 4.814 0.000) 4.814 1.999 ( 0.000 9.500 0.000) 9.500 2.059 ( 0.000 0.164 0.000) 0.164 2.138 ( 0.000 0.715 0.000) 0.715 2.193 ( 0.000 -0.274 0.000) 0.274 2.201 ( 0.000 6.752 0.000) 6.752 2.224 ( 0.000 11.956 0.000) 11.956 2.355 ( 0.000 -0.825 0.000) 0.825 2.565 ( 0.000 -7.635 0.000) 7.635 2.759 ( 0.000 -2.433 0.000) 2.433 2.857 ( 0.000 -11.722 0.000) 11.722 2.881 ( 0.000 -6.693 0.000) 6.693 3.053 ( 0.000 -4.246 0.000) 4.246 3.068 ( 0.000 4.068 0.000) 4.068 3.249 ( 0.000 3.999 0.000) 3.999 3.250 ( 0.000 2.274 0.000) 2.274 3.266 ( 0.000 18.427 0.000) 18.427 3.340 ( 0.000 -5.190 0.000) 5.190 3.491 ( 0.000 11.616 0.000) 11.616 3.629 ( 0.000 9.109 0.000) 9.109 3.660 ( 0.000 -7.199 0.000) 7.199 3.809 ( 0.000 1.312 0.000) 1.312 3.856 ( 0.000 4.769 0.000) 4.769 3.918 ( 0.000 11.933 0.000) 11.933 3.975 ( 0.000 14.779 0.000) 14.779 4.051 ( 0.000 7.200 0.000) 7.200 4.180 ( 0.000 14.212 0.000) 14.212 4.688 ( 0.000 3.826 0.000) 3.826 4.862 ( 0.000 -4.272 0.000) 4.272 4.948 ( 0.000 -3.670 0.000) 3.670 5.271 ( 0.000 -2.260 0.000) 2.260 5.482 ( 0.000 -3.324 0.000) 3.324 5.597 ( 0.000 3.802 0.000) 3.802 5.653 ( 0.000 4.883 0.000) 4.883 5.729 ( 0.000 -7.220 0.000) 7.220 5.835 ( 0.000 -7.273 0.000) 7.273 5.864 ( 0.000 9.864 0.000) 9.864 5.973 ( 0.000 5.731 0.000) 5.731 6.033 ( 0.000 -0.364 0.000) 0.364 6.174 ( 0.000 3.753 0.000) 3.753 6.273 ( 0.000 3.898 0.000) 3.898 6.450 ( 0.000 -3.806 0.000) 3.806 6.529 ( 0.000 1.368 0.000) 1.368 6.529 ( 0.000 2.240 0.000) 2.240 6.592 ( 0.000 4.010 0.000) 4.010 6.655 ( 0.000 1.404 0.000) 1.404 6.730 ( 0.000 -6.370 0.000) 6.370 7.027 ( 0.000 1.764 0.000) 1.764 7.248 ( 0.000 10.391 0.000) 10.391 7.315 ( 0.000 11.408 0.000) 11.408 7.408 ( 0.000 4.222 0.000) 4.222 7.471 ( 0.000 8.887 0.000) 8.887 7.622 ( 0.000 -6.954 0.000) 6.954 7.630 ( 0.000 6.242 0.000) 6.242 7.890 ( 0.000 6.061 0.000) 6.061 7.905 ( 0.000 7.795 0.000) 7.795 7.997 ( 0.000 8.097 0.000) 8.097 8.120 ( 0.000 2.810 0.000) 2.810 8.127 ( 0.000 6.146 0.000) 6.146 8.219 ( 0.000 2.777 0.000) 2.777 8.300 ( 0.000 -5.086 0.000) 5.086 8.522 ( 0.000 -1.504 0.000) 1.504 8.629 ( 0.000 3.650 0.000) 3.650 8.648 ( 0.000 -2.136 0.000) 2.136 8.738 ( 0.000 -1.882 0.000) 1.882 8.791 ( 0.000 0.076 0.000) 0.076 8.805 ( 0.000 4.102 0.000) 4.102 9.107 ( 0.000 -3.441 0.000) 3.441 9.165 ( 0.000 -5.637 0.000) 5.637 9.280 ( 0.000 -4.195 0.000) 4.195 9.292 ( 0.000 -7.105 0.000) 7.105 ======================= Grid point 21 (14/63) ======================= q-point: ( 0.25 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( 13.099 -1.288 0.000) 13.163 0.835 ( 14.849 1.930 0.000) 14.973 1.171 ( -5.467 0.443 0.000) 5.485 1.319 ( -5.165 1.312 0.000) 5.329 1.383 ( 1.227 4.371 0.000) 4.539 1.431 ( 1.444 0.190 0.000) 1.456 1.480 ( -2.103 3.551 0.000) 4.127 1.508 ( -0.522 2.906 0.000) 2.953 1.677 ( -1.386 6.679 0.000) 6.821 1.683 ( 0.376 3.211 0.000) 3.233 1.812 ( 2.625 5.876 0.000) 6.435 1.836 ( 0.778 7.054 0.000) 7.097 1.897 ( 0.958 6.053 0.000) 6.128 1.976 ( -1.662 4.963 0.000) 5.234 2.005 ( 4.847 6.505 0.000) 8.112 2.092 ( 2.471 3.644 0.000) 4.403 2.152 ( 1.614 3.526 0.000) 3.878 2.199 ( -0.968 0.682 0.000) 1.184 2.223 ( 0.265 5.819 0.000) 5.825 2.236 ( 1.180 9.515 0.000) 9.587 2.354 ( 1.734 -1.400 0.000) 2.228 2.549 ( -1.126 -7.770 0.000) 7.851 2.709 ( -3.442 -2.520 0.000) 4.266 2.803 ( -3.329 -8.569 0.000) 9.193 2.925 ( 3.072 -6.146 0.000) 6.871 3.086 ( 1.084 -4.508 0.000) 4.637 3.177 ( 3.224 11.591 0.000) 12.031 3.232 ( 6.414 -1.708 0.000) 6.638 3.262 ( 0.250 3.561 0.000) 3.569 3.291 ( -2.057 -2.329 0.000) 3.107 3.429 ( 8.697 9.412 0.000) 12.815 3.470 ( -0.483 10.412 0.000) 10.423 3.600 ( -4.116 4.662 0.000) 6.219 3.660 ( 0.230 -3.423 0.000) 3.431 3.702 ( -5.289 3.791 0.000) 6.508 3.848 ( -3.187 5.751 0.000) 6.575 3.937 ( 1.963 11.652 0.000) 11.816 3.990 ( 1.523 14.706 0.000) 14.785 4.044 ( -0.966 8.650 0.000) 8.704 4.139 ( -3.581 13.665 0.000) 14.126 4.720 ( 2.942 2.387 0.000) 3.789 4.844 ( -1.577 -2.613 0.000) 3.052 5.009 ( 5.416 -3.913 0.000) 6.681 5.269 ( -1.741 -3.522 0.000) 3.929 5.499 ( 2.575 -1.788 0.000) 3.135 5.642 ( 3.370 2.679 0.000) 4.305 5.676 ( 2.540 2.383 0.000) 3.482 5.731 ( 0.643 -6.264 0.000) 6.297 5.795 ( -5.755 6.994 0.000) 9.057 5.806 ( -2.502 -7.282 0.000) 7.700 5.969 ( -4.221 0.424 0.000) 4.242 6.006 ( 1.042 5.823 0.000) 5.915 6.115 ( -5.359 -2.845 0.000) 6.068 6.233 ( -10.454 2.082 0.000) 10.660 6.278 ( -1.257 5.541 0.000) 5.682 6.332 ( -5.904 1.562 0.000) 6.107 6.552 ( -3.931 2.763 0.000) 4.805 6.606 ( -0.309 4.077 0.000) 4.089 6.801 ( 10.415 0.724 0.000) 10.441 6.924 ( 9.143 -2.252 0.000) 9.416 7.050 ( 4.243 3.251 0.000) 5.346 7.237 ( -0.136 9.923 0.000) 9.924 7.331 ( -1.045 10.212 0.000) 10.265 7.447 ( 5.115 1.785 0.000) 5.417 7.512 ( 2.521 9.021 0.000) 9.367 7.554 ( -6.630 4.527 0.000) 8.028 7.651 ( 1.791 -4.498 0.000) 4.841 7.801 ( -6.504 4.419 0.000) 7.863 7.967 ( 3.891 8.399 0.000) 9.257 7.999 ( -1.091 6.719 0.000) 6.807 8.097 ( 0.977 5.431 0.000) 5.518 8.120 ( -5.447 -1.961 0.000) 5.789 8.186 ( 2.780 3.043 0.000) 4.122 8.297 ( -1.374 0.220 0.000) 1.391 8.527 ( 0.407 0.250 0.000) 0.478 8.610 ( -3.086 -0.317 0.000) 3.102 8.652 ( 1.492 1.713 0.000) 2.272 8.730 ( -2.962 1.804 0.000) 3.468 8.773 ( 2.446 -0.625 0.000) 2.524 8.826 ( 0.091 1.846 0.000) 1.848 9.125 ( 1.317 -3.971 0.000) 4.183 9.163 ( -0.251 -5.404 0.000) 5.410 9.292 ( 0.855 -4.696 0.000) 4.773 9.298 ( 0.437 -6.646 0.000) 6.661 ======================= Grid point 22 (15/63) ======================= q-point: (-0.50 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( -11.960 -0.821 0.000) 11.988 0.978 ( 11.960 -0.821 0.000) 11.988 1.136 ( -11.740 1.228 0.000) 11.804 1.136 ( 11.740 1.228 0.000) 11.804 1.427 ( -2.535 4.567 0.000) 5.223 1.427 ( 2.535 4.567 0.000) 5.223 1.472 ( -2.224 2.074 0.000) 3.041 1.472 ( 2.224 2.074 0.000) 3.041 1.670 ( -0.745 5.307 0.000) 5.359 1.670 ( 0.745 5.307 0.000) 5.359 1.850 ( -0.512 5.528 0.000) 5.552 1.850 ( 0.512 5.528 0.000) 5.552 1.934 ( -2.096 4.071 0.000) 4.579 1.934 ( 2.096 4.071 0.000) 4.579 2.126 ( -3.486 5.587 0.000) 6.586 2.126 ( 3.486 5.587 0.000) 6.586 2.166 ( -0.220 1.985 0.000) 1.997 2.166 ( 0.220 1.985 0.000) 1.997 2.213 ( -2.204 8.402 0.000) 8.686 2.213 ( 2.204 8.402 0.000) 8.686 2.470 ( -6.726 -4.284 0.000) 7.975 2.470 ( 6.726 -4.284 0.000) 7.975 2.712 ( -4.162 -6.072 0.000) 7.362 2.712 ( 4.162 -6.072 0.000) 7.362 3.022 ( -5.416 -5.186 0.000) 7.498 3.022 ( 5.416 -5.186 0.000) 7.498 3.239 ( -2.734 11.130 0.000) 11.461 3.239 ( 2.734 11.130 0.000) 11.461 3.315 ( -1.827 -3.378 0.000) 3.840 3.315 ( 1.827 -3.378 0.000) 3.840 3.470 ( -4.854 1.423 0.000) 5.058 3.470 ( 4.854 1.423 0.000) 5.058 3.631 ( -4.008 9.065 0.000) 9.911 3.631 ( 4.008 9.065 0.000) 9.911 3.716 ( -7.230 2.780 0.000) 7.746 3.716 ( 7.230 2.780 0.000) 7.746 3.998 ( -3.094 10.772 0.000) 11.208 3.998 ( 3.094 10.772 0.000) 11.208 4.049 ( -3.963 14.051 0.000) 14.600 4.049 ( 3.963 14.051 0.000) 14.600 4.793 ( -3.140 0.300 0.000) 3.155 4.793 ( 3.140 0.300 0.000) 3.155 5.159 ( -7.422 -4.660 0.000) 8.764 5.159 ( 7.422 -4.660 0.000) 8.764 5.616 ( -7.161 1.417 0.000) 7.300 5.616 ( 7.161 1.417 0.000) 7.300 5.728 ( -1.094 0.685 0.000) 1.291 5.728 ( 1.094 0.685 0.000) 1.291 5.756 ( -0.617 -6.422 0.000) 6.452 5.756 ( 0.617 -6.422 0.000) 6.452 5.936 ( -3.472 -0.955 0.000) 3.601 5.936 ( 3.472 -0.955 0.000) 3.601 6.076 ( -3.019 3.311 0.000) 4.481 6.076 ( 3.019 3.311 0.000) 4.481 6.271 ( -0.327 5.606 0.000) 5.615 6.271 ( 0.327 5.606 0.000) 5.615 6.557 ( -3.081 4.759 0.000) 5.669 6.557 ( 3.081 4.759 0.000) 5.669 6.955 ( -3.555 0.328 0.000) 3.570 6.955 ( 3.555 0.328 0.000) 3.570 7.257 ( -1.159 6.235 0.000) 6.342 7.257 ( 1.159 6.235 0.000) 6.342 7.312 ( -10.047 5.918 0.000) 11.660 7.312 ( 10.047 5.918 0.000) 11.660 7.563 ( -1.815 5.852 0.000) 6.127 7.563 ( 1.815 5.852 0.000) 6.127 7.685 ( -3.007 0.353 0.000) 3.027 7.685 ( 3.007 0.353 0.000) 3.027 7.974 ( -0.553 2.957 0.000) 3.008 7.974 ( 0.553 2.957 0.000) 3.008 8.110 ( -1.585 3.876 0.000) 4.188 8.110 ( 1.585 3.876 0.000) 4.188 8.245 ( -2.924 2.280 0.000) 3.708 8.245 ( 2.924 2.280 0.000) 3.708 8.548 ( -1.928 1.814 0.000) 2.647 8.548 ( 1.928 1.814 0.000) 2.647 8.683 ( -1.519 1.128 0.000) 1.891 8.683 ( 1.519 1.128 0.000) 1.891 8.814 ( -1.184 0.796 0.000) 1.427 8.814 ( 1.184 0.796 0.000) 1.427 9.151 ( -0.931 -4.776 0.000) 4.866 9.151 ( 0.931 -4.776 0.000) 4.866 9.304 ( -0.067 -5.676 0.000) 5.677 9.304 ( 0.067 -5.676 0.000) 5.677 ======================= Grid point 25 (16/63) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( 0.000 1.576 0.000) 1.576 0.647 ( 0.000 -0.337 0.000) 0.337 1.245 ( 0.000 1.140 0.000) 1.140 1.348 ( 0.000 -1.798 0.000) 1.798 1.419 ( 0.000 0.403 0.000) 0.403 1.458 ( 0.000 2.559 0.000) 2.559 1.542 ( 0.000 0.930 0.000) 0.930 1.544 ( 0.000 1.303 0.000) 1.303 1.763 ( 0.000 5.933 0.000) 5.933 1.781 ( 0.000 2.671 0.000) 2.671 1.885 ( 0.000 3.150 0.000) 3.150 1.981 ( 0.000 6.122 0.000) 6.122 1.998 ( 0.000 3.174 0.000) 3.174 2.039 ( 0.000 5.200 0.000) 5.200 2.076 ( 0.000 1.984 0.000) 1.984 2.158 ( 0.000 1.780 0.000) 1.780 2.163 ( 0.000 4.901 0.000) 4.901 2.170 ( 0.000 -0.855 0.000) 0.855 2.289 ( 0.000 0.474 0.000) 0.474 2.312 ( 0.000 -3.072 0.000) 3.072 2.429 ( 0.000 4.494 0.000) 4.494 2.484 ( 0.000 3.237 0.000) 3.237 2.594 ( 0.000 -12.385 0.000) 12.385 2.707 ( 0.000 -2.049 0.000) 2.049 2.803 ( 0.000 1.684 0.000) 1.684 2.911 ( 0.000 -8.059 0.000) 8.059 3.067 ( 0.000 -2.633 0.000) 2.633 3.154 ( 0.000 -10.678 0.000) 10.678 3.328 ( 0.000 3.842 0.000) 3.842 3.361 ( 0.000 6.071 0.000) 6.071 3.486 ( 0.000 -2.098 0.000) 2.098 3.685 ( 0.000 -2.004 0.000) 2.004 3.702 ( 0.000 14.572 0.000) 14.572 3.716 ( 0.000 9.772 0.000) 9.772 3.907 ( 0.000 6.396 0.000) 6.396 3.948 ( 0.000 3.625 0.000) 3.625 4.169 ( 0.000 11.309 0.000) 11.309 4.222 ( 0.000 9.236 0.000) 9.236 4.223 ( 0.000 9.773 0.000) 9.773 4.424 ( 0.000 9.355 0.000) 9.355 4.766 ( 0.000 3.234 0.000) 3.234 4.776 ( 0.000 -3.902 0.000) 3.902 4.855 ( 0.000 -5.392 0.000) 5.392 5.117 ( 0.000 -13.186 0.000) 13.186 5.456 ( 0.000 0.751 0.000) 0.751 5.609 ( 0.000 -3.836 0.000) 3.836 5.614 ( 0.000 -3.552 0.000) 3.552 5.622 ( 0.000 -0.671 0.000) 0.671 5.819 ( 0.000 2.373 0.000) 2.373 6.012 ( 0.000 -2.003 0.000) 2.003 6.060 ( 0.000 8.956 0.000) 8.956 6.125 ( 0.000 8.422 0.000) 8.422 6.252 ( 0.000 4.258 0.000) 4.258 6.365 ( 0.000 5.006 0.000) 5.006 6.401 ( 0.000 -0.932 0.000) 0.932 6.526 ( 0.000 -0.900 0.000) 0.900 6.586 ( 0.000 2.831 0.000) 2.831 6.607 ( 0.000 -5.754 0.000) 5.754 6.641 ( 0.000 -2.683 0.000) 2.683 6.646 ( 0.000 1.404 0.000) 1.404 7.072 ( 0.000 2.802 0.000) 2.802 7.406 ( 0.000 -4.501 0.000) 4.501 7.477 ( 0.000 11.797 0.000) 11.797 7.482 ( 0.000 3.114 0.000) 3.114 7.525 ( 0.000 0.487 0.000) 0.487 7.647 ( 0.000 8.296 0.000) 8.296 7.733 ( 0.000 4.477 0.000) 4.477 7.947 ( 0.000 -0.145 0.000) 0.145 8.032 ( 0.000 4.262 0.000) 4.262 8.130 ( 0.000 4.826 0.000) 4.826 8.178 ( 0.000 2.390 0.000) 2.390 8.187 ( 0.000 -5.805 0.000) 5.805 8.253 ( 0.000 6.276 0.000) 6.276 8.263 ( 0.000 1.987 0.000) 1.987 8.473 ( 0.000 -3.486 0.000) 3.486 8.570 ( 0.000 -4.671 0.000) 4.671 8.711 ( 0.000 4.112 0.000) 4.112 8.724 ( 0.000 0.508 0.000) 0.508 8.815 ( 0.000 1.651 0.000) 1.651 8.882 ( 0.000 3.230 0.000) 3.230 9.042 ( 0.000 -2.627 0.000) 2.627 9.049 ( 0.000 -5.568 0.000) 5.568 9.151 ( 0.000 -6.834 0.000) 6.834 9.201 ( 0.000 -3.886 0.000) 3.886 ======================= Grid point 26 (17/63) ======================= q-point: ( 0.25 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( 12.629 1.452 0.000) 12.712 0.850 ( 14.435 -0.725 0.000) 14.453 1.184 ( -6.095 1.206 0.000) 6.213 1.318 ( -3.944 -0.977 0.000) 4.063 1.426 ( 0.631 -0.065 0.000) 0.635 1.454 ( 0.982 1.411 0.000) 1.720 1.514 ( -2.137 0.785 0.000) 2.277 1.543 ( -0.772 0.363 0.000) 0.854 1.779 ( 1.310 6.518 0.000) 6.648 1.798 ( 0.982 5.215 0.000) 5.307 1.902 ( 1.554 2.983 0.000) 3.363 1.951 ( -0.529 4.519 0.000) 4.550 2.028 ( -0.333 6.065 0.000) 6.074 2.051 ( -1.746 3.386 0.000) 3.810 2.116 ( 6.607 3.985 0.000) 7.715 2.141 ( 0.544 0.987 0.000) 1.127 2.171 ( 0.263 -0.046 0.000) 0.267 2.224 ( 2.399 2.505 0.000) 3.469 2.312 ( 0.322 -2.118 0.000) 2.143 2.327 ( 2.572 2.539 0.000) 3.614 2.438 ( 1.054 4.729 0.000) 4.845 2.479 ( 0.449 3.588 0.000) 3.616 2.607 ( 0.239 -9.204 0.000) 9.207 2.643 ( -5.189 -2.972 0.000) 5.980 2.810 ( 1.165 -2.056 0.000) 2.363 2.947 ( 1.324 -7.639 0.000) 7.753 3.110 ( -2.564 -10.897 0.000) 11.194 3.120 ( 3.089 -6.037 0.000) 6.782 3.354 ( 2.297 4.825 0.000) 5.344 3.398 ( 2.997 6.076 0.000) 6.775 3.492 ( 1.104 -0.889 0.000) 1.418 3.622 ( -5.696 -0.650 0.000) 5.733 3.728 ( 1.925 9.971 0.000) 10.155 3.753 ( 3.572 11.761 0.000) 12.292 3.838 ( -3.168 6.739 0.000) 7.447 3.964 ( -1.528 4.700 0.000) 4.942 4.183 ( 1.437 11.205 0.000) 11.296 4.231 ( 0.405 9.271 0.000) 9.280 4.237 ( 1.289 9.644 0.000) 9.730 4.378 ( -3.871 9.261 0.000) 10.037 4.764 ( 0.610 1.668 0.000) 1.776 4.788 ( 0.829 -2.653 0.000) 2.779 4.914 ( 4.632 -5.583 0.000) 7.254 5.110 ( -1.600 -12.064 0.000) 12.170 5.480 ( 3.049 -0.174 0.000) 3.054 5.613 ( 0.517 -3.559 0.000) 3.596 5.619 ( 0.875 -3.272 0.000) 3.387 5.656 ( 2.426 -1.416 0.000) 2.809 5.777 ( -3.514 1.344 0.000) 3.762 5.918 ( -11.347 4.475 0.000) 12.197 5.958 ( -3.723 -1.776 0.000) 4.125 6.052 ( -9.548 -0.599 0.000) 9.567 6.179 ( 1.009 8.399 0.000) 8.459 6.315 ( -7.598 5.046 0.000) 9.121 6.372 ( -0.725 3.838 0.000) 3.906 6.395 ( -1.743 4.000 0.000) 4.363 6.585 ( 2.444 1.102 0.000) 2.681 6.672 ( 1.018 2.647 0.000) 2.836 6.789 ( 8.704 -1.354 0.000) 8.808 6.856 ( 9.449 -4.409 0.000) 10.427 7.118 ( 5.775 3.696 0.000) 6.857 7.430 ( 2.140 -3.403 0.000) 4.020 7.434 ( -2.785 9.200 0.000) 9.613 7.480 ( 0.931 3.792 0.000) 3.904 7.564 ( 3.619 -2.381 0.000) 4.332 7.635 ( -7.175 3.630 0.000) 8.041 7.693 ( 0.825 8.221 0.000) 8.262 7.866 ( -9.284 2.327 0.000) 9.571 8.039 ( -4.388 -4.928 0.000) 6.598 8.066 ( 2.827 1.451 0.000) 3.178 8.136 ( -3.068 6.211 0.000) 6.927 8.187 ( 2.047 3.280 0.000) 3.867 8.256 ( 1.206 3.820 0.000) 4.006 8.318 ( 1.264 1.715 0.000) 2.131 8.506 ( 1.899 -2.337 0.000) 3.011 8.554 ( -1.218 -4.204 0.000) 4.377 8.704 ( 0.760 3.033 0.000) 3.127 8.781 ( -2.254 2.809 0.000) 3.601 8.787 ( 3.531 1.962 0.000) 4.040 8.882 ( -0.614 3.019 0.000) 3.081 9.045 ( 0.350 -3.523 0.000) 3.541 9.052 ( 0.164 -5.385 0.000) 5.387 9.166 ( 1.190 -6.439 0.000) 6.548 9.201 ( -0.073 -4.487 0.000) 4.488 ======================= Grid point 27 (18/63) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( -12.328 1.282 0.000) 12.394 0.979 ( 12.328 1.282 0.000) 12.394 1.147 ( -11.604 -0.751 0.000) 11.628 1.147 ( 11.604 -0.751 0.000) 11.628 1.460 ( -2.489 0.331 0.000) 2.511 1.460 ( 2.489 0.331 0.000) 2.511 1.503 ( -2.649 0.040 0.000) 2.649 1.503 ( 2.649 0.040 0.000) 2.649 1.804 ( -0.576 7.552 0.000) 7.574 1.804 ( 0.576 7.552 0.000) 7.574 1.937 ( -1.191 3.453 0.000) 3.653 1.937 ( 1.191 3.453 0.000) 3.653 2.025 ( -0.407 4.343 0.000) 4.362 2.025 ( 0.407 4.343 0.000) 4.362 2.160 ( -0.767 -0.776 0.000) 1.091 2.160 ( 0.767 -0.776 0.000) 1.091 2.234 ( -2.206 3.834 0.000) 4.423 2.234 ( 2.206 3.834 0.000) 4.423 2.335 ( -1.433 3.254 0.000) 3.556 2.335 ( 1.433 3.254 0.000) 3.556 2.496 ( -3.768 5.448 0.000) 6.624 2.496 ( 3.768 5.448 0.000) 6.624 2.565 ( -2.770 -6.333 0.000) 6.912 2.565 ( 2.770 -6.333 0.000) 6.912 2.883 ( -5.273 -7.631 0.000) 9.275 2.883 ( 5.273 -7.631 0.000) 9.275 3.128 ( -2.354 -9.701 0.000) 9.983 3.128 ( 2.354 -9.701 0.000) 9.983 3.424 ( -3.037 5.438 0.000) 6.228 3.424 ( 3.037 5.438 0.000) 6.228 3.514 ( -1.378 1.670 0.000) 2.165 3.514 ( 1.378 1.670 0.000) 2.165 3.782 ( -2.514 6.745 0.000) 7.198 3.782 ( 2.514 6.745 0.000) 7.198 3.867 ( -6.458 8.396 0.000) 10.593 3.867 ( 6.458 8.396 0.000) 10.593 4.221 ( -1.429 10.195 0.000) 10.295 4.221 ( 1.429 10.195 0.000) 10.295 4.288 ( -3.657 9.361 0.000) 10.050 4.288 ( 3.657 9.361 0.000) 10.050 4.790 ( -0.998 -0.411 0.000) 1.080 4.790 ( 0.998 -0.411 0.000) 1.080 5.028 ( -5.339 -8.172 0.000) 9.762 5.028 ( 5.339 -8.172 0.000) 9.762 5.600 ( -5.117 -3.748 0.000) 6.343 5.600 ( 5.117 -3.748 0.000) 6.343 5.666 ( -2.973 -1.617 0.000) 3.385 5.666 ( 2.973 -1.617 0.000) 3.385 5.718 ( -1.108 0.880 0.000) 1.414 5.718 ( 1.108 0.880 0.000) 1.414 5.913 ( -1.327 -1.727 0.000) 2.178 5.913 ( 1.327 -1.727 0.000) 2.178 6.209 ( -2.259 8.021 0.000) 8.333 6.209 ( 2.259 8.021 0.000) 8.333 6.373 ( -0.400 4.287 0.000) 4.305 6.373 ( 0.400 4.287 0.000) 4.305 6.648 ( -2.812 4.466 0.000) 5.277 6.648 ( 2.812 4.466 0.000) 5.277 6.919 ( -2.707 -3.191 0.000) 4.184 6.919 ( 2.707 -3.191 0.000) 4.184 7.343 ( -10.134 3.745 0.000) 10.804 7.343 ( 10.134 3.745 0.000) 10.804 7.444 ( -4.228 5.950 0.000) 7.299 7.444 ( 4.228 5.950 0.000) 7.299 7.621 ( -6.943 -1.936 0.000) 7.208 7.621 ( 6.943 -1.936 0.000) 7.208 7.669 ( -7.723 -0.619 0.000) 7.748 7.669 ( 7.723 -0.619 0.000) 7.748 8.029 ( -4.804 4.126 0.000) 6.333 8.029 ( 4.804 4.126 0.000) 6.333 8.176 ( -3.784 1.902 0.000) 4.235 8.176 ( 3.784 1.902 0.000) 4.235 8.305 ( -2.227 3.243 0.000) 3.934 8.305 ( 2.227 3.243 0.000) 3.934 8.532 ( -0.745 -2.749 0.000) 2.848 8.532 ( 0.745 -2.749 0.000) 2.848 8.735 ( -1.873 3.436 0.000) 3.913 8.735 ( 1.873 3.436 0.000) 3.913 8.851 ( -2.221 2.591 0.000) 3.412 8.851 ( 2.221 2.591 0.000) 3.412 9.052 ( -0.169 -4.730 0.000) 4.733 9.052 ( 0.169 -4.730 0.000) 4.733 9.191 ( -0.927 -5.558 0.000) 5.635 9.191 ( 0.927 -5.558 0.000) 5.635 ======================= Grid point 30 (19/63) ======================= q-point: ( 0.00 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( 0.000 2.211 0.000) 2.211 0.620 ( 0.000 -2.008 0.000) 2.008 1.273 ( 0.000 1.725 0.000) 1.725 1.311 ( 0.000 -1.933 0.000) 1.933 1.433 ( 0.000 1.251 0.000) 1.251 1.465 ( 0.000 -1.393 0.000) 1.393 1.553 ( 0.000 0.303 0.000) 0.303 1.556 ( 0.000 0.083 0.000) 0.083 1.835 ( 0.000 2.943 0.000) 2.943 1.889 ( 0.000 -1.932 0.000) 1.932 1.902 ( 0.000 7.143 0.000) 7.143 2.007 ( 0.000 -2.434 0.000) 2.434 2.088 ( 0.000 4.205 0.000) 4.205 2.117 ( 0.000 1.442 0.000) 1.442 2.117 ( 0.000 1.686 0.000) 1.686 2.157 ( 0.000 -2.508 0.000) 2.508 2.170 ( 0.000 1.364 0.000) 1.364 2.229 ( 0.000 4.729 0.000) 4.729 2.240 ( 0.000 -4.243 0.000) 4.243 2.296 ( 0.000 -0.972 0.000) 0.972 2.416 ( 0.000 -4.028 0.000) 4.028 2.420 ( 0.000 -2.468 0.000) 2.468 2.630 ( 0.000 7.856 0.000) 7.856 2.723 ( 0.000 5.438 0.000) 5.438 2.761 ( 0.000 -6.671 0.000) 6.671 2.903 ( 0.000 5.337 0.000) 5.337 2.921 ( 0.000 -11.944 0.000) 11.944 2.992 ( 0.000 -4.109 0.000) 4.109 3.402 ( 0.000 3.419 0.000) 3.419 3.451 ( 0.000 -1.497 0.000) 1.497 3.491 ( 0.000 6.550 0.000) 6.550 3.610 ( 0.000 -5.076 0.000) 5.076 3.878 ( 0.000 6.119 0.000) 6.119 3.909 ( 0.000 4.400 0.000) 4.400 3.994 ( 0.000 2.066 0.000) 2.066 3.998 ( 0.000 1.338 0.000) 1.338 4.339 ( 0.000 5.067 0.000) 5.067 4.356 ( 0.000 3.226 0.000) 3.226 4.398 ( 0.000 8.040 0.000) 8.040 4.513 ( 0.000 -1.643 0.000) 1.643 4.729 ( 0.000 0.192 0.000) 0.192 4.779 ( 0.000 -0.629 0.000) 0.629 4.796 ( 0.000 -0.384 0.000) 0.384 4.840 ( 0.000 -11.437 0.000) 11.437 5.499 ( 0.000 2.992 0.000) 2.992 5.559 ( 0.000 -2.727 0.000) 2.727 5.575 ( 0.000 -0.007 0.000) 0.007 5.594 ( 0.000 -1.591 0.000) 1.591 5.877 ( 0.000 3.482 0.000) 3.482 5.953 ( 0.000 -3.743 0.000) 3.743 6.200 ( 0.000 4.564 0.000) 4.564 6.233 ( 0.000 1.415 0.000) 1.415 6.383 ( 0.000 8.594 0.000) 8.594 6.417 ( 0.000 2.481 0.000) 2.481 6.454 ( 0.000 3.488 0.000) 3.488 6.500 ( 0.000 -4.753 0.000) 4.753 6.503 ( 0.000 -1.586 0.000) 1.586 6.549 ( 0.000 -6.516 0.000) 6.516 6.632 ( 0.000 1.679 0.000) 1.679 6.654 ( 0.000 -0.472 0.000) 0.472 7.146 ( 0.000 4.814 0.000) 4.814 7.267 ( 0.000 -7.149 0.000) 7.149 7.531 ( 0.000 1.775 0.000) 1.775 7.548 ( 0.000 0.285 0.000) 0.285 7.691 ( 0.000 8.701 0.000) 8.701 7.767 ( 0.000 2.197 0.000) 2.197 7.818 ( 0.000 4.028 0.000) 4.028 7.899 ( 0.000 -4.058 0.000) 4.058 8.073 ( 0.000 0.342 0.000) 0.342 8.092 ( 0.000 -2.873 0.000) 2.873 8.192 ( 0.000 1.674 0.000) 1.674 8.205 ( 0.000 0.300 0.000) 0.300 8.312 ( 0.000 3.149 0.000) 3.149 8.372 ( 0.000 5.534 0.000) 5.534 8.390 ( 0.000 -4.410 0.000) 4.410 8.475 ( 0.000 -4.828 0.000) 4.828 8.751 ( 0.000 1.859 0.000) 1.859 8.771 ( 0.000 0.982 0.000) 0.982 8.854 ( 0.000 2.251 0.000) 2.251 8.899 ( 0.000 -1.705 0.000) 1.705 8.974 ( 0.000 -0.777 0.000) 0.777 9.027 ( 0.000 -5.153 0.000) 5.153 9.042 ( 0.000 2.949 0.000) 2.949 9.120 ( 0.000 -4.177 0.000) 4.177 ======================= Grid point 31 (20/63) ======================= q-point: ( 0.25 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( 12.910 3.222 0.000) 13.306 0.809 ( 13.818 -3.108 0.000) 14.163 1.224 ( -5.382 2.680 0.000) 6.012 1.281 ( -4.121 -2.651 0.000) 4.900 1.428 ( 0.426 0.600 0.000) 0.736 1.451 ( -0.053 -1.251 0.000) 1.252 1.526 ( -2.264 0.553 0.000) 2.331 1.538 ( -1.745 -0.579 0.000) 1.839 1.884 ( 3.616 3.376 0.000) 4.947 1.924 ( 1.556 7.023 0.000) 7.193 1.926 ( 2.785 -0.578 0.000) 2.845 2.007 ( -0.177 -0.009 0.000) 0.177 2.108 ( -0.777 1.667 0.000) 1.839 2.113 ( -0.851 2.198 0.000) 2.357 2.120 ( 1.312 -0.882 0.000) 1.580 2.142 ( -0.599 -0.863 0.000) 1.050 2.242 ( 6.495 3.742 0.000) 7.496 2.256 ( 1.969 3.038 0.000) 3.620 2.275 ( 3.059 -1.183 0.000) 3.280 2.332 ( 2.853 -2.813 0.000) 4.006 2.413 ( -0.235 -2.332 0.000) 2.344 2.459 ( 3.957 -5.687 0.000) 6.928 2.622 ( -3.955 7.895 0.000) 8.830 2.649 ( -2.218 3.792 0.000) 4.393 2.808 ( 1.029 -5.316 0.000) 5.415 2.880 ( -2.408 6.046 0.000) 6.508 2.884 ( -0.965 -10.801 0.000) 10.844 2.997 ( -0.394 -5.879 0.000) 5.892 3.429 ( 2.499 2.987 0.000) 3.894 3.474 ( 2.154 -1.382 0.000) 2.559 3.508 ( 1.088 4.845 0.000) 4.966 3.586 ( -2.333 -2.886 0.000) 3.711 3.882 ( 0.605 6.110 0.000) 6.140 3.925 ( 1.274 3.201 0.000) 3.445 3.951 ( -2.175 4.491 0.000) 4.990 4.006 ( -0.927 -0.595 0.000) 1.102 4.351 ( 1.137 4.943 0.000) 5.072 4.367 ( 1.058 3.177 0.000) 3.349 4.397 ( -0.355 6.986 0.000) 6.995 4.479 ( -2.868 0.110 0.000) 2.870 4.759 ( 2.302 0.688 0.000) 2.402 4.782 ( 0.305 0.561 0.000) 0.638 4.815 ( 2.145 -3.246 0.000) 3.891 4.862 ( 1.456 -10.132 0.000) 10.236 5.505 ( 1.189 2.561 0.000) 2.824 5.564 ( 0.882 -2.926 0.000) 3.056 5.586 ( 0.836 0.484 0.000) 0.966 5.616 ( 1.418 -2.111 0.000) 2.543 5.825 ( -3.973 3.395 0.000) 5.226 5.900 ( -3.709 -3.696 0.000) 5.236 5.987 ( -13.648 2.784 0.000) 13.929 6.033 ( -12.281 -1.672 0.000) 12.395 6.347 ( 0.261 7.326 0.000) 7.331 6.400 ( -4.265 2.962 0.000) 5.193 6.423 ( -1.413 0.830 0.000) 1.638 6.439 ( -1.400 -1.141 0.000) 1.806 6.635 ( 8.705 4.675 0.000) 9.881 6.718 ( 3.525 2.064 0.000) 4.085 6.750 ( 9.341 -6.000 0.000) 11.102 6.756 ( 6.323 -1.801 0.000) 6.575 7.202 ( 6.215 4.858 0.000) 7.888 7.315 ( 5.396 -6.347 0.000) 8.331 7.529 ( -0.147 1.419 0.000) 1.427 7.547 ( 1.348 -0.451 0.000) 1.421 7.594 ( -6.108 6.431 0.000) 8.869 7.674 ( -5.805 -0.888 0.000) 5.872 7.812 ( -10.206 4.368 0.000) 11.102 7.898 ( -12.948 -2.426 0.000) 13.173 7.973 ( 5.248 2.098 0.000) 5.652 8.048 ( 5.167 -2.977 0.000) 5.964 8.218 ( -0.539 1.839 0.000) 1.916 8.226 ( 1.229 0.728 0.000) 1.429 8.351 ( -0.639 5.529 0.000) 5.565 8.366 ( 2.186 3.171 0.000) 3.852 8.441 ( 2.288 -3.907 0.000) 4.527 8.460 ( -0.841 -5.138 0.000) 5.207 8.768 ( 1.685 3.306 0.000) 3.711 8.817 ( 3.129 -0.458 0.000) 3.162 8.839 ( -1.171 3.066 0.000) 3.282 8.898 ( -0.355 -2.190 0.000) 2.219 8.982 ( 0.767 -0.107 0.000) 0.774 9.030 ( -1.018 2.757 0.000) 2.939 9.046 ( 1.557 -5.237 0.000) 5.463 9.111 ( -0.851 -4.532 0.000) 4.611 ======================= Grid point 32 (21/63) ======================= q-point: (-0.50 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( -12.110 3.425 0.000) 12.585 1.029 ( 12.110 3.425 0.000) 12.585 1.102 ( -11.875 -3.424 0.000) 12.358 1.102 ( 11.875 -3.424 0.000) 12.358 1.467 ( -2.793 0.629 0.000) 2.863 1.467 ( 2.793 0.629 0.000) 2.863 1.487 ( -2.647 -1.210 0.000) 2.910 1.487 ( 2.647 -1.210 0.000) 2.910 1.940 ( -0.759 5.191 0.000) 5.247 1.940 ( 0.759 5.191 0.000) 5.247 1.984 ( -2.153 0.708 0.000) 2.267 1.984 ( 2.153 0.708 0.000) 2.267 2.094 ( -0.121 2.569 0.000) 2.572 2.094 ( 0.121 2.569 0.000) 2.572 2.135 ( -0.326 -1.668 0.000) 1.699 2.135 ( 0.326 -1.668 0.000) 1.699 2.288 ( -0.455 3.054 0.000) 3.088 2.288 ( 0.455 3.054 0.000) 3.088 2.386 ( -1.159 -5.964 0.000) 6.076 2.386 ( 1.159 -5.964 0.000) 6.076 2.456 ( -8.866 6.331 0.000) 10.894 2.456 ( 8.866 6.331 0.000) 10.894 2.586 ( -6.158 -3.584 0.000) 7.125 2.586 ( 6.158 -3.584 0.000) 7.125 2.811 ( -2.649 3.543 0.000) 4.424 2.811 ( 2.649 3.543 0.000) 4.424 2.948 ( -3.966 -8.234 0.000) 9.139 2.948 ( 3.966 -8.234 0.000) 9.139 3.498 ( -3.108 2.368 0.000) 3.907 3.498 ( 3.108 2.368 0.000) 3.907 3.526 ( -2.179 -0.478 0.000) 2.231 3.526 ( 2.179 -0.478 0.000) 2.231 3.909 ( -1.699 5.398 0.000) 5.659 3.909 ( 1.699 5.398 0.000) 5.659 3.964 ( -2.349 0.788 0.000) 2.477 3.964 ( 2.349 0.788 0.000) 2.477 4.379 ( -1.215 5.176 0.000) 5.317 4.379 ( 1.215 5.176 0.000) 5.317 4.410 ( -2.961 2.413 0.000) 3.820 4.410 ( 2.961 2.413 0.000) 3.820 4.792 ( -0.136 1.136 0.000) 1.144 4.792 ( 0.136 1.136 0.000) 1.144 4.866 ( -1.587 -6.638 0.000) 6.825 4.866 ( 1.587 -6.638 0.000) 6.825 5.570 ( -3.538 0.772 0.000) 3.622 5.570 ( 3.538 0.772 0.000) 3.622 5.611 ( -2.505 -2.927 0.000) 3.853 5.611 ( 2.505 -2.927 0.000) 3.853 5.780 ( -2.649 4.017 0.000) 4.812 5.780 ( 2.649 4.017 0.000) 4.812 5.858 ( -1.849 -3.577 0.000) 4.027 5.858 ( 1.849 -3.577 0.000) 4.027 6.353 ( -0.595 5.665 0.000) 5.696 6.353 ( 0.595 5.665 0.000) 5.696 6.417 ( -0.613 -0.442 0.000) 0.756 6.417 ( 0.613 -0.442 0.000) 0.756 6.743 ( -1.583 5.049 0.000) 5.291 6.743 ( 1.583 5.049 0.000) 5.291 6.841 ( -0.765 -4.490 0.000) 4.555 6.841 ( 0.765 -4.490 0.000) 4.555 7.423 ( -11.303 4.444 0.000) 12.145 7.423 ( 11.303 4.444 0.000) 12.145 7.514 ( -12.317 -2.963 0.000) 12.668 7.514 ( 12.317 -2.963 0.000) 12.668 7.567 ( -4.058 2.252 0.000) 4.641 7.567 ( 4.058 2.252 0.000) 4.641 7.637 ( -8.380 -2.964 0.000) 8.889 7.637 ( 8.380 -2.964 0.000) 8.889 8.125 ( -6.923 4.360 0.000) 8.181 8.125 ( 6.923 4.360 0.000) 8.181 8.181 ( -5.236 -1.245 0.000) 5.382 8.181 ( 5.236 -1.245 0.000) 5.382 8.374 ( -1.293 3.853 0.000) 4.064 8.374 ( 1.293 3.853 0.000) 4.064 8.458 ( -0.288 -4.289 0.000) 4.299 8.458 ( 0.288 -4.289 0.000) 4.299 8.808 ( -1.706 3.769 0.000) 4.137 8.808 ( 1.706 3.769 0.000) 4.137 8.875 ( -1.903 -1.826 0.000) 2.637 8.875 ( 1.903 -1.826 0.000) 2.637 9.004 ( -1.210 1.569 0.000) 1.981 9.004 ( 1.210 1.569 0.000) 1.981 9.083 ( -1.632 -5.089 0.000) 5.344 9.083 ( 1.632 -5.089 0.000) 5.344 ======================= Grid point 65 (22/63) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.361 ( 0.000 0.000 17.702) 17.702 0.422 ( 0.000 0.000 20.937) 20.937 0.680 ( 0.000 0.000 10.812) 10.812 0.822 ( 0.000 0.000 27.463) 27.463 0.882 ( 0.000 0.000 -5.317) 5.317 0.983 ( 0.000 0.000 1.133) 1.133 1.006 ( 0.000 0.000 7.266) 7.266 1.006 ( 0.000 0.000 -0.345) 0.345 1.216 ( 0.000 0.000 -0.151) 0.151 1.270 ( 0.000 0.000 3.231) 3.231 1.328 ( 0.000 0.000 -2.055) 2.055 1.348 ( 0.000 0.000 4.264) 4.264 1.485 ( 0.000 0.000 -2.912) 2.912 1.617 ( 0.000 0.000 -11.786) 11.786 1.633 ( 0.000 0.000 -0.596) 0.596 1.675 ( 0.000 0.000 -7.601) 7.601 1.746 ( 0.000 0.000 -2.469) 2.469 1.796 ( 0.000 0.000 3.681) 3.681 1.915 ( 0.000 0.000 2.178) 2.178 1.927 ( 0.000 0.000 2.006) 2.006 1.934 ( 0.000 0.000 1.709) 1.709 1.939 ( 0.000 0.000 0.602) 0.602 2.116 ( 0.000 0.000 1.764) 1.764 2.168 ( 0.000 0.000 -0.726) 0.726 2.338 ( 0.000 0.000 -22.989) 22.989 2.458 ( 0.000 0.000 -10.961) 10.961 2.857 ( 0.000 0.000 1.421) 1.421 3.090 ( 0.000 0.000 0.980) 0.980 3.170 ( 0.000 0.000 -10.085) 10.085 3.205 ( 0.000 0.000 0.290) 0.290 3.315 ( 0.000 0.000 3.406) 3.406 3.316 ( 0.000 0.000 1.683) 1.683 3.647 ( 0.000 0.000 6.433) 6.433 3.808 ( 0.000 0.000 6.185) 6.185 3.842 ( 0.000 0.000 -1.336) 1.336 3.931 ( 0.000 0.000 7.482) 7.482 4.080 ( 0.000 0.000 8.688) 8.688 4.217 ( 0.000 0.000 2.360) 2.360 4.238 ( 0.000 0.000 -9.399) 9.399 4.254 ( 0.000 0.000 -1.465) 1.465 4.365 ( 0.000 0.000 -4.492) 4.492 4.446 ( 0.000 0.000 -2.623) 2.623 4.865 ( 0.000 0.000 1.669) 1.669 4.975 ( 0.000 0.000 -3.029) 3.029 5.136 ( 0.000 0.000 10.250) 10.250 5.198 ( 0.000 0.000 1.454) 1.454 5.251 ( 0.000 0.000 -0.854) 0.854 5.563 ( 0.000 0.000 -6.861) 6.861 5.721 ( 0.000 0.000 -0.941) 0.941 5.802 ( 0.000 0.000 -0.690) 0.690 5.860 ( 0.000 0.000 5.174) 5.174 6.035 ( 0.000 0.000 -0.375) 0.375 6.072 ( 0.000 0.000 -0.409) 0.409 6.119 ( 0.000 0.000 0.716) 0.716 6.122 ( 0.000 0.000 -5.026) 5.026 6.226 ( 0.000 0.000 -2.217) 2.217 6.313 ( 0.000 0.000 7.052) 7.052 6.313 ( 0.000 0.000 7.588) 7.588 6.530 ( 0.000 0.000 -0.841) 0.841 6.627 ( 0.000 0.000 -6.128) 6.128 6.663 ( 0.000 0.000 -1.742) 1.742 6.689 ( 0.000 0.000 -5.844) 5.844 6.935 ( 0.000 0.000 7.111) 7.111 7.143 ( 0.000 0.000 -3.092) 3.092 7.162 ( 0.000 0.000 0.674) 0.674 7.193 ( 0.000 0.000 -0.425) 0.425 7.282 ( 0.000 0.000 2.218) 2.218 7.317 ( 0.000 0.000 0.867) 0.867 7.492 ( 0.000 0.000 -0.369) 0.369 7.497 ( 0.000 0.000 -0.715) 0.715 7.834 ( 0.000 0.000 -1.794) 1.794 7.854 ( 0.000 0.000 -2.226) 2.226 8.241 ( 0.000 0.000 4.917) 4.917 8.413 ( 0.000 0.000 -2.732) 2.732 8.465 ( 0.000 0.000 0.684) 0.684 8.543 ( 0.000 0.000 -2.728) 2.728 8.728 ( 0.000 0.000 1.371) 1.371 8.772 ( 0.000 0.000 -0.893) 0.893 8.952 ( 0.000 0.000 1.109) 1.109 8.983 ( 0.000 0.000 0.023) 0.023 9.401 ( 0.000 0.000 -0.596) 0.596 9.462 ( 0.000 0.000 -2.749) 2.749 9.628 ( 0.000 0.000 3.064) 3.064 9.678 ( 0.000 0.000 0.715) 0.715 ======================= Grid point 66 (23/63) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( 12.173 0.000 11.972) 17.073 0.627 ( 14.072 0.000 13.784) 19.699 0.873 ( 12.984 0.000 -1.830) 13.113 0.883 ( -0.231 0.000 -3.478) 3.486 0.964 ( -1.049 0.000 1.375) 1.729 1.010 ( -0.537 0.000 -0.928) 1.072 1.098 ( 7.393 0.000 8.710) 11.425 1.169 ( -1.582 0.000 0.964) 1.853 1.190 ( 9.372 0.000 13.346) 16.308 1.357 ( 0.798 0.000 4.486) 4.556 1.436 ( 3.221 0.000 -0.919) 3.349 1.494 ( 8.424 0.000 3.363) 9.071 1.506 ( -1.950 0.000 -3.000) 3.578 1.533 ( -7.503 0.000 3.884) 8.448 1.664 ( -0.108 0.000 -8.678) 8.679 1.720 ( -1.938 0.000 -4.340) 4.753 1.750 ( -2.172 0.000 3.418) 4.050 1.833 ( 9.301 0.000 -2.977) 9.765 1.971 ( 2.646 0.000 1.107) 2.868 1.978 ( 3.721 0.000 1.549) 4.030 1.985 ( 2.687 0.000 0.016) 2.687 2.117 ( 0.122 0.000 1.561) 1.566 2.118 ( 11.387 0.000 -14.395) 18.354 2.154 ( -1.228 0.000 -0.229) 1.250 2.399 ( -0.995 0.000 -11.277) 11.321 2.434 ( 6.653 0.000 -19.958) 21.037 2.664 ( -16.790 0.000 4.238) 17.317 3.024 ( -8.887 0.000 -10.545) 13.790 3.212 ( 5.778 0.000 -2.917) 6.473 3.247 ( 2.323 0.000 -2.536) 3.439 3.314 ( 3.892 0.000 2.435) 4.591 3.466 ( 0.485 0.000 -7.500) 7.516 3.752 ( -5.281 0.000 3.622) 6.404 3.776 ( 0.999 0.000 2.140) 2.362 3.846 ( 11.341 0.000 -5.580) 12.639 3.974 ( 1.879 0.000 6.613) 6.875 4.014 ( -3.285 0.000 9.024) 9.603 4.197 ( -2.725 0.000 -7.223) 7.720 4.248 ( 2.613 0.000 1.961) 3.267 4.318 ( 3.120 0.000 -3.904) 4.998 4.355 ( -1.056 0.000 -2.773) 2.968 4.446 ( -1.112 0.000 -3.645) 3.811 4.851 ( -0.942 0.000 0.749) 1.203 4.903 ( -3.941 0.000 -0.633) 3.991 5.164 ( -0.944 0.000 4.545) 4.642 5.245 ( 7.277 0.000 5.998) 9.430 5.264 ( -2.195 0.000 2.513) 3.336 5.521 ( -3.918 0.000 -3.596) 5.318 5.599 ( -7.044 0.000 13.074) 14.851 5.726 ( 0.655 0.000 -2.865) 2.939 5.770 ( -7.417 0.000 1.822) 7.638 5.786 ( -1.406 0.000 -1.997) 2.443 6.089 ( 3.105 0.000 1.792) 3.585 6.121 ( 1.288 0.000 3.377) 3.614 6.209 ( -2.432 0.000 0.679) 2.525 6.243 ( -1.456 0.000 5.353) 5.547 6.342 ( 4.390 0.000 -1.444) 4.621 6.493 ( 0.338 0.000 -0.795) 0.864 6.580 ( -4.090 0.000 -5.869) 7.153 6.587 ( -5.024 0.000 -1.341) 5.200 6.672 ( 11.485 0.000 -8.240) 14.136 6.755 ( 5.493 0.000 -6.844) 8.776 7.023 ( 3.728 0.000 5.963) 7.033 7.083 ( -0.095 0.000 1.082) 1.087 7.277 ( 8.091 0.000 -2.242) 8.396 7.292 ( 0.819 0.000 1.972) 2.136 7.316 ( -0.108 0.000 1.065) 1.071 7.369 ( 9.029 0.000 -4.187) 9.953 7.493 ( 0.112 0.000 -0.442) 0.456 7.497 ( -0.017 0.000 -0.681) 0.682 7.686 ( -9.794 0.000 4.896) 10.950 7.809 ( -6.057 0.000 -2.293) 6.476 8.202 ( -1.647 0.000 3.396) 3.774 8.350 ( -5.826 0.000 -2.367) 6.288 8.410 ( -1.739 0.000 -1.259) 2.147 8.488 ( -3.978 0.000 -4.228) 5.805 8.718 ( 0.834 0.000 5.241) 5.307 8.758 ( 0.321 0.000 1.233) 1.274 8.951 ( -0.016 0.000 1.019) 1.019 8.975 ( -0.700 0.000 0.114) 0.709 9.380 ( -0.755 0.000 3.216) 3.304 9.411 ( -0.701 0.000 0.568) 0.902 9.640 ( 0.526 0.000 2.153) 2.216 9.665 ( -0.254 0.000 0.244) 0.352 ======================= Grid point 67 (24/63) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( -7.200 0.000 2.179) 7.522 0.822 ( 7.200 0.000 2.179) 7.522 0.913 ( -11.801 0.000 7.856) 14.176 0.913 ( 11.801 0.000 7.856) 14.176 0.970 ( -2.067 0.000 0.029) 2.067 0.970 ( 2.067 0.000 0.029) 2.067 1.095 ( -5.163 0.000 0.596) 5.197 1.095 ( 5.163 0.000 0.596) 5.197 1.398 ( -3.838 0.000 5.328) 6.567 1.398 ( 3.838 0.000 5.328) 6.567 1.400 ( -5.160 0.000 -2.822) 5.881 1.400 ( 5.160 0.000 -2.822) 5.881 1.612 ( -6.079 0.000 6.217) 8.695 1.612 ( 6.079 0.000 6.217) 8.695 1.680 ( -1.506 0.000 -6.788) 6.953 1.680 ( 1.506 0.000 -6.788) 6.953 1.901 ( -10.711 0.000 4.037) 11.446 1.901 ( 10.711 0.000 4.037) 11.446 2.013 ( -0.521 0.000 0.031) 0.522 2.013 ( 0.521 0.000 0.031) 0.522 2.041 ( -11.296 0.000 4.874) 12.302 2.041 ( 11.296 0.000 4.874) 12.302 2.126 ( -0.952 0.000 0.912) 1.318 2.126 ( 0.952 0.000 0.912) 1.318 2.384 ( -2.755 0.000 -6.885) 7.416 2.384 ( 2.755 0.000 -6.885) 7.416 2.737 ( -15.897 0.000 -18.556) 24.435 2.737 ( 15.897 0.000 -18.556) 24.435 3.306 ( -2.463 0.000 -1.529) 2.899 3.306 ( 2.463 0.000 -1.529) 2.899 3.398 ( -4.343 0.000 -4.302) 6.112 3.398 ( 4.343 0.000 -4.302) 6.112 3.709 ( -3.060 0.000 8.079) 8.639 3.709 ( 3.060 0.000 8.079) 8.639 3.982 ( -0.901 0.000 8.276) 8.325 3.982 ( 0.901 0.000 8.276) 8.325 4.094 ( -7.244 0.000 -11.100) 13.255 4.094 ( 7.244 0.000 -11.100) 13.255 4.312 ( -2.843 0.000 0.327) 2.862 4.312 ( 2.843 0.000 0.327) 2.862 4.388 ( -3.413 0.000 -3.304) 4.750 4.388 ( 3.413 0.000 -3.304) 4.750 4.847 ( -1.048 0.000 -0.469) 1.148 4.847 ( 1.048 0.000 -0.469) 1.148 5.187 ( -2.996 0.000 7.034) 7.646 5.187 ( 2.996 0.000 7.034) 7.646 5.402 ( -6.773 0.000 1.696) 6.982 5.402 ( 6.773 0.000 1.696) 6.982 5.626 ( -5.359 0.000 1.583) 5.587 5.626 ( 5.359 0.000 1.583) 5.587 5.751 ( -1.568 0.000 -3.713) 4.030 5.751 ( 1.568 0.000 -3.713) 4.030 6.152 ( -2.730 0.000 2.119) 3.456 6.152 ( 2.730 0.000 2.119) 3.456 6.178 ( -3.501 0.000 6.404) 7.299 6.178 ( 3.501 0.000 6.404) 7.299 6.466 ( -6.036 0.000 -5.104) 7.905 6.466 ( 6.036 0.000 -5.104) 7.905 6.502 ( -2.052 0.000 -0.532) 2.120 6.502 ( 2.052 0.000 -0.532) 2.120 6.838 ( -1.588 0.000 -6.561) 6.751 6.838 ( 1.588 0.000 -6.561) 6.751 7.052 ( -2.367 0.000 1.556) 2.833 7.052 ( 2.367 0.000 1.556) 2.833 7.309 ( -0.599 0.000 1.502) 1.617 7.309 ( 0.599 0.000 1.502) 1.617 7.458 ( -9.125 0.000 3.775) 9.875 7.458 ( 9.125 0.000 3.775) 9.875 7.496 ( -0.099 0.000 -0.582) 0.590 7.496 ( 0.099 0.000 -0.582) 0.590 7.615 ( -11.037 0.000 -1.075) 11.090 7.615 ( 11.037 0.000 -1.075) 11.090 8.232 ( -4.437 0.000 0.154) 4.439 8.232 ( 4.437 0.000 0.154) 4.439 8.414 ( -2.267 0.000 -5.432) 5.886 8.414 ( 2.267 0.000 -5.432) 5.886 8.752 ( -1.300 0.000 3.349) 3.593 8.752 ( 1.300 0.000 3.349) 3.593 8.958 ( -0.712 0.000 0.491) 0.865 8.958 ( 0.712 0.000 0.491) 0.865 9.393 ( -1.094 0.000 1.911) 2.202 9.393 ( 1.094 0.000 1.911) 2.202 9.655 ( -0.741 0.000 0.508) 0.898 9.655 ( 0.741 0.000 0.508) 0.898 ======================= Grid point 70 (25/63) ======================= q-point: ( 0.00 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.482 ( 0.000 6.806 7.602) 10.204 0.557 ( 0.000 14.336 9.366) 17.124 0.715 ( 0.000 -1.487 0.221) 1.504 0.965 ( 0.000 6.751 4.270) 7.988 1.076 ( 0.000 10.148 -0.734) 10.175 1.110 ( 0.000 13.304 5.639) 14.450 1.137 ( 0.000 17.223 10.279) 20.057 1.150 ( 0.000 12.726 -1.214) 12.784 1.218 ( 0.000 5.818 6.780) 8.934 1.265 ( 0.000 2.137 2.018) 2.939 1.321 ( 0.000 0.073 -3.159) 3.160 1.458 ( 0.000 -1.276 -2.329) 2.656 1.558 ( 0.000 -5.918 -4.943) 7.710 1.578 ( 0.000 -0.801 -10.782) 10.812 1.657 ( 0.000 16.049 -3.379) 16.400 1.763 ( 0.000 1.907 0.475) 1.966 1.813 ( 0.000 10.037 1.695) 10.179 1.874 ( 0.000 7.392 -1.346) 7.513 1.902 ( 0.000 1.349 2.969) 3.261 1.971 ( 0.000 3.822 3.020) 4.871 2.003 ( 0.000 3.551 -0.230) 3.559 2.127 ( 0.000 12.244 1.244) 12.307 2.238 ( 0.000 9.115 -0.756) 9.146 2.249 ( 0.000 11.371 3.697) 11.957 2.449 ( 0.000 11.624 -22.516) 25.339 2.497 ( 0.000 7.305 -5.024) 8.866 2.872 ( 0.000 2.369 2.805) 3.672 3.079 ( 0.000 -0.678 1.409) 1.564 3.189 ( 0.000 2.262 -7.183) 7.531 3.213 ( 0.000 1.376 -0.738) 1.561 3.267 ( 0.000 -0.968 -0.736) 1.216 3.269 ( 0.000 -3.831 2.396) 4.519 3.560 ( 0.000 -4.726 4.276) 6.373 3.739 ( 0.000 -5.410 4.840) 7.259 3.763 ( 0.000 -7.333 -0.983) 7.399 3.851 ( 0.000 -6.384 5.173) 8.217 4.010 ( 0.000 -4.455 7.348) 8.593 4.060 ( 0.000 -7.209 -1.494) 7.363 4.158 ( 0.000 -7.664 -0.923) 7.720 4.335 ( 0.000 -6.935 -2.288) 7.302 4.414 ( 0.000 14.081 3.479) 14.505 4.685 ( 0.000 14.704 -9.399) 17.451 5.010 ( 0.000 4.851 -1.324) 5.028 5.049 ( 0.000 4.903 -1.653) 5.174 5.139 ( 0.000 -4.139 2.006) 4.600 5.210 ( 0.000 4.518 0.115) 4.520 5.274 ( 0.000 6.191 4.818) 7.845 5.584 ( 0.000 2.276 -6.315) 6.712 5.834 ( 0.000 2.432 0.214) 2.441 5.837 ( 0.000 9.839 -1.387) 9.936 5.956 ( 0.000 5.307 2.092) 5.705 5.995 ( 0.000 3.364 8.063) 8.736 6.080 ( 0.000 4.333 -3.874) 5.812 6.111 ( 0.000 5.763 1.827) 6.045 6.214 ( 0.000 -0.349 -4.737) 4.750 6.248 ( 0.000 -2.795 7.897) 8.377 6.259 ( 0.000 2.704 -0.169) 2.710 6.532 ( 0.000 -0.658 7.530) 7.559 6.552 ( 0.000 -3.326 -6.392) 7.205 6.699 ( 0.000 3.984 -2.474) 4.690 6.764 ( 0.000 17.776 -12.798) 21.904 6.810 ( 0.000 9.416 -3.763) 10.141 6.918 ( 0.000 0.762 2.869) 2.969 7.118 ( 0.000 -2.001 -4.469) 4.896 7.165 ( 0.000 0.935 1.114) 1.455 7.203 ( 0.000 3.633 0.718) 3.704 7.432 ( 0.000 1.220 -1.343) 1.815 7.432 ( 0.000 11.282 0.211) 11.284 7.477 ( 0.000 4.406 -2.493) 5.063 7.517 ( 0.000 2.348 -2.141) 3.178 7.876 ( 0.000 4.003 -1.666) 4.336 7.889 ( 0.000 2.507 -2.130) 3.290 8.240 ( 0.000 -0.341 5.162) 5.173 8.423 ( 0.000 0.587 -3.663) 3.710 8.458 ( 0.000 -0.198 0.350) 0.402 8.520 ( 0.000 -1.804 -2.732) 3.274 8.704 ( 0.000 -1.920 2.290) 2.989 8.728 ( 0.000 -2.293 4.413) 4.974 8.927 ( 0.000 -2.269 0.932) 2.453 8.964 ( 0.000 -1.899 -0.230) 1.913 9.347 ( 0.000 -6.390 3.656) 7.362 9.377 ( 0.000 -2.342 -1.178) 2.622 9.596 ( 0.000 -3.021 2.952) 4.224 9.638 ( 0.000 -3.085 0.449) 3.117 ======================= Grid point 71 (26/63) ======================= q-point: ( 0.25 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( 11.034 9.621 7.158) 16.296 0.753 ( 14.578 4.696 3.757) 15.770 0.858 ( 8.476 1.845 0.485) 8.688 1.010 ( -2.315 7.107 -2.051) 7.751 1.095 ( -1.254 7.993 1.594) 8.246 1.106 ( -2.180 8.249 1.693) 8.698 1.197 ( 1.416 8.531 -0.481) 8.661 1.216 ( 0.114 7.572 1.280) 7.680 1.308 ( 9.001 11.757 9.420) 17.550 1.390 ( 4.200 -1.084 -4.127) 5.987 1.401 ( 5.104 -0.968 2.025) 5.576 1.459 ( 1.918 -0.078 0.651) 2.027 1.529 ( 1.519 -0.243 -0.061) 1.539 1.646 ( 1.250 3.052 -3.311) 4.673 1.656 ( 1.544 12.523 2.741) 12.912 1.773 ( 0.965 2.019 -2.234) 3.162 1.835 ( 3.263 4.589 -2.413) 6.126 1.873 ( 1.428 4.621 0.890) 4.918 1.948 ( 5.125 2.056 0.581) 5.552 1.994 ( 0.293 2.104 4.066) 4.587 2.026 ( 1.591 3.209 1.391) 3.843 2.201 ( 1.670 10.974 -3.334) 11.590 2.226 ( 0.240 8.819 -0.688) 8.849 2.306 ( 4.962 11.150 -1.526) 12.299 2.476 ( -2.333 7.150 -4.679) 8.858 2.517 ( 6.847 9.824 -20.195) 23.478 2.699 ( -14.507 4.550 4.133) 15.755 3.037 ( -7.612 2.037 -8.744) 11.770 3.212 ( 5.539 0.273 -1.603) 5.773 3.235 ( 1.089 -0.702 -2.173) 2.530 3.291 ( 4.323 -1.088 0.892) 4.546 3.406 ( 4.142 -5.225 -5.530) 8.662 3.605 ( 6.950 -9.907 2.744) 12.409 3.678 ( -4.893 -6.819 1.811) 8.586 3.726 ( -1.407 -5.526 7.212) 9.194 3.891 ( 1.538 -6.746 2.149) 7.245 3.963 ( -2.510 -3.955 7.782) 9.083 4.029 ( -3.053 -8.947 0.684) 9.479 4.187 ( 1.955 -6.850 -2.783) 7.648 4.296 ( -2.660 -5.821 -2.848) 7.005 4.473 ( 4.454 11.995 3.183) 13.185 4.665 ( -2.172 14.819 -5.145) 15.836 4.953 ( -2.547 3.422 -2.069) 4.741 5.012 ( -3.439 4.385 -4.735) 7.312 5.203 ( 4.912 4.553 3.629) 7.617 5.289 ( 5.064 6.095 0.193) 7.926 5.344 ( 6.238 3.849 2.907) 7.886 5.541 ( -3.642 3.168 -2.153) 5.286 5.675 ( -12.299 8.477 6.820) 16.420 5.786 ( -7.328 7.316 -0.862) 10.390 5.861 ( -0.342 5.516 -0.342) 5.537 5.890 ( -3.680 5.906 0.129) 6.960 6.089 ( 0.791 1.828 0.747) 2.127 6.172 ( -2.092 3.255 -1.327) 4.091 6.220 ( 1.173 -0.927 2.934) 3.293 6.242 ( 0.681 -3.898 2.023) 4.445 6.319 ( 5.383 4.984 -0.721) 7.371 6.493 ( -3.471 -2.810 -3.799) 5.863 6.539 ( -0.520 2.314 2.777) 3.652 6.638 ( -4.704 2.114 -0.162) 5.159 6.828 ( 4.261 11.930 -6.519) 14.247 6.859 ( 3.111 8.827 -4.405) 10.344 6.995 ( 4.593 -0.957 3.998) 6.164 7.073 ( 0.516 -0.349 1.054) 1.224 7.219 ( 1.331 -0.049 0.157) 1.342 7.322 ( 8.337 -1.353 -3.434) 9.117 7.386 ( -2.665 5.389 0.689) 6.052 7.458 ( 1.200 3.341 -0.170) 3.554 7.496 ( 1.113 3.385 -0.669) 3.625 7.561 ( 4.133 7.782 -3.344) 9.425 7.787 ( -6.358 7.591 1.732) 10.052 7.838 ( -5.655 2.581 -1.588) 6.416 8.215 ( -1.105 1.064 3.581) 3.896 8.345 ( -5.841 -0.577 -1.098) 5.971 8.420 ( -1.439 1.100 -2.732) 3.279 8.473 ( -3.529 -1.265 -4.035) 5.508 8.701 ( 0.773 -1.190 5.240) 5.428 8.739 ( 0.379 -1.690 1.579) 2.344 8.925 ( -0.038 -2.446 0.940) 2.620 8.955 ( -0.811 -2.007 -0.176) 2.172 9.342 ( 0.620 -3.271 2.905) 4.418 9.382 ( -0.103 -2.529 -0.427) 2.567 9.607 ( 0.707 -3.051 2.162) 3.806 9.634 ( -0.269 -2.921 0.319) 2.951 ======================= Grid point 72 (27/63) ======================= q-point: (-0.50 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( -7.643 2.726 2.533) 8.500 0.914 ( 7.643 2.726 2.533) 8.500 0.973 ( -5.263 7.390 1.924) 9.274 0.973 ( 5.263 7.390 1.924) 9.274 1.027 ( -3.507 6.940 3.696) 8.610 1.027 ( 3.507 6.940 3.696) 8.610 1.223 ( -1.091 10.922 -0.645) 10.995 1.223 ( 1.091 10.922 -0.645) 10.995 1.370 ( -1.983 0.726 -2.017) 2.920 1.370 ( 1.983 0.726 -2.017) 2.920 1.484 ( -3.369 -2.997 -0.700) 4.563 1.484 ( 3.369 -2.997 -0.700) 4.563 1.577 ( -4.373 8.264 3.373) 9.940 1.577 ( 4.373 8.264 3.373) 9.940 1.795 ( -2.251 4.785 -5.316) 7.498 1.795 ( 2.251 4.785 -5.316) 7.498 1.934 ( -3.906 2.832 3.887) 6.195 1.934 ( 3.906 2.832 3.887) 6.195 2.021 ( -2.413 3.043 4.736) 6.125 2.021 ( 2.413 3.043 4.736) 6.125 2.110 ( -14.189 7.657 1.767) 16.219 2.110 ( 14.189 7.657 1.767) 16.219 2.246 ( -3.837 9.845 1.666) 10.697 2.246 ( 3.837 9.845 1.666) 10.697 2.464 ( -4.061 8.280 -3.960) 10.037 2.464 ( 4.061 8.280 -3.960) 10.037 2.780 ( -14.097 5.100 -16.612) 22.376 2.780 ( 14.097 5.100 -16.612) 22.376 3.290 ( -2.760 -1.443 -0.925) 3.249 3.290 ( 2.760 -1.443 -0.925) 3.249 3.374 ( -3.715 -1.937 -3.834) 5.679 3.374 ( 3.715 -1.937 -3.834) 5.679 3.643 ( -3.043 -5.530 7.320) 9.665 3.643 ( 3.043 -5.530 7.320) 9.665 3.834 ( -7.629 -12.094 -0.819) 14.323 3.834 ( 7.629 -12.094 -0.819) 14.323 3.961 ( -1.869 -5.930 5.470) 8.281 3.961 ( 1.869 -5.930 5.470) 8.281 4.235 ( -2.678 -6.634 -4.358) 8.377 4.235 ( 2.678 -6.634 -4.358) 8.377 4.583 ( -5.116 13.179 1.406) 14.207 4.583 ( 5.116 13.179 1.406) 14.207 4.945 ( -1.923 4.615 -4.950) 7.035 4.945 ( 1.923 4.615 -4.950) 7.035 5.310 ( -4.232 11.892 3.791) 13.180 5.310 ( 4.232 11.892 3.791) 13.180 5.483 ( -5.929 3.521 3.287) 7.639 5.483 ( 5.929 3.521 3.287) 7.639 5.577 ( -8.614 2.811 -0.715) 9.089 5.577 ( 8.614 2.811 -0.715) 9.089 5.864 ( -0.426 5.277 -0.775) 5.350 5.864 ( 0.426 5.277 -0.775) 5.350 6.115 ( -2.007 1.693 0.186) 2.632 6.115 ( 2.007 1.693 0.186) 2.632 6.245 ( -0.969 -1.746 2.402) 3.124 6.245 ( 0.969 -1.746 2.402) 3.124 6.425 ( -3.460 2.056 -2.605) 4.794 6.425 ( 3.460 2.056 -2.605) 4.794 6.546 ( -2.677 2.143 1.135) 3.612 6.546 ( 2.677 2.143 1.135) 3.612 6.895 ( -0.985 5.697 -3.919) 6.985 6.895 ( 0.985 5.697 -3.919) 6.985 7.062 ( -2.506 1.193 2.318) 3.616 7.062 ( 2.506 1.193 2.318) 3.616 7.294 ( -5.078 -0.225 2.672) 5.742 7.294 ( 5.078 -0.225 2.672) 5.742 7.440 ( -2.607 1.435 -2.690) 4.011 7.440 ( 2.607 1.435 -2.690) 4.011 7.643 ( -8.924 5.650 0.409) 10.570 7.643 ( 8.924 5.650 0.409) 10.570 7.664 ( -6.746 8.070 -0.487) 10.530 7.664 ( 6.746 8.070 -0.487) 10.530 8.240 ( -3.551 0.561 0.564) 3.639 8.240 ( 3.551 0.561 0.564) 3.639 8.413 ( -1.327 0.306 -5.088) 5.267 8.413 ( 1.327 0.306 -5.088) 5.267 8.730 ( -1.292 -1.910 3.412) 4.118 8.730 ( 1.292 -1.910 3.412) 4.118 8.934 ( -0.903 -2.275 0.286) 2.464 8.934 ( 0.903 -2.275 0.286) 2.464 9.367 ( -1.182 -2.402 1.230) 2.946 9.367 ( 1.182 -2.402 1.230) 2.946 9.624 ( -0.733 -2.971 0.775) 3.157 9.624 ( 0.733 -2.971 0.775) 3.157 ======================= Grid point 75 (28/63) ======================= q-point: ( 0.00 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.540 ( 0.000 0.682 1.906) 2.025 0.629 ( 0.000 -4.212 -1.633) 4.518 0.906 ( 0.000 16.045 1.750) 16.140 1.202 ( 0.000 1.450 1.978) 2.452 1.204 ( 0.000 13.267 0.367) 13.272 1.274 ( 0.000 8.484 -3.484) 9.171 1.317 ( 0.000 2.690 -3.560) 4.462 1.344 ( 0.000 9.011 1.118) 9.080 1.349 ( 0.000 8.143 1.214) 8.233 1.399 ( 0.000 8.312 -4.440) 9.423 1.457 ( 0.000 -0.481 0.080) 0.488 1.539 ( 0.000 6.285 2.712) 6.845 1.556 ( 0.000 7.536 -4.984) 9.035 1.639 ( 0.000 10.028 -2.790) 10.408 1.812 ( 0.000 4.724 -0.556) 4.756 1.863 ( 0.000 -0.488 3.935) 3.965 1.944 ( 0.000 4.053 -3.373) 5.273 1.974 ( 0.000 1.826 -2.058) 2.751 2.063 ( 0.000 6.355 2.705) 6.906 2.075 ( 0.000 19.508 6.368) 20.522 2.200 ( 0.000 14.749 2.785) 15.009 2.338 ( 0.000 7.345 6.649) 9.908 2.480 ( 0.000 12.550 -1.371) 12.625 2.541 ( 0.000 17.620 0.904) 17.643 2.691 ( 0.000 9.442 -4.731) 10.561 2.739 ( 0.000 14.584 -13.116) 19.614 2.998 ( 0.000 10.495 3.850) 11.179 3.063 ( 0.000 -1.110 2.856) 3.064 3.192 ( 0.000 -2.778 0.026) 2.778 3.276 ( 0.000 6.637 -1.447) 6.793 3.307 ( 0.000 8.764 -1.768) 8.940 3.329 ( 0.000 7.193 -4.830) 8.664 3.459 ( 0.000 -5.607 -0.203) 5.611 3.573 ( 0.000 -10.726 -2.162) 10.942 3.630 ( 0.000 -5.500 6.365) 8.412 3.708 ( 0.000 -6.061 4.365) 7.469 3.908 ( 0.000 -5.562 3.066) 6.351 3.945 ( 0.000 -4.204 -2.317) 4.800 4.014 ( 0.000 -5.520 0.548) 5.547 4.158 ( 0.000 -10.196 -2.422) 10.479 4.635 ( 0.000 5.862 4.364) 7.308 4.916 ( 0.000 5.151 -9.053) 10.416 5.051 ( 0.000 -3.245 3.208) 4.563 5.137 ( 0.000 11.105 1.110) 11.160 5.202 ( 0.000 10.821 0.031) 10.821 5.233 ( 0.000 1.840 -1.971) 2.696 5.479 ( 0.000 9.130 3.426) 9.752 5.617 ( 0.000 -0.014 -2.907) 2.907 5.896 ( 0.000 3.239 1.316) 3.496 5.940 ( 0.000 -0.748 -2.837) 2.934 6.053 ( 0.000 1.001 4.061) 4.183 6.061 ( 0.000 -0.337 3.213) 3.231 6.124 ( 0.000 3.719 1.552) 4.030 6.169 ( 0.000 3.246 -1.751) 3.688 6.274 ( 0.000 8.155 -0.945) 8.209 6.360 ( 0.000 6.086 -2.353) 6.525 6.413 ( 0.000 7.758 6.093) 9.865 6.510 ( 0.000 0.424 -4.181) 4.202 6.576 ( 0.000 11.230 4.773) 12.202 6.713 ( 0.000 -1.230 2.917) 3.166 6.881 ( 0.000 -1.257 -1.719) 2.129 6.932 ( 0.000 -0.922 -4.468) 4.562 7.042 ( 0.000 7.486 2.644) 7.940 7.168 ( 0.000 9.003 -2.384) 9.313 7.252 ( 0.000 9.506 0.704) 9.532 7.344 ( 0.000 6.081 -4.438) 7.528 7.403 ( 0.000 3.226 1.553) 3.580 7.570 ( 0.000 2.824 -5.807) 6.457 7.627 ( 0.000 7.563 -3.713) 8.425 7.641 ( 0.000 8.197 -1.668) 8.365 7.942 ( 0.000 3.111 -0.275) 3.123 7.982 ( 0.000 6.089 -2.047) 6.424 8.214 ( 0.000 -2.302 6.051) 6.474 8.409 ( 0.000 -1.849 -2.716) 3.286 8.483 ( 0.000 2.191 -2.503) 3.326 8.496 ( 0.000 -0.102 -3.222) 3.224 8.678 ( 0.000 -0.059 4.405) 4.405 8.716 ( 0.000 0.948 4.827) 4.919 8.868 ( 0.000 -3.510 0.321) 3.524 8.908 ( 0.000 -3.571 -0.693) 3.638 9.246 ( 0.000 -4.180 1.664) 4.499 9.312 ( 0.000 -4.004 -2.378) 4.657 9.518 ( 0.000 -4.586 3.130) 5.552 9.558 ( 0.000 -4.861 0.661) 4.906 ======================= Grid point 76 (29/63) ======================= q-point: ( 0.25 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 12.918 -0.798 0.798) 12.967 0.844 ( 14.098 -1.021 -2.805) 14.411 0.969 ( 5.965 11.515 3.461) 13.422 1.112 ( -4.798 4.623 1.286) 6.785 1.216 ( -4.648 5.929 3.961) 8.512 1.302 ( -2.013 4.955 -2.153) 5.765 1.323 ( 2.238 5.951 -4.429) 7.749 1.361 ( 0.903 1.734 -4.499) 4.905 1.430 ( 0.492 4.863 0.343) 4.899 1.450 ( 1.839 7.301 -1.512) 7.680 1.500 ( 4.619 7.288 1.086) 8.697 1.544 ( 5.715 6.506 0.528) 8.675 1.596 ( 3.388 10.862 0.576) 11.393 1.703 ( 5.714 4.196 -4.688) 8.499 1.809 ( -0.566 4.661 -1.939) 5.080 1.878 ( 0.325 2.455 -1.203) 2.753 1.889 ( -0.901 0.493 2.564) 2.762 2.006 ( 1.572 0.582 -1.622) 2.332 2.069 ( -0.657 5.861 0.734) 5.943 2.121 ( 4.529 15.558 2.927) 16.467 2.193 ( 1.004 17.105 7.723) 18.794 2.431 ( 5.450 8.613 1.302) 10.275 2.468 ( -0.364 14.061 -1.759) 14.176 2.549 ( 1.571 14.073 2.875) 14.450 2.656 ( -4.249 9.083 -3.379) 10.582 2.767 ( 3.667 12.986 -10.166) 16.894 2.877 ( -10.016 12.647 3.328) 16.473 3.133 ( -0.608 6.339 -4.075) 7.560 3.216 ( 3.661 1.058 1.709) 4.177 3.264 ( -3.100 3.080 -2.437) 5.004 3.318 ( 2.238 -0.307 -1.586) 2.760 3.337 ( 2.268 4.988 -3.162) 6.327 3.467 ( 3.363 -5.932 2.059) 7.123 3.547 ( -1.566 -3.612 0.301) 3.948 3.623 ( -0.689 -4.157 6.656) 7.877 3.736 ( 1.827 -7.938 0.763) 8.181 3.873 ( -5.305 -4.789 0.948) 7.209 3.879 ( -2.300 -5.322 2.975) 6.516 4.039 ( 1.313 -7.100 -2.065) 7.510 4.125 ( -2.636 -9.949 -2.802) 10.666 4.673 ( 3.539 5.584 4.942) 8.254 4.918 ( -4.137 7.296 0.344) 8.394 4.983 ( 0.670 0.748 -4.829) 4.932 5.115 ( -2.620 7.440 -3.767) 8.741 5.304 ( 8.329 7.374 2.038) 11.309 5.347 ( 8.627 4.187 0.386) 9.597 5.517 ( 2.861 8.377 2.574) 9.219 5.615 ( -0.892 2.568 -1.320) 3.022 5.860 ( -7.856 7.908 2.220) 11.365 5.876 ( -0.987 -0.115 1.323) 1.655 5.964 ( -3.567 1.571 -1.337) 4.120 6.016 ( -10.181 10.069 -3.821) 14.820 6.083 ( -1.109 -6.271 1.389) 6.518 6.141 ( -0.446 1.122 2.182) 2.494 6.214 ( -4.712 0.350 -0.482) 4.750 6.272 ( -2.950 4.182 -4.447) 6.780 6.452 ( 1.503 -0.221 3.876) 4.163 6.513 ( 3.314 10.614 -0.276) 11.123 6.649 ( -1.726 3.926 4.868) 6.487 6.665 ( -0.729 6.292 3.229) 7.110 6.957 ( 5.956 0.392 -0.805) 6.023 6.983 ( 3.354 1.275 -1.647) 3.949 7.038 ( 0.217 5.526 1.735) 5.796 7.174 ( 0.636 10.377 -1.759) 10.544 7.277 ( -1.651 5.199 -2.954) 6.204 7.338 ( 3.358 4.108 -2.301) 5.783 7.498 ( 6.485 7.632 2.033) 10.220 7.552 ( -3.619 6.100 -1.853) 7.330 7.575 ( -0.141 4.129 -0.823) 4.212 7.727 ( 5.655 7.034 -5.804) 10.731 7.899 ( -4.575 3.590 -0.078) 5.816 7.944 ( -3.232 7.582 -1.233) 8.334 8.225 ( 0.994 -0.585 3.895) 4.062 8.329 ( -5.103 -0.953 0.188) 5.194 8.451 ( -2.546 1.779 -2.790) 4.175 8.463 ( -1.905 1.146 -3.676) 4.297 8.687 ( 0.272 -0.216 3.598) 3.615 8.712 ( -0.316 -0.342 2.927) 2.963 8.863 ( -0.091 -3.402 0.444) 3.432 8.899 ( -0.866 -3.453 -0.711) 3.631 9.270 ( 1.765 -3.753 1.157) 4.306 9.317 ( 0.098 -3.841 -1.578) 4.154 9.527 ( 0.741 -4.677 2.471) 5.341 9.555 ( -0.315 -4.846 0.808) 4.923 ======================= Grid point 77 (30/63) ======================= q-point: (-0.50 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( -6.559 2.804 -0.265) 7.138 0.974 ( 6.559 2.804 -0.265) 7.138 1.072 ( -5.649 4.340 4.346) 8.345 1.072 ( 5.649 4.340 4.346) 8.345 1.175 ( -8.231 4.502 -0.135) 9.382 1.175 ( 8.231 4.502 -0.135) 9.382 1.371 ( -0.932 1.172 -3.926) 4.202 1.371 ( 0.932 1.172 -3.926) 4.202 1.447 ( -2.374 6.237 -0.570) 6.697 1.447 ( 2.374 6.237 -0.570) 6.697 1.526 ( -1.338 10.254 0.404) 10.349 1.526 ( 1.338 10.254 0.404) 10.349 1.749 ( -2.882 7.879 -0.822) 8.429 1.749 ( 2.882 7.879 -0.822) 8.429 1.855 ( -2.401 2.740 -3.745) 5.225 1.855 ( 2.401 2.740 -3.745) 5.225 1.962 ( -6.172 0.416 2.261) 6.586 1.962 ( 6.172 0.416 2.261) 6.586 2.093 ( -4.249 2.354 -1.022) 4.963 2.093 ( 4.249 2.354 -1.022) 4.963 2.400 ( -11.155 19.059 4.105) 22.462 2.400 ( 11.155 19.059 4.105) 22.462 2.501 ( -3.682 13.993 0.607) 14.482 2.501 ( 3.682 13.993 0.607) 14.482 2.661 ( -7.686 10.455 2.180) 13.158 2.661 ( 7.686 10.455 2.180) 13.158 2.946 ( -11.033 9.531 -9.984) 17.670 2.946 ( 11.033 9.531 -9.984) 17.670 3.271 ( -1.708 0.742 0.731) 2.001 3.271 ( 1.708 0.742 0.731) 2.001 3.350 ( -1.729 0.173 -1.678) 2.416 3.350 ( 1.729 0.173 -1.678) 2.416 3.546 ( -1.651 -2.238 4.082) 4.939 3.546 ( 1.651 -2.238 4.082) 4.939 3.676 ( -7.666 -3.697 0.094) 8.511 3.676 ( 7.666 -3.697 0.094) 8.511 3.827 ( -2.056 -7.246 3.448) 8.284 3.827 ( 2.056 -7.246 3.448) 8.284 4.070 ( -1.953 -9.037 -3.472) 9.876 4.070 ( 1.953 -9.037 -3.472) 9.876 4.783 ( -6.309 5.236 5.146) 9.679 4.783 ( 6.309 5.236 5.146) 9.679 5.048 ( -3.443 6.293 -6.544) 9.710 5.048 ( 3.443 6.293 -6.544) 9.710 5.497 ( -5.894 5.171 3.594) 8.625 5.497 ( 5.894 5.171 3.594) 8.625 5.540 ( -2.103 5.848 0.324) 6.223 5.540 ( 2.103 5.848 0.324) 6.223 5.786 ( -5.061 12.968 -1.364) 13.988 5.786 ( 5.061 12.968 -1.364) 13.988 5.891 ( -2.339 -0.911 -0.494) 2.558 5.891 ( 2.339 -0.911 -0.494) 2.558 6.097 ( -2.479 -7.559 -0.657) 7.982 6.097 ( 2.479 -7.559 -0.657) 7.982 6.209 ( -2.594 2.434 -2.739) 4.489 6.209 ( 2.594 2.434 -2.739) 4.489 6.517 ( -3.786 2.692 5.340) 7.078 6.517 ( 3.786 2.692 5.340) 7.078 6.632 ( -2.711 8.730 0.910) 9.186 6.632 ( 2.711 8.730 0.910) 9.186 7.026 ( -1.123 5.527 0.425) 5.656 7.026 ( 1.123 5.527 0.425) 5.656 7.111 ( -5.780 4.415 -0.595) 7.298 7.111 ( 5.780 4.415 -0.595) 7.298 7.331 ( -5.189 3.987 1.126) 6.640 7.331 ( 5.189 3.987 1.126) 6.640 7.510 ( -2.239 5.249 -3.387) 6.636 7.510 ( 2.239 5.249 -3.387) 6.636 7.730 ( -9.464 5.208 1.620) 10.923 7.730 ( 9.464 5.208 1.620) 10.923 7.856 ( -4.780 8.560 -3.924) 10.560 7.856 ( 4.780 8.560 -3.924) 10.560 8.249 ( -1.909 0.368 1.799) 2.648 8.249 ( 1.909 0.368 1.799) 2.648 8.430 ( -0.864 1.262 -3.471) 3.792 8.430 ( 0.864 1.262 -3.471) 3.792 8.697 ( -0.838 -0.783 2.832) 3.056 8.697 ( 0.838 -0.783 2.832) 3.056 8.875 ( -1.094 -3.324 -0.204) 3.505 8.875 ( 1.094 -3.324 -0.204) 3.505 9.305 ( -1.214 -3.592 -0.026) 3.791 9.305 ( 1.214 -3.592 -0.026) 3.791 9.544 ( -0.693 -4.774 1.366) 5.014 9.544 ( 0.693 -4.774 1.366) 5.014 ======================= Grid point 80 (31/63) ======================= q-point: ( 0.00 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.552 ( 0.000 -2.916 -0.719) 3.003 0.563 ( 0.000 1.803 -0.128) 1.808 1.172 ( 0.000 9.535 0.052) 9.535 1.244 ( 0.000 3.080 1.917) 3.628 1.302 ( 0.000 2.328 -7.534) 7.885 1.365 ( 0.000 1.723 -3.648) 4.034 1.442 ( 0.000 4.061 0.972) 4.176 1.455 ( 0.000 1.485 1.006) 1.794 1.548 ( 0.000 13.232 2.637) 13.492 1.563 ( 0.000 9.299 0.030) 9.299 1.585 ( 0.000 8.961 -1.251) 9.048 1.684 ( 0.000 7.208 2.047) 7.493 1.702 ( 0.000 8.777 -5.687) 10.458 1.804 ( 0.000 5.739 -2.890) 6.425 1.873 ( 0.000 2.788 2.349) 3.645 1.935 ( 0.000 6.115 -1.665) 6.337 1.996 ( 0.000 2.359 -5.271) 5.775 2.032 ( 0.000 5.560 -3.873) 6.776 2.138 ( 0.000 1.784 3.852) 4.245 2.277 ( 0.000 3.478 -3.934) 5.251 2.401 ( 0.000 -0.611 11.012) 11.029 2.629 ( 0.000 2.023 -2.076) 2.899 2.679 ( 0.000 23.986 7.082) 25.009 2.832 ( 0.000 4.359 2.784) 5.172 2.876 ( 0.000 11.487 -0.528) 11.500 2.979 ( 0.000 9.128 -4.365) 10.117 3.045 ( 0.000 -0.436 1.996) 2.043 3.133 ( 0.000 1.680 -2.452) 2.973 3.253 ( 0.000 7.038 5.749) 9.088 3.295 ( 0.000 -8.841 3.072) 9.360 3.385 ( 0.000 -4.848 -0.824) 4.917 3.419 ( 0.000 7.598 0.292) 7.604 3.479 ( 0.000 -2.299 4.286) 4.864 3.553 ( 0.000 13.460 -3.896) 14.012 3.604 ( 0.000 12.964 -4.092) 13.595 3.707 ( 0.000 3.980 -4.332) 5.883 3.818 ( 0.000 -2.420 -0.180) 2.427 3.866 ( 0.000 -6.008 -3.907) 7.167 3.977 ( 0.000 2.668 1.855) 3.250 4.008 ( 0.000 0.574 1.537) 1.641 4.688 ( 0.000 1.390 5.376) 5.553 4.944 ( 0.000 -0.490 -5.989) 6.009 4.990 ( 0.000 -3.085 5.085) 5.948 5.223 ( 0.000 0.326 -4.967) 4.978 5.450 ( 0.000 11.352 0.442) 11.361 5.450 ( 0.000 13.578 1.069) 13.620 5.582 ( 0.000 -2.835 0.846) 2.959 5.622 ( 0.000 6.318 -2.153) 6.675 5.894 ( 0.000 -4.416 0.681) 4.468 5.911 ( 0.000 -1.362 -2.977) 3.273 5.994 ( 0.000 -1.317 2.353) 2.696 6.026 ( 0.000 -3.517 3.032) 4.643 6.226 ( 0.000 2.168 2.226) 3.107 6.242 ( 0.000 3.430 6.250) 7.129 6.423 ( 0.000 5.579 -4.544) 7.196 6.426 ( 0.000 2.594 -6.493) 6.992 6.478 ( 0.000 2.560 3.789) 4.573 6.562 ( 0.000 1.452 2.148) 2.593 6.683 ( 0.000 -1.017 7.571) 7.639 6.828 ( 0.000 -2.944 -1.833) 3.468 6.909 ( 0.000 1.017 -7.724) 7.791 6.925 ( 0.000 16.918 -5.438) 17.771 7.172 ( 0.000 7.562 7.482) 10.638 7.349 ( 0.000 2.836 2.877) 4.040 7.402 ( 0.000 9.241 7.297) 11.775 7.502 ( 0.000 12.198 3.333) 12.645 7.613 ( 0.000 11.856 -9.597) 15.254 7.616 ( 0.000 1.551 -7.778) 7.931 7.756 ( 0.000 4.413 -2.168) 4.917 7.776 ( 0.000 7.419 -4.126) 8.489 8.025 ( 0.000 5.113 1.215) 5.255 8.085 ( 0.000 3.001 -0.949) 3.147 8.181 ( 0.000 0.477 4.330) 4.356 8.358 ( 0.000 -3.156 -3.040) 4.382 8.520 ( 0.000 2.406 -2.813) 3.702 8.524 ( 0.000 1.607 -1.447) 2.163 8.703 ( 0.000 1.802 4.772) 5.101 8.751 ( 0.000 1.855 2.849) 3.400 8.797 ( 0.000 -2.923 -0.091) 2.925 8.830 ( 0.000 -3.736 -0.859) 3.833 9.170 ( 0.000 -3.544 0.094) 3.545 9.225 ( 0.000 -4.422 -2.921) 5.299 9.418 ( 0.000 -5.298 3.181) 6.180 9.447 ( 0.000 -6.219 1.317) 6.357 ======================= Grid point 81 (32/63) ======================= q-point: ( 0.25 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( 13.351 -1.245 0.846) 13.435 0.798 ( 16.186 -1.139 -1.389) 16.285 1.185 ( -3.611 2.149 3.834) 5.688 1.192 ( -0.319 9.283 -0.622) 9.310 1.289 ( -2.895 2.683 -4.636) 6.089 1.371 ( 1.466 1.642 -4.634) 5.130 1.387 ( -4.275 4.995 1.664) 6.782 1.446 ( -1.106 3.424 -1.121) 3.769 1.537 ( 0.110 6.690 0.536) 6.713 1.594 ( -0.320 5.851 -2.153) 6.243 1.672 ( 5.987 9.021 1.650) 10.952 1.699 ( 2.156 7.470 1.140) 7.858 1.774 ( 5.325 6.916 -1.021) 8.788 1.832 ( 3.194 7.224 -2.950) 8.432 1.887 ( 2.155 3.290 1.425) 4.183 1.941 ( 0.051 6.713 -1.968) 6.996 1.986 ( -0.618 5.458 -3.990) 6.789 2.020 ( -0.219 3.312 -2.702) 4.280 2.136 ( -1.517 1.847 -0.351) 2.415 2.222 ( -4.561 1.017 -3.934) 6.108 2.471 ( 5.992 0.461 8.663) 10.543 2.650 ( 2.496 1.644 -1.410) 3.305 2.720 ( 3.493 19.587 5.344) 20.601 2.770 ( -4.867 4.171 2.761) 6.979 2.844 ( -0.508 12.415 1.264) 12.489 3.002 ( 1.697 9.783 -3.540) 10.541 3.130 ( -5.419 8.611 2.086) 10.386 3.148 ( 1.749 -4.122 2.023) 4.913 3.259 ( 5.129 2.373 1.026) 5.744 3.294 ( -0.142 4.413 -0.260) 4.423 3.356 ( -1.492 -0.653 2.587) 3.057 3.420 ( 2.968 0.844 2.128) 3.748 3.476 ( 0.211 2.464 0.964) 2.655 3.601 ( 3.496 7.806 -4.003) 9.444 3.625 ( 1.796 10.873 -3.553) 11.579 3.677 ( -2.221 3.828 -3.174) 5.446 3.758 ( -4.823 -4.399 0.519) 6.548 3.828 ( -3.445 -4.207 -4.199) 6.870 3.964 ( -1.004 2.003 1.941) 2.965 3.987 ( -1.841 1.054 1.786) 2.773 4.731 ( 3.744 1.582 5.516) 6.852 4.939 ( -4.082 -1.536 5.191) 6.780 5.007 ( 5.133 -0.237 -5.968) 7.875 5.213 ( -1.721 1.790 -6.110) 6.595 5.487 ( 4.128 8.133 1.010) 9.177 5.514 ( 5.213 9.070 0.114) 10.462 5.614 ( 2.015 1.496 0.749) 2.619 5.653 ( 2.384 3.686 0.225) 4.395 5.845 ( -2.232 -2.133 -0.335) 3.105 5.921 ( -3.172 -3.820 -4.081) 6.427 5.944 ( -2.058 -2.540 2.300) 3.997 5.997 ( -2.108 0.269 2.963) 3.646 6.160 ( -8.427 5.607 1.769) 10.276 6.188 ( -2.424 1.723 0.941) 3.119 6.253 ( -3.510 -1.139 -1.649) 4.042 6.301 ( -13.180 1.794 -2.391) 13.515 6.477 ( 1.251 3.742 3.344) 5.172 6.635 ( -2.933 0.030 8.788) 9.264 6.705 ( 7.369 5.242 -2.349) 9.343 6.874 ( -0.516 6.540 -2.886) 7.167 6.958 ( 9.921 2.272 -1.403) 10.274 7.047 ( 4.659 6.797 -2.912) 8.740 7.156 ( 0.327 7.624 4.430) 8.824 7.374 ( 0.831 8.006 2.280) 8.366 7.404 ( -2.621 5.851 -3.207) 7.169 7.429 ( -1.064 5.869 1.354) 6.116 7.641 ( 0.638 2.646 -2.956) 4.018 7.682 ( -4.680 5.799 -0.989) 7.518 7.722 ( 6.205 12.766 -1.452) 14.268 7.845 ( 5.891 5.970 -4.935) 9.732 7.987 ( -3.170 5.037 1.098) 6.052 8.071 ( -2.268 4.549 -1.977) 5.454 8.195 ( 1.986 -1.484 3.332) 4.153 8.305 ( -3.637 -1.596 -0.891) 4.070 8.494 ( -1.640 2.400 -1.757) 3.396 8.513 ( -2.050 3.371 -2.383) 4.609 8.693 ( -0.266 0.811 3.577) 3.678 8.727 ( -1.506 1.245 2.884) 3.484 8.800 ( 0.409 -2.520 -0.543) 2.610 8.827 ( -0.371 -3.106 -1.172) 3.341 9.196 ( 1.856 -3.624 0.039) 4.072 9.235 ( 0.434 -4.204 -1.997) 4.675 9.426 ( 0.571 -5.448 2.553) 6.044 9.445 ( -0.171 -6.059 1.348) 6.209 ======================= Grid point 82 (33/63) ======================= q-point: (-0.50 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( -11.098 0.286 2.466) 11.372 1.011 ( 11.098 0.286 2.466) 11.372 1.105 ( -10.506 0.096 -1.922) 10.681 1.105 ( 10.506 0.096 -1.922) 10.681 1.286 ( -3.811 7.621 0.710) 8.551 1.286 ( 3.811 7.621 0.710) 8.551 1.413 ( -1.918 2.467 -2.653) 4.099 1.413 ( 1.918 2.467 -2.653) 4.099 1.560 ( -1.980 5.183 -0.892) 5.620 1.560 ( 1.980 5.183 -0.892) 5.620 1.722 ( -0.695 8.066 0.623) 8.119 1.722 ( 0.695 8.066 0.623) 8.119 1.879 ( -2.078 3.303 0.574) 3.944 1.879 ( 2.078 3.303 0.574) 3.944 1.952 ( -1.071 8.833 -2.642) 9.281 1.952 ( 1.071 8.833 -2.642) 9.281 2.008 ( -6.676 4.618 -1.028) 8.182 2.008 ( 6.676 4.618 -1.028) 8.182 2.105 ( -4.914 -0.515 -4.653) 6.787 2.105 ( 4.914 -0.515 -4.653) 6.787 2.627 ( -7.474 0.718 4.984) 9.012 2.627 ( 7.474 0.718 4.984) 9.012 2.733 ( -3.091 7.489 0.032) 8.101 2.733 ( 3.091 7.489 0.032) 8.101 2.944 ( -9.081 16.572 3.632) 19.243 2.944 ( 9.081 16.572 3.632) 19.243 3.067 ( -4.832 3.235 -0.646) 5.851 3.067 ( 4.832 3.235 -0.646) 5.851 3.308 ( -1.711 1.513 2.966) 3.744 3.308 ( 1.711 1.513 2.966) 3.744 3.411 ( -5.205 6.313 -1.201) 8.269 3.411 ( 5.205 6.313 -1.201) 8.269 3.588 ( -7.075 -1.357 0.272) 7.209 3.588 ( 7.075 -1.357 0.272) 7.209 3.656 ( -1.336 6.281 -2.365) 6.843 3.656 ( 1.336 6.281 -2.365) 6.843 3.727 ( -5.026 -1.035 -3.408) 6.160 3.727 ( 5.026 -1.035 -3.408) 6.160 3.953 ( -0.583 0.886 2.145) 2.393 3.953 ( 0.583 0.886 2.145) 2.393 4.833 ( -5.253 0.886 5.771) 7.854 4.833 ( 5.253 0.886 5.771) 7.854 5.132 ( -5.454 1.335 -6.794) 8.814 5.132 ( 5.454 1.335 -6.794) 8.814 5.597 ( -3.835 1.537 0.609) 4.177 5.597 ( 3.835 1.537 0.609) 4.177 5.645 ( -4.644 6.844 1.727) 8.449 5.645 ( 4.644 6.844 1.727) 8.449 5.846 ( -2.515 -3.377 -1.402) 4.438 5.846 ( 2.515 -3.377 -1.402) 4.438 5.941 ( -3.515 0.018 -0.969) 3.646 5.941 ( 3.515 0.018 -0.969) 3.646 6.063 ( -3.167 5.787 1.096) 6.687 6.063 ( 3.167 5.787 1.096) 6.687 6.197 ( -2.228 -2.091 -1.703) 3.498 6.197 ( 2.228 -2.091 -1.703) 3.498 6.550 ( -4.489 1.946 8.003) 9.380 6.550 ( 4.489 1.946 8.003) 9.380 6.822 ( -4.025 7.331 -3.992) 9.267 6.822 ( 4.025 7.331 -3.992) 9.267 7.124 ( -2.456 6.407 1.502) 7.024 7.124 ( 2.456 6.407 1.502) 7.024 7.219 ( -10.568 4.957 -0.944) 11.711 7.219 ( 10.568 4.957 -0.944) 11.711 7.432 ( -2.065 5.406 -0.249) 5.792 7.432 ( 2.065 5.406 -0.249) 5.792 7.621 ( -0.599 5.249 -1.931) 5.624 7.621 ( 0.599 5.249 -1.931) 5.624 7.866 ( -5.795 7.742 1.566) 9.797 7.866 ( 5.795 7.742 1.566) 9.797 7.997 ( -4.681 5.744 -3.881) 8.365 7.997 ( 4.681 5.744 -3.881) 8.365 8.240 ( -2.074 -1.476 0.869) 2.690 8.240 ( 2.074 -1.476 0.869) 2.690 8.474 ( -0.690 3.385 -0.958) 3.585 8.474 ( 0.690 3.385 -0.958) 3.585 8.701 ( -0.898 0.662 2.288) 2.545 8.701 ( 0.898 0.662 2.288) 2.545 8.814 ( -0.761 -2.357 -1.053) 2.691 8.814 ( 0.761 -2.357 -1.053) 2.691 9.230 ( -0.999 -3.853 -0.590) 4.024 9.230 ( 0.999 -3.853 -0.590) 4.024 9.438 ( -0.493 -5.737 1.645) 5.989 9.438 ( 0.493 -5.737 1.645) 5.989 ======================= Grid point 85 (34/63) ======================= q-point: ( 0.00 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.522 ( 0.000 -0.026 0.214) 0.216 0.601 ( 0.000 1.686 -2.471) 2.991 1.249 ( 0.000 1.041 2.631) 2.829 1.361 ( 0.000 3.224 -2.287) 3.953 1.362 ( 0.000 6.126 -0.642) 6.159 1.370 ( 0.000 -0.902 -2.537) 2.693 1.503 ( 0.000 2.697 0.157) 2.702 1.508 ( 0.000 2.430 -0.148) 2.434 1.710 ( 0.000 5.344 0.309) 5.353 1.715 ( 0.000 5.267 2.794) 5.962 1.763 ( 0.000 7.427 0.714) 7.461 1.841 ( 0.000 8.317 0.131) 8.318 1.870 ( 0.000 7.052 -1.702) 7.255 1.908 ( 0.000 5.188 -3.791) 6.426 1.982 ( 0.000 7.692 -1.761) 7.891 1.993 ( 0.000 1.516 -5.432) 5.639 2.074 ( 0.000 1.513 -0.505) 1.595 2.151 ( 0.000 5.531 -4.296) 7.004 2.229 ( 0.000 9.281 0.825) 9.318 2.314 ( 0.000 1.718 -3.426) 3.832 2.347 ( 0.000 -3.767 8.732) 9.510 2.536 ( 0.000 -8.135 -2.694) 8.569 2.792 ( 0.000 -5.106 3.197) 6.024 2.879 ( 0.000 -7.026 -0.543) 7.047 2.917 ( 0.000 -8.931 4.892) 10.183 3.045 ( 0.000 -4.655 -1.298) 4.832 3.089 ( 0.000 4.962 2.085) 5.383 3.182 ( 0.000 4.105 -3.147) 5.172 3.311 ( 0.000 14.763 3.957) 15.284 3.330 ( 0.000 3.783 3.979) 5.491 3.379 ( 0.000 -4.962 4.325) 6.582 3.508 ( 0.000 11.532 2.260) 11.751 3.603 ( 0.000 0.340 -3.410) 3.427 3.632 ( 0.000 3.142 -2.940) 4.303 3.801 ( 0.000 1.013 -0.289) 1.054 3.844 ( 0.000 4.372 -1.385) 4.586 3.883 ( 0.000 14.790 -2.642) 15.024 3.926 ( 0.000 15.691 -3.781) 16.140 4.109 ( 0.000 9.361 4.459) 10.369 4.190 ( 0.000 12.895 0.498) 12.904 4.725 ( 0.000 2.278 4.032) 4.631 4.914 ( 0.000 -2.674 -3.725) 4.586 4.917 ( 0.000 -4.358 5.759) 7.222 5.201 ( 0.000 -2.937 -6.881) 7.482 5.515 ( 0.000 -1.910 3.297) 3.810 5.616 ( 0.000 3.847 2.008) 4.339 5.635 ( 0.000 3.225 -1.885) 3.735 5.733 ( 0.000 1.068 -2.977) 3.163 5.785 ( 0.000 -1.410 1.386) 1.978 5.908 ( 0.000 1.154 -4.662) 4.803 5.948 ( 0.000 -1.897 4.691) 5.060 6.025 ( 0.000 3.819 -0.763) 3.894 6.247 ( 0.000 0.710 -1.055) 1.272 6.277 ( 0.000 0.876 7.878) 7.927 6.457 ( 0.000 -1.193 -7.747) 7.839 6.499 ( 0.000 2.973 -1.611) 3.381 6.540 ( 0.000 2.443 -0.873) 2.595 6.555 ( 0.000 0.092 8.058) 8.059 6.652 ( 0.000 -2.432 -1.684) 2.958 6.775 ( 0.000 -2.052 0.908) 2.244 6.987 ( 0.000 5.712 -1.268) 5.851 7.186 ( 0.000 9.930 -6.680) 11.968 7.370 ( 0.000 10.815 6.587) 12.663 7.382 ( 0.000 1.555 -0.198) 1.568 7.546 ( 0.000 -5.120 -4.999) 7.155 7.597 ( 0.000 8.773 9.504) 12.934 7.718 ( 0.000 6.329 6.293) 8.925 7.822 ( 0.000 8.549 -9.162) 12.531 7.886 ( 0.000 8.337 -2.749) 8.778 7.925 ( 0.000 7.059 -4.300) 8.266 8.113 ( 0.000 1.274 -0.147) 1.283 8.128 ( 0.000 4.484 0.047) 4.484 8.228 ( 0.000 2.787 0.772) 2.892 8.289 ( 0.000 -3.240 -1.741) 3.679 8.538 ( 0.000 -0.424 1.220) 1.291 8.579 ( 0.000 2.637 -2.337) 3.524 8.694 ( 0.000 -2.494 2.036) 3.219 8.727 ( 0.000 -1.893 -0.751) 2.037 8.805 ( 0.000 1.359 1.330) 1.902 8.819 ( 0.000 3.093 0.993) 3.248 9.102 ( 0.000 -3.302 -0.215) 3.309 9.139 ( 0.000 -4.209 -2.020) 4.669 9.307 ( 0.000 -5.713 2.057) 6.072 9.312 ( 0.000 -7.156 1.625) 7.338 ======================= Grid point 86 (35/63) ======================= q-point: ( 0.25 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( 13.665 -0.924 1.385) 13.766 0.807 ( 14.574 0.967 -2.862) 14.884 1.203 ( -5.186 0.414 3.166) 6.090 1.308 ( -5.309 1.602 -1.154) 5.664 1.370 ( 1.381 4.878 -1.182) 5.206 1.394 ( 2.373 1.635 -3.081) 4.219 1.485 ( -2.063 3.151 0.450) 3.793 1.505 ( -0.823 2.764 -0.337) 2.903 1.667 ( -1.361 5.870 0.108) 6.027 1.698 ( -1.905 5.436 -0.185) 5.763 1.820 ( 2.713 5.679 0.964) 6.368 1.838 ( 1.016 6.225 0.043) 6.308 1.893 ( 1.613 6.117 -0.236) 6.331 1.963 ( 2.656 5.053 -3.197) 6.543 1.996 ( 1.906 5.236 -0.140) 5.574 2.011 ( 2.441 3.243 -4.211) 5.849 2.091 ( 1.914 4.627 -2.320) 5.518 2.165 ( 0.445 5.522 -4.702) 7.266 2.209 ( -2.437 7.362 -1.006) 7.820 2.236 ( -4.305 3.227 -2.364) 5.876 2.428 ( 5.433 -3.108 7.393) 9.686 2.563 ( 2.470 -7.674 0.310) 8.068 2.747 ( -3.358 -4.325 3.709) 6.614 2.828 ( -3.403 -6.433 1.124) 7.364 2.948 ( 2.244 -6.229 2.543) 7.092 3.065 ( 0.799 -4.439 -2.386) 5.103 3.182 ( 2.697 6.540 1.176) 7.171 3.249 ( 7.145 3.201 -0.578) 7.851 3.269 ( -0.861 1.609 1.677) 2.478 3.318 ( -1.195 -2.106 2.902) 3.780 3.472 ( 6.376 7.496 3.750) 10.531 3.482 ( -0.695 10.718 1.997) 10.924 3.580 ( -2.798 3.785 -1.828) 5.049 3.641 ( 0.661 1.757 -2.426) 3.067 3.714 ( -5.146 2.501 1.247) 5.856 3.814 ( -3.265 5.905 -3.344) 7.530 3.902 ( 1.374 14.061 -2.441) 14.337 3.939 ( 0.787 15.485 -3.506) 15.896 4.107 ( -0.245 10.088 4.328) 10.980 4.163 ( -2.335 12.327 1.564) 12.643 4.758 ( 2.959 1.110 4.078) 5.160 4.889 ( -1.819 -3.455 3.985) 5.579 4.978 ( 4.962 -2.447 -2.580) 6.104 5.199 ( -1.338 -3.210 -7.065) 7.874 5.526 ( 1.823 -0.790 2.714) 3.364 5.626 ( 2.101 1.266 -1.679) 2.972 5.676 ( 1.542 2.573 0.140) 3.003 5.719 ( -0.608 -1.468 -1.813) 2.411 5.782 ( -0.270 -1.080 1.611) 1.958 5.852 ( -4.915 -0.814 0.734) 5.035 5.923 ( -0.610 0.757 -0.175) 0.988 6.032 ( -1.429 1.594 -0.723) 2.260 6.168 ( -7.086 -2.249 4.192) 8.534 6.221 ( -4.965 2.975 -0.925) 5.862 6.254 ( -6.060 2.122 0.547) 6.444 6.366 ( -7.160 3.635 0.510) 8.046 6.563 ( -0.709 3.631 0.455) 3.728 6.633 ( 1.174 0.125 4.594) 4.743 6.750 ( 8.463 0.252 -4.711) 9.689 6.893 ( 4.388 -2.036 -4.509) 6.613 7.057 ( 8.041 6.027 2.283) 10.306 7.224 ( 1.766 9.251 -2.959) 9.872 7.346 ( -0.904 9.408 2.812) 9.861 7.428 ( 3.553 0.489 -0.204) 3.593 7.524 ( -1.361 3.264 -2.933) 4.594 7.565 ( -7.829 5.109 1.329) 9.442 7.662 ( 2.695 2.623 2.965) 4.789 7.801 ( -5.061 5.525 -0.767) 7.532 7.947 ( 4.666 8.660 -1.534) 9.956 7.981 ( 3.275 7.062 -2.345) 8.130 8.080 ( -0.998 3.899 -0.477) 4.053 8.107 ( -3.003 -0.828 -0.895) 3.241 8.203 ( 0.307 2.309 1.545) 2.795 8.283 ( -1.423 0.209 -1.754) 2.269 8.537 ( -0.133 1.086 0.641) 1.268 8.572 ( -1.108 1.947 -2.207) 3.145 8.692 ( 0.099 -1.116 2.518) 2.756 8.735 ( -0.548 0.029 0.316) 0.633 8.779 ( -0.094 0.708 0.712) 1.009 8.817 ( -0.667 2.040 -0.909) 2.331 9.124 ( 1.577 -3.600 0.106) 3.932 9.151 ( 0.632 -4.207 -1.074) 4.388 9.310 ( 0.271 -6.251 1.543) 6.444 9.316 ( 0.217 -6.536 1.384) 6.684 ======================= Grid point 87 (36/63) ======================= q-point: (-0.50 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( -9.749 -1.437 0.846) 9.891 0.987 ( 9.749 -1.437 0.846) 9.891 1.131 ( -9.494 1.612 -0.545) 9.645 1.131 ( 9.494 1.612 -0.545) 9.645 1.425 ( -3.043 4.165 -0.161) 5.160 1.425 ( 3.043 4.165 -0.161) 5.160 1.458 ( -3.029 2.678 -1.427) 4.288 1.458 ( 3.029 2.678 -1.427) 4.288 1.662 ( -0.925 5.667 -0.574) 5.770 1.662 ( 0.925 5.667 -0.574) 5.770 1.853 ( -0.408 5.239 0.125) 5.257 1.853 ( 0.408 5.239 0.125) 5.257 1.939 ( -2.440 3.656 0.253) 4.403 1.939 ( 2.440 3.656 0.253) 4.403 2.088 ( -3.034 -0.289 -5.027) 5.878 2.088 ( 3.034 -0.289 -5.027) 5.878 2.122 ( -4.389 6.674 -0.845) 8.032 2.122 ( 4.389 6.674 -0.845) 8.032 2.165 ( -0.642 10.236 -3.643) 10.884 2.165 ( 0.642 10.236 -3.643) 10.884 2.559 ( -5.111 -5.364 6.538) 9.882 2.559 ( 5.111 -5.364 6.538) 9.882 2.735 ( -4.066 -5.608 1.654) 7.121 2.735 ( 4.066 -5.608 1.654) 7.121 3.025 ( -4.270 -4.285 0.258) 6.054 3.025 ( 4.270 -4.285 0.258) 6.054 3.216 ( -3.101 4.119 -1.565) 5.388 3.216 ( 3.101 4.119 -1.565) 5.388 3.366 ( -3.322 1.645 4.223) 5.619 3.366 ( 3.322 1.645 4.223) 5.619 3.464 ( -5.422 1.847 -0.674) 5.768 3.464 ( 5.422 1.847 -0.674) 5.768 3.637 ( -3.440 7.932 0.619) 8.668 3.637 ( 3.440 7.932 0.619) 8.668 3.698 ( -6.474 4.845 -1.608) 8.244 3.698 ( 6.474 4.845 -1.608) 8.244 3.938 ( -1.292 14.571 -3.534) 15.049 3.938 ( 1.292 14.571 -3.534) 15.049 4.113 ( -1.466 11.514 3.789) 12.210 4.113 ( 1.466 11.514 3.789) 12.210 4.833 ( -3.334 -0.865 4.091) 5.347 4.833 ( 3.334 -0.865 4.091) 5.347 5.110 ( -6.294 -3.032 -4.932) 8.552 5.110 ( 6.294 -3.032 -4.932) 8.552 5.617 ( -5.584 1.151 -0.001) 5.701 5.617 ( 5.584 1.151 -0.001) 5.701 5.695 ( -2.500 -3.421 -2.331) 4.836 5.695 ( 2.500 -3.421 -2.331) 4.836 5.787 ( -1.290 -1.461 2.952) 3.537 5.787 ( 1.290 -1.461 2.952) 3.537 5.943 ( -4.247 -0.817 -0.450) 4.349 5.943 ( 4.247 -0.817 -0.450) 4.349 6.103 ( -1.728 2.812 3.311) 4.675 6.103 ( 1.728 2.812 3.311) 4.675 6.251 ( -2.693 5.046 -2.222) 6.136 6.251 ( 2.693 5.046 -2.222) 6.136 6.603 ( -3.037 3.068 4.917) 6.544 6.603 ( 3.037 3.068 4.917) 6.544 6.889 ( -3.931 0.172 -6.506) 7.603 6.889 ( 3.931 0.172 -6.506) 7.603 7.280 ( -3.167 6.836 1.638) 7.710 7.280 ( 3.167 6.836 1.638) 7.710 7.306 ( -12.073 5.059 -0.182) 13.092 7.306 ( 12.073 5.059 -0.182) 13.092 7.528 ( -2.865 3.887 -2.616) 5.492 7.528 ( 2.865 3.887 -2.616) 5.492 7.711 ( -2.516 3.237 1.828) 4.489 7.711 ( 2.516 3.237 1.828) 4.489 7.981 ( -1.085 2.882 0.735) 3.166 7.981 ( 1.085 2.882 0.735) 3.166 8.099 ( -0.748 4.904 -1.196) 5.103 8.099 ( 0.748 4.904 -1.196) 5.103 8.232 ( -2.436 1.624 -0.921) 3.069 8.232 ( 2.436 1.624 -0.921) 3.069 8.542 ( -0.972 2.319 -0.552) 2.574 8.542 ( 0.972 2.319 -0.552) 2.574 8.708 ( -1.262 0.410 2.298) 2.653 8.708 ( 1.262 0.410 2.298) 2.653 8.799 ( -0.997 0.839 -1.563) 2.035 8.799 ( 0.997 0.839 -1.563) 2.035 9.151 ( -0.704 -4.000 0.042) 4.062 9.151 ( 0.704 -4.000 0.042) 4.062 9.316 ( -0.219 -6.356 1.081) 6.451 9.316 ( 0.219 -6.356 1.081) 6.451 ======================= Grid point 90 (37/63) ======================= q-point: ( 0.00 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( 0.000 1.770 0.779) 1.934 0.621 ( 0.000 0.216 -2.584) 2.593 1.262 ( 0.000 0.557 1.813) 1.897 1.338 ( 0.000 -1.944 -1.305) 2.342 1.416 ( 0.000 1.806 0.157) 1.813 1.449 ( 0.000 2.385 -0.910) 2.553 1.540 ( 0.000 1.008 -0.090) 1.012 1.544 ( 0.000 1.252 -0.042) 1.253 1.785 ( 0.000 2.585 0.470) 2.628 1.806 ( 0.000 4.292 2.691) 5.066 1.870 ( 0.000 3.087 -0.564) 3.138 1.961 ( 0.000 1.593 -3.529) 3.872 1.993 ( 0.000 6.025 0.501) 6.046 2.020 ( 0.000 6.266 -1.588) 6.464 2.031 ( 0.000 3.134 -2.480) 3.997 2.095 ( 0.000 2.104 0.031) 2.104 2.126 ( 0.000 4.376 -3.582) 5.655 2.234 ( 0.000 3.722 -4.328) 5.708 2.282 ( 0.000 -2.030 4.985) 5.383 2.348 ( 0.000 -3.854 1.396) 4.099 2.410 ( 0.000 5.649 -1.697) 5.898 2.416 ( 0.000 2.352 -3.497) 4.215 2.655 ( 0.000 -7.727 0.517) 7.744 2.718 ( 0.000 -7.743 5.142) 9.294 2.745 ( 0.000 -4.540 -4.376) 6.306 2.898 ( 0.000 -7.736 -2.141) 8.027 3.124 ( 0.000 -0.685 4.711) 4.760 3.219 ( 0.000 -6.589 2.974) 7.228 3.304 ( 0.000 5.468 1.580) 5.692 3.437 ( 0.000 4.703 6.318) 7.876 3.466 ( 0.000 -1.479 -2.224) 2.670 3.667 ( 0.000 11.753 -3.844) 12.366 3.698 ( 0.000 -1.669 0.934) 1.913 3.718 ( 0.000 8.011 -0.001) 8.011 3.916 ( 0.000 8.498 0.963) 8.553 3.943 ( 0.000 5.136 -0.526) 5.163 4.160 ( 0.000 12.020 -0.313) 12.024 4.199 ( 0.000 11.339 -0.779) 11.366 4.299 ( 0.000 8.481 5.220) 9.959 4.418 ( 0.000 8.763 -0.919) 8.811 4.765 ( 0.000 1.287 0.315) 1.325 4.827 ( 0.000 -3.911 5.595) 6.826 4.834 ( 0.000 -4.943 -2.125) 5.381 5.086 ( 0.000 -8.686 -4.120) 9.614 5.511 ( 0.000 1.650 5.596) 5.834 5.583 ( 0.000 -3.360 1.386) 3.635 5.639 ( 0.000 -0.864 1.641) 1.854 5.708 ( 0.000 -2.255 3.789) 4.410 5.831 ( 0.000 2.883 1.516) 3.257 5.939 ( 0.000 1.222 -5.548) 5.681 5.995 ( 0.000 5.027 -4.724) 6.898 6.113 ( 0.000 4.139 -3.599) 5.485 6.273 ( 0.000 1.661 -3.408) 3.791 6.299 ( 0.000 1.884 5.335) 5.658 6.415 ( 0.000 -2.525 -8.566) 8.931 6.503 ( 0.000 -0.538 2.543) 2.600 6.560 ( 0.000 -0.086 -1.294) 1.296 6.584 ( 0.000 -2.370 -2.670) 3.570 6.618 ( 0.000 2.441 2.055) 3.191 6.742 ( 0.000 -1.459 3.246) 3.559 7.099 ( 0.000 4.917 3.648) 6.123 7.339 ( 0.000 4.265 -6.636) 7.888 7.411 ( 0.000 -5.912 -5.511) 8.082 7.411 ( 0.000 1.205 -4.507) 4.666 7.580 ( 0.000 9.787 7.791) 12.509 7.756 ( 0.000 7.194 8.063) 10.806 7.828 ( 0.000 4.890 6.517) 8.147 7.942 ( 0.000 3.170 -4.250) 5.302 8.022 ( 0.000 4.452 -0.690) 4.505 8.031 ( 0.000 2.886 -4.100) 5.014 8.147 ( 0.000 1.781 -2.823) 3.337 8.163 ( 0.000 -0.910 -3.219) 3.345 8.277 ( 0.000 2.294 1.058) 2.526 8.281 ( 0.000 3.136 1.368) 3.421 8.499 ( 0.000 -3.355 2.307) 4.072 8.560 ( 0.000 -4.032 -0.931) 4.139 8.704 ( 0.000 3.232 -0.382) 3.254 8.718 ( 0.000 0.867 -0.674) 1.098 8.841 ( 0.000 1.912 2.159) 2.884 8.885 ( 0.000 3.248 0.041) 3.248 9.038 ( 0.000 -2.909 0.032) 2.909 9.052 ( 0.000 -4.517 0.115) 4.519 9.167 ( 0.000 -7.132 1.289) 7.248 9.196 ( 0.000 -5.241 -0.428) 5.259 ======================= Grid point 91 (38/63) ======================= q-point: ( 0.25 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( 12.914 1.405 1.672) 13.097 0.816 ( 13.883 -0.249 -3.275) 14.266 1.210 ( -5.375 0.430 2.462) 5.928 1.304 ( -4.350 -1.323 -1.636) 4.832 1.419 ( 0.769 1.119 -0.359) 1.404 1.444 ( 0.618 1.534 -0.972) 1.918 1.518 ( -1.854 0.748 0.359) 2.031 1.539 ( -0.986 0.476 -0.453) 1.185 1.783 ( 0.497 5.998 0.521) 6.041 1.813 ( -0.052 5.395 0.312) 5.404 1.906 ( 2.453 2.792 0.899) 3.823 1.942 ( -0.266 4.209 -0.795) 4.292 2.018 ( -0.001 5.409 -1.655) 5.657 2.020 ( 0.869 2.351 -4.179) 4.873 2.063 ( -0.969 2.590 -0.888) 2.905 2.102 ( 3.546 3.536 -1.617) 5.262 2.161 ( 2.478 2.991 -1.286) 4.091 2.249 ( 1.398 4.608 -2.216) 5.301 2.299 ( 1.637 0.726 2.351) 2.955 2.378 ( -1.702 5.477 -3.009) 6.476 2.389 ( 3.655 -3.921 2.385) 5.867 2.456 ( 2.518 2.687 -1.371) 3.930 2.627 ( -2.666 -6.161 0.362) 6.723 2.670 ( -3.770 -6.873 1.294) 7.945 2.799 ( 4.298 -7.031 1.389) 8.356 2.934 ( 2.679 -6.902 -2.101) 7.696 3.153 ( -0.865 -4.610 3.431) 5.811 3.165 ( -2.822 -7.216 3.814) 8.636 3.344 ( 4.276 5.252 -0.383) 6.784 3.399 ( -0.159 4.041 -0.643) 4.095 3.521 ( 1.894 0.878 3.389) 3.981 3.630 ( -5.722 -0.328 0.273) 5.737 3.721 ( 3.318 9.992 -0.710) 10.552 3.742 ( 3.012 8.047 -0.748) 8.625 3.867 ( -2.530 8.448 2.396) 9.139 3.944 ( -1.495 6.330 -1.855) 6.763 4.174 ( 1.282 11.963 -0.287) 12.035 4.212 ( 0.734 11.366 -0.913) 11.426 4.302 ( 0.259 8.381 4.497) 9.515 4.382 ( -2.909 8.468 0.183) 8.955 4.771 ( 1.093 0.162 1.105) 1.563 4.816 ( 0.132 -3.132 2.169) 3.812 4.908 ( 4.904 -4.497 0.416) 6.667 5.083 ( -0.856 -8.218 -3.476) 8.964 5.523 ( 1.556 -0.017 4.428) 4.693 5.578 ( 0.170 -2.289 0.002) 2.295 5.642 ( -0.813 -3.229 -0.137) 3.333 5.702 ( -0.303 -0.743 1.875) 2.039 5.792 ( -2.839 1.081 1.870) 3.567 5.881 ( -6.058 1.611 -2.851) 6.887 5.948 ( -2.921 1.295 -0.438) 3.225 6.022 ( -7.395 -1.144 -2.762) 7.977 6.213 ( -1.242 4.916 2.322) 5.577 6.277 ( -5.542 1.786 -1.682) 6.061 6.312 ( 0.047 4.039 -3.405) 5.283 6.420 ( -5.943 1.231 -1.773) 6.323 6.610 ( 3.018 1.889 2.221) 4.197 6.656 ( 3.987 1.813 -0.119) 4.382 6.744 ( 7.368 -0.497 -3.671) 8.246 6.837 ( 4.672 -3.151 -2.920) 6.347 7.166 ( 6.554 4.521 5.139) 9.477 7.384 ( 1.236 5.940 -4.821) 7.750 7.414 ( 3.730 -2.815 -1.236) 4.834 7.462 ( 3.075 0.244 -4.592) 5.532 7.533 ( -1.703 4.160 3.301) 5.577 7.659 ( -10.671 4.782 0.255) 11.696 7.778 ( -0.711 5.372 6.052) 8.123 7.875 ( -8.540 2.360 0.753) 8.892 8.026 ( -2.904 -2.267 -1.319) 3.912 8.082 ( 5.359 2.145 2.061) 6.130 8.114 ( -0.017 5.497 -2.884) 6.208 8.162 ( 1.004 3.446 -1.881) 4.052 8.265 ( 0.005 3.549 1.016) 3.691 8.310 ( 0.380 2.144 -0.934) 2.369 8.521 ( 1.211 -2.568 1.234) 3.096 8.551 ( -0.748 -3.664 -0.340) 3.755 8.709 ( 1.214 2.776 0.676) 3.104 8.758 ( 1.905 2.419 -1.558) 3.451 8.814 ( -1.230 2.280 1.922) 3.226 8.873 ( -1.303 3.125 -0.998) 3.530 9.051 ( 0.995 -3.677 0.821) 3.897 9.065 ( 0.700 -4.270 0.749) 4.391 9.173 ( 0.583 -6.926 0.664) 6.983 9.197 ( -0.079 -5.579 -0.476) 5.600 ======================= Grid point 92 (39/63) ======================= q-point: (-0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( -9.132 1.080 0.239) 9.198 0.982 ( 9.132 1.080 0.239) 9.198 1.140 ( -8.646 -0.959 -0.618) 8.720 1.140 ( 8.646 -0.959 -0.618) 8.720 1.453 ( -1.902 0.456 -0.503) 2.020 1.453 ( 1.902 0.456 -0.503) 2.020 1.500 ( -1.971 0.402 -0.324) 2.037 1.500 ( 1.971 0.402 -0.324) 2.037 1.802 ( -0.922 7.853 -0.126) 7.908 1.802 ( 0.922 7.853 -0.126) 7.908 1.940 ( -0.465 3.537 0.294) 3.579 1.940 ( 0.465 3.537 0.294) 3.579 2.021 ( -0.373 4.010 -1.009) 4.152 2.021 ( 0.373 4.010 -1.009) 4.152 2.087 ( -2.374 0.288 -4.588) 5.174 2.087 ( 2.374 0.288 -4.588) 5.174 2.250 ( -2.579 5.143 0.839) 5.815 2.250 ( 2.579 5.143 0.839) 5.815 2.336 ( -1.795 5.309 -0.923) 5.680 2.336 ( 1.795 5.309 -0.923) 5.680 2.488 ( -3.211 -0.378 0.160) 3.237 2.488 ( 3.211 -0.378 0.160) 3.237 2.580 ( -2.188 -7.502 1.052) 7.885 2.580 ( 2.188 -7.502 1.052) 7.885 2.919 ( -5.407 -5.479 2.898) 8.225 2.919 ( 5.407 -5.479 2.898) 8.225 3.122 ( -2.731 -8.297 -0.558) 8.752 3.122 ( 2.731 -8.297 -0.558) 8.752 3.443 ( -2.793 4.221 1.654) 5.325 3.443 ( 2.793 4.221 1.654) 5.325 3.509 ( -1.920 1.692 -0.448) 2.598 3.509 ( 1.920 1.692 -0.448) 2.598 3.789 ( -2.029 7.467 0.632) 7.764 3.789 ( 2.029 7.467 0.632) 7.764 3.870 ( -4.484 8.162 0.214) 9.315 3.870 ( 4.484 8.162 0.214) 9.315 4.208 ( -1.326 11.674 -0.944) 11.787 4.208 ( 1.326 11.674 -0.944) 11.787 4.321 ( -1.996 8.289 2.617) 8.919 4.321 ( 1.996 8.289 2.617) 8.919 4.807 ( -1.409 -1.218 1.724) 2.538 4.807 ( 1.409 -1.218 1.724) 2.538 5.022 ( -4.800 -5.965 -0.791) 7.697 5.022 ( 4.800 -5.965 -0.791) 7.697 5.587 ( -3.045 -4.309 -1.252) 5.422 5.587 ( 3.045 -4.309 -1.252) 5.422 5.637 ( -4.815 -0.472 -1.543) 5.078 5.637 ( 4.815 -0.472 -1.543) 5.078 5.768 ( -1.633 0.221 3.638) 3.994 5.768 ( 1.633 0.221 3.638) 3.994 5.921 ( -1.571 -1.451 0.696) 2.249 5.921 ( 1.571 -1.451 0.696) 2.249 6.207 ( -0.925 5.961 0.365) 6.043 6.207 ( 0.925 5.961 0.365) 6.043 6.337 ( -2.160 3.208 -3.824) 5.438 6.337 ( 2.160 3.208 -3.824) 5.438 6.669 ( -1.931 3.611 2.344) 4.718 6.669 ( 1.931 3.611 2.344) 4.718 6.862 ( -2.629 -2.190 -5.392) 6.386 6.862 ( 2.629 -2.190 -5.392) 6.386 7.369 ( -8.008 3.820 2.363) 9.182 7.369 ( 8.008 3.820 2.363) 9.182 7.430 ( -3.475 5.568 -1.114) 6.657 7.430 ( 3.475 5.568 -1.114) 6.657 7.575 ( -1.625 0.503 -2.966) 3.419 7.575 ( 1.625 0.503 -2.966) 3.419 7.713 ( -1.721 -3.074 2.456) 4.295 7.713 ( 1.721 -3.074 2.456) 4.295 8.048 ( -4.102 4.969 1.838) 6.700 8.048 ( 4.102 4.969 1.838) 6.700 8.177 ( -2.315 2.405 -0.200) 3.344 8.177 ( 2.315 2.405 -0.200) 3.344 8.288 ( -1.921 3.378 -1.247) 4.081 8.288 ( 1.921 3.378 -1.247) 4.081 8.537 ( -0.498 -2.618 0.345) 2.687 8.537 ( 0.498 -2.618 0.345) 2.687 8.747 ( -1.883 3.340 1.064) 3.979 8.747 ( 1.883 3.340 1.064) 3.979 8.835 ( -2.015 2.490 -1.403) 3.497 8.835 ( 2.015 2.490 -1.403) 3.497 9.069 ( -0.405 -4.167 1.362) 4.403 9.069 ( 0.405 -4.167 1.362) 4.403 9.188 ( -0.683 -6.290 -0.262) 6.332 9.188 ( 0.683 -6.290 -0.262) 6.332 ======================= Grid point 95 (40/63) ======================= q-point: ( 0.00 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( 0.000 1.838 0.457) 1.894 0.611 ( 0.000 -1.090 -0.904) 1.416 1.277 ( 0.000 0.951 0.406) 1.034 1.302 ( 0.000 -1.551 -0.831) 1.759 1.438 ( 0.000 0.871 0.487) 0.998 1.459 ( 0.000 -0.915 -0.592) 1.090 1.553 ( 0.000 0.306 -0.030) 0.307 1.555 ( 0.000 0.060 -0.079) 0.099 1.831 ( 0.000 2.165 -0.411) 2.203 1.862 ( 0.000 -0.091 -2.111) 2.113 1.911 ( 0.000 2.521 0.254) 2.534 1.957 ( 0.000 -1.542 -3.347) 3.685 2.065 ( 0.000 2.967 -1.185) 3.195 2.105 ( 0.000 0.616 -0.198) 0.647 2.136 ( 0.000 4.176 0.096) 4.177 2.152 ( 0.000 0.294 -3.945) 3.956 2.161 ( 0.000 4.514 1.939) 4.913 2.255 ( 0.000 -2.582 2.362) 3.500 2.273 ( 0.000 1.267 2.928) 3.190 2.307 ( 0.000 -0.650 0.615) 0.895 2.421 ( 0.000 -2.617 1.547) 3.040 2.426 ( 0.000 -1.930 0.795) 2.087 2.589 ( 0.000 1.494 -7.014) 7.171 2.667 ( 0.000 -4.944 -9.178) 10.425 2.679 ( 0.000 4.447 1.503) 4.694 2.783 ( 0.000 -4.355 -2.724) 5.137 3.093 ( 0.000 -1.219 6.930) 7.037 3.108 ( 0.000 -3.251 8.054) 8.686 3.407 ( 0.000 3.927 1.029) 4.059 3.452 ( 0.000 -0.678 -0.036) 0.679 3.528 ( 0.000 4.632 3.895) 6.052 3.625 ( 0.000 -4.747 1.160) 4.887 3.828 ( 0.000 3.149 -3.954) 5.054 3.829 ( 0.000 3.647 -5.545) 6.637 4.034 ( 0.000 3.304 2.296) 4.024 4.042 ( 0.000 3.147 2.282) 3.888 4.343 ( 0.000 5.817 0.708) 5.860 4.368 ( 0.000 4.380 0.715) 4.438 4.427 ( 0.000 4.953 2.688) 5.635 4.506 ( 0.000 -0.756 -0.644) 0.993 4.755 ( 0.000 -1.542 -2.197) 2.684 4.766 ( 0.000 -1.149 -2.582) 2.826 4.794 ( 0.000 1.496 6.555) 6.723 4.897 ( 0.000 -8.458 4.196) 9.441 5.561 ( 0.000 0.519 2.468) 2.522 5.561 ( 0.000 2.119 6.302) 6.649 5.614 ( 0.000 -0.460 1.867) 1.923 5.654 ( 0.000 -2.971 5.475) 6.229 5.885 ( 0.000 2.719 1.022) 2.905 5.934 ( 0.000 -1.742 -2.021) 2.669 6.102 ( 0.000 4.810 -9.640) 10.773 6.157 ( 0.000 -0.253 -8.046) 8.050 6.307 ( 0.000 1.847 -5.180) 5.499 6.352 ( 0.000 -1.274 -5.643) 5.785 6.376 ( 0.000 3.234 -2.223) 3.925 6.470 ( 0.000 -3.911 -3.905) 5.526 6.543 ( 0.000 -0.202 0.158) 0.257 6.551 ( 0.000 -0.587 -0.182) 0.615 6.672 ( 0.000 2.356 4.307) 4.910 6.712 ( 0.000 -1.656 4.110) 4.431 7.181 ( 0.000 3.746 3.646) 5.227 7.269 ( 0.000 -5.327 0.499) 5.350 7.418 ( 0.000 1.501 -9.200) 9.321 7.428 ( 0.000 0.299 -7.711) 7.717 7.766 ( 0.000 8.052 6.090) 10.096 7.854 ( 0.000 0.787 5.864) 5.916 7.912 ( 0.000 3.327 6.964) 7.718 7.956 ( 0.000 -1.087 5.348) 5.457 8.043 ( 0.000 0.054 -4.625) 4.626 8.060 ( 0.000 -0.354 -1.107) 1.162 8.162 ( 0.000 0.773 -2.999) 3.097 8.170 ( 0.000 0.302 -3.503) 3.516 8.329 ( 0.000 2.984 1.326) 3.265 8.358 ( 0.000 3.025 -0.592) 3.082 8.425 ( 0.000 -2.735 2.297) 3.571 8.471 ( 0.000 -4.489 -0.420) 4.508 8.750 ( 0.000 1.924 0.008) 1.924 8.762 ( 0.000 1.531 -0.610) 1.648 8.883 ( 0.000 2.326 2.549) 3.450 8.921 ( 0.000 -0.637 1.721) 1.835 8.979 ( 0.000 -1.612 0.585) 1.715 9.001 ( 0.000 -1.359 -1.574) 2.080 9.053 ( 0.000 -2.047 0.350) 2.077 9.101 ( 0.000 -4.221 -1.911) 4.634 ======================= Grid point 96 (41/63) ======================= q-point: ( 0.25 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( 12.940 2.443 0.737) 13.189 0.794 ( 13.540 -1.861 -1.382) 13.737 1.228 ( -5.217 1.531 0.510) 5.461 1.267 ( -4.355 -2.134 -1.285) 5.017 1.432 ( 0.280 0.520 0.362) 0.693 1.447 ( 0.015 -0.761 -0.377) 0.849 1.526 ( -2.194 0.354 0.058) 2.224 1.536 ( -1.845 -0.516 -0.268) 1.934 1.885 ( 3.907 3.392 0.158) 5.177 1.906 ( 3.360 2.813 -1.239) 4.554 1.939 ( 2.186 1.867 0.714) 2.962 1.986 ( 1.679 -0.406 -1.884) 2.556 2.064 ( 0.194 2.206 -1.972) 2.965 2.088 ( -0.705 0.581 -0.750) 1.181 2.117 ( -1.537 2.657 -2.527) 3.976 2.139 ( -1.674 0.611 -1.656) 2.433 2.226 ( 5.185 1.929 -0.002) 5.533 2.270 ( 1.125 -0.916 1.335) 1.972 2.305 ( 2.057 0.889 1.807) 2.878 2.340 ( 2.364 -0.964 0.537) 2.609 2.419 ( 0.266 -0.281 1.320) 1.376 2.472 ( 3.755 -3.368 1.584) 5.287 2.580 ( -1.979 1.752 -5.616) 6.206 2.624 ( -2.648 0.718 -3.488) 4.437 2.720 ( 3.557 0.567 -0.972) 3.731 2.815 ( 3.696 -5.519 -2.288) 7.026 3.049 ( -5.722 -2.139 7.803) 9.909 3.074 ( -2.898 -3.434 5.512) 7.112 3.429 ( 2.621 2.944 0.077) 3.943 3.453 ( 1.575 0.930 -1.209) 2.192 3.547 ( 0.455 1.900 3.003) 3.582 3.597 ( -2.612 -2.525 0.790) 3.718 3.852 ( 2.358 4.140 -2.062) 5.191 3.870 ( 3.304 2.952 -3.313) 5.533 3.998 ( -2.543 4.328 2.710) 5.705 4.029 ( -1.915 1.547 1.237) 2.754 4.356 ( 1.172 5.749 0.635) 5.902 4.378 ( 0.821 4.299 0.714) 4.435 4.423 ( -0.398 4.211 2.270) 4.801 4.476 ( -2.480 0.477 -0.364) 2.552 4.765 ( 1.523 0.092 -0.529) 1.615 4.785 ( 1.644 -0.840 -0.772) 2.001 4.831 ( 2.707 -1.222 4.153) 5.105 4.906 ( 0.366 -7.819 3.293) 8.492 5.528 ( -1.025 1.216 2.198) 2.713 5.563 ( -0.423 -1.553 1.902) 2.492 5.615 ( -0.286 1.582 1.694) 2.335 5.666 ( -0.128 -2.631 3.530) 4.405 5.827 ( -3.895 2.517 0.531) 4.668 5.878 ( -4.312 -1.915 -2.079) 5.156 5.975 ( -8.667 1.469 -1.358) 8.895 6.003 ( -9.398 -1.134 -2.898) 9.900 6.306 ( 0.510 3.243 -4.749) 5.773 6.321 ( -0.831 2.078 -4.292) 4.840 6.364 ( -1.249 1.626 -4.796) 5.216 6.411 ( -3.313 -1.953 -4.047) 5.583 6.658 ( 7.028 2.548 0.801) 7.519 6.683 ( 7.050 0.446 -1.262) 7.176 6.741 ( 4.478 0.564 -0.476) 4.539 6.777 ( 3.600 -2.704 0.626) 4.545 7.241 ( 6.037 3.381 3.883) 7.935 7.322 ( 5.622 -4.876 0.771) 7.482 7.452 ( 2.339 1.480 -5.579) 6.227 7.463 ( 4.189 0.115 -5.975) 7.298 7.654 ( -7.304 5.972 4.406) 10.413 7.726 ( -8.132 0.191 2.992) 8.667 7.824 ( -12.024 1.714 0.657) 12.163 7.886 ( -12.559 -2.743 -1.433) 12.935 8.025 ( 5.207 3.402 4.967) 7.960 8.087 ( 5.581 -1.782 3.748) 6.955 8.195 ( 1.843 2.150 -2.744) 3.943 8.206 ( 1.307 0.885 -1.859) 2.439 8.351 ( -0.172 4.985 0.268) 4.995 8.367 ( 1.003 3.602 -0.132) 3.741 8.448 ( 1.365 -4.251 0.657) 4.513 8.461 ( -0.555 -4.994 0.040) 5.025 8.772 ( 2.058 3.141 0.560) 3.797 8.805 ( 2.960 0.919 -0.898) 3.227 8.865 ( -1.407 2.743 2.200) 3.788 8.911 ( -1.101 -0.656 0.774) 1.497 8.989 ( 0.892 -1.094 0.738) 1.593 9.014 ( 0.679 -0.362 -0.861) 1.155 9.052 ( 0.212 -3.782 0.161) 3.791 9.094 ( -0.655 -4.552 -1.669) 4.893 ======================= Grid point 97 (42/63) ======================= q-point: (-0.50 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( -8.855 3.145 -0.180) 9.398 1.027 ( 8.855 3.145 -0.180) 9.398 1.095 ( -8.706 -3.253 -0.646) 9.316 1.095 ( 8.706 -3.253 -0.646) 9.316 1.464 ( -1.755 0.817 -0.198) 1.946 1.464 ( 1.755 0.817 -0.198) 1.946 1.487 ( -1.693 -1.232 -0.028) 2.094 1.487 ( 1.693 -1.232 -0.028) 2.094 1.945 ( -0.756 5.430 0.451) 5.501 1.945 ( 0.756 5.430 0.451) 5.501 1.989 ( -1.627 0.841 0.517) 1.903 1.989 ( 1.627 0.841 0.517) 1.903 2.083 ( -0.620 1.909 -1.298) 2.391 2.083 ( 0.620 1.909 -1.298) 2.391 2.096 ( -1.677 0.392 -3.285) 3.709 2.096 ( 1.677 0.392 -3.285) 3.709 2.286 ( -0.584 0.776 0.087) 0.976 2.286 ( 0.584 0.776 0.087) 0.976 2.359 ( -1.796 -5.754 -2.225) 6.425 2.359 ( 1.796 -5.754 -2.225) 6.425 2.474 ( -5.583 5.371 1.740) 7.940 2.474 ( 5.583 5.371 1.740) 7.940 2.562 ( -3.530 -0.876 -1.954) 4.129 2.562 ( 3.530 -0.876 -1.954) 4.129 2.859 ( -7.475 1.340 3.767) 8.477 2.859 ( 7.475 1.340 3.767) 8.477 2.961 ( -5.619 -7.308 1.080) 9.282 2.961 ( 5.619 -7.308 1.080) 9.282 3.506 ( -3.011 2.053 0.720) 3.715 3.506 ( 3.011 2.053 0.720) 3.715 3.527 ( -2.446 -0.053 0.018) 2.447 3.527 ( 2.446 -0.053 0.018) 2.447 3.918 ( -2.444 5.030 0.857) 5.658 3.918 ( 2.444 5.030 0.857) 5.658 3.965 ( -2.822 1.017 0.055) 3.000 3.965 ( 2.822 1.017 0.055) 3.000 4.385 ( -0.940 5.648 0.312) 5.734 4.385 ( 0.940 5.648 0.312) 5.734 4.424 ( -1.500 1.761 1.323) 2.664 4.424 ( 1.500 1.761 1.323) 2.664 4.806 ( -0.934 1.595 1.373) 2.303 4.806 ( 0.934 1.595 1.373) 2.303 4.886 ( -2.205 -6.347 1.829) 6.964 4.886 ( 2.205 -6.347 1.829) 6.964 5.557 ( -3.838 1.093 -1.113) 4.143 5.557 ( 3.838 1.093 -1.113) 4.143 5.601 ( -4.283 -2.627 -0.845) 5.095 5.601 ( 4.283 -2.627 -0.845) 5.095 5.807 ( -1.999 3.141 2.474) 4.470 5.807 ( 1.999 3.141 2.474) 4.470 5.874 ( -1.369 -3.183 1.534) 3.789 5.874 ( 1.369 -3.183 1.534) 3.789 6.312 ( -0.468 4.234 -3.449) 5.481 6.312 ( 0.468 4.234 -3.449) 5.481 6.364 ( -1.221 -0.688 -5.084) 5.273 6.364 ( 1.221 -0.688 -5.084) 5.273 6.746 ( -0.687 3.821 0.398) 3.903 6.746 ( 0.687 3.821 0.398) 3.903 6.812 ( -1.034 -2.816 -2.539) 3.930 6.812 ( 1.034 -2.816 -2.539) 3.930 7.446 ( -10.134 3.927 2.149) 11.079 7.446 ( 10.134 3.927 2.149) 11.079 7.508 ( -8.507 -0.001 -0.485) 8.521 7.508 ( 8.507 -0.001 -0.485) 8.521 7.564 ( -2.902 1.126 -0.581) 3.167 7.564 ( 2.902 1.126 -0.581) 3.167 7.633 ( -6.414 -4.094 -0.275) 7.614 7.633 ( 6.414 -4.094 -0.275) 7.614 8.148 ( -5.059 3.996 2.107) 6.783 8.148 ( 5.059 3.996 2.107) 6.783 8.194 ( -3.449 -0.676 0.917) 3.633 8.194 ( 3.449 -0.676 0.917) 3.633 8.364 ( -1.097 4.421 -0.792) 4.624 8.364 ( 1.097 4.421 -0.792) 4.624 8.459 ( -0.237 -4.698 0.049) 4.704 8.459 ( 0.237 -4.698 0.049) 4.704 8.820 ( -2.026 3.717 1.268) 4.420 8.820 ( 2.026 3.717 1.268) 4.420 8.872 ( -2.345 -0.184 -0.432) 2.391 8.872 ( 2.345 -0.184 -0.432) 2.391 9.010 ( -0.862 -0.139 0.707) 1.124 9.010 ( 0.862 -0.139 0.707) 1.124 9.072 ( -1.286 -5.063 -1.107) 5.340 9.072 ( 1.286 -5.063 -1.107) 5.340 ======================= Grid point 130 (43/63) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( 0.000 0.000 -9.260) 9.260 0.610 ( 0.000 0.000 9.260) 9.260 0.729 ( 0.000 0.000 -12.334) 12.334 0.729 ( 0.000 0.000 12.334) 12.334 0.998 ( 0.000 0.000 -0.599) 0.599 0.998 ( 0.000 0.000 0.599) 0.599 1.165 ( 0.000 0.000 -7.239) 7.239 1.165 ( 0.000 0.000 7.239) 7.239 1.302 ( 0.000 0.000 -0.900) 0.900 1.302 ( 0.000 0.000 0.900) 0.900 1.437 ( 0.000 0.000 -7.026) 7.026 1.437 ( 0.000 0.000 7.026) 7.026 1.474 ( 0.000 0.000 -9.382) 9.382 1.474 ( 0.000 0.000 9.382) 9.382 1.528 ( 0.000 0.000 -25.243) 25.243 1.528 ( 0.000 0.000 25.243) 25.243 1.693 ( 0.000 0.000 -3.041) 3.041 1.693 ( 0.000 0.000 3.041) 3.041 1.930 ( 0.000 0.000 -0.474) 0.474 1.930 ( 0.000 0.000 0.474) 0.474 1.947 ( 0.000 0.000 -0.084) 0.084 1.947 ( 0.000 0.000 0.084) 0.084 2.148 ( 0.000 0.000 -1.522) 1.522 2.148 ( 0.000 0.000 1.522) 1.522 2.246 ( 0.000 0.000 -9.867) 9.867 2.246 ( 0.000 0.000 9.867) 9.867 2.946 ( 0.000 0.000 -8.644) 8.644 2.946 ( 0.000 0.000 8.644) 8.644 3.165 ( 0.000 0.000 -3.010) 3.010 3.165 ( 0.000 0.000 3.010) 3.010 3.346 ( 0.000 0.000 -0.668) 0.668 3.346 ( 0.000 0.000 0.668) 0.668 3.763 ( 0.000 0.000 -5.348) 5.348 3.763 ( 0.000 0.000 5.348) 5.348 3.953 ( 0.000 0.000 -6.131) 6.131 3.953 ( 0.000 0.000 6.131) 6.131 4.160 ( 0.000 0.000 -1.266) 1.266 4.160 ( 0.000 0.000 1.266) 1.266 4.280 ( 0.000 0.000 -4.338) 4.338 4.280 ( 0.000 0.000 4.338) 4.338 4.321 ( 0.000 0.000 -9.525) 9.525 4.321 ( 0.000 0.000 9.525) 9.525 4.913 ( 0.000 0.000 -3.375) 3.375 4.913 ( 0.000 0.000 3.375) 3.375 5.228 ( 0.000 0.000 -1.628) 1.628 5.228 ( 0.000 0.000 1.628) 1.628 5.358 ( 0.000 0.000 -13.079) 13.079 5.358 ( 0.000 0.000 13.079) 13.079 5.765 ( 0.000 0.000 -3.288) 3.288 5.765 ( 0.000 0.000 3.288) 3.288 5.975 ( 0.000 0.000 -6.456) 6.456 5.975 ( 0.000 0.000 6.456) 6.456 6.067 ( 0.000 0.000 -0.271) 0.271 6.067 ( 0.000 0.000 0.271) 0.271 6.158 ( 0.000 0.000 -3.622) 3.622 6.158 ( 0.000 0.000 3.622) 3.622 6.454 ( 0.000 0.000 -7.405) 7.405 6.454 ( 0.000 0.000 7.405) 7.405 6.481 ( 0.000 0.000 -9.285) 9.285 6.481 ( 0.000 0.000 9.285) 9.285 6.637 ( 0.000 0.000 -0.304) 0.304 6.637 ( 0.000 0.000 0.304) 0.304 7.059 ( 0.000 0.000 -6.030) 6.030 7.059 ( 0.000 0.000 6.030) 6.030 7.179 ( 0.000 0.000 -1.012) 1.012 7.179 ( 0.000 0.000 1.012) 1.012 7.317 ( 0.000 0.000 -1.133) 1.133 7.317 ( 0.000 0.000 1.133) 1.133 7.488 ( 0.000 0.000 -0.105) 0.105 7.488 ( 0.000 0.000 0.105) 0.105 7.822 ( 0.000 0.000 -0.736) 0.736 7.822 ( 0.000 0.000 0.736) 0.736 8.338 ( 0.000 0.000 -5.174) 5.174 8.338 ( 0.000 0.000 5.174) 5.174 8.493 ( 0.000 0.000 -2.343) 2.343 8.493 ( 0.000 0.000 2.343) 2.343 8.752 ( 0.000 0.000 -1.241) 1.241 8.752 ( 0.000 0.000 1.241) 1.241 8.974 ( 0.000 0.000 -1.019) 1.019 8.974 ( 0.000 0.000 1.019) 1.019 9.414 ( 0.000 0.000 -2.026) 2.026 9.414 ( 0.000 0.000 2.026) 2.026 9.673 ( 0.000 0.000 -1.431) 1.431 9.673 ( 0.000 0.000 1.431) 1.431 ======================= Grid point 132 (44/63) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( 4.135 0.000 -8.165) 9.153 0.783 ( 4.135 0.000 8.165) 9.153 0.806 ( 12.294 0.000 -6.095) 13.722 0.806 ( 12.294 0.000 6.095) 13.722 0.988 ( -0.882 0.000 -1.323) 1.590 0.988 ( -0.882 0.000 1.323) 1.590 1.164 ( -1.336 0.000 -2.570) 2.896 1.164 ( -1.336 0.000 2.570) 2.896 1.406 ( -1.966 0.000 -5.621) 5.955 1.406 ( -1.966 0.000 5.621) 5.955 1.485 ( 1.125 0.000 -9.222) 9.290 1.485 ( 1.125 0.000 9.222) 9.290 1.596 ( 9.679 0.000 -7.059) 11.980 1.596 ( 9.679 0.000 7.059) 11.980 1.627 ( -4.834 0.000 -5.475) 7.303 1.627 ( -4.834 0.000 5.475) 7.303 1.741 ( 20.845 0.000 -14.992) 25.676 1.741 ( 20.845 0.000 14.992) 25.676 1.949 ( 3.131 0.000 -2.194) 3.823 1.949 ( 3.131 0.000 2.194) 3.823 1.983 ( 2.333 0.000 -0.306) 2.353 1.983 ( 2.333 0.000 0.306) 2.353 2.143 ( -0.414 0.000 -1.062) 1.140 2.143 ( -0.414 0.000 1.062) 1.140 2.245 ( 0.492 0.000 -6.909) 6.926 2.245 ( 0.492 0.000 6.909) 6.926 2.807 ( -13.735 0.000 -11.046) 17.626 2.807 ( -13.735 0.000 11.046) 17.626 3.188 ( 3.389 0.000 -1.516) 3.713 3.188 ( 3.389 0.000 1.516) 3.713 3.378 ( 1.557 0.000 -3.581) 3.904 3.378 ( 1.557 0.000 3.581) 3.904 3.770 ( 1.321 0.000 -1.027) 1.673 3.770 ( 1.321 0.000 1.027) 1.673 3.948 ( -0.629 0.000 -8.151) 8.176 3.948 ( -0.629 0.000 8.151) 8.176 4.159 ( -0.247 0.000 -5.285) 5.291 4.159 ( -0.247 0.000 5.285) 5.291 4.297 ( 1.332 0.000 -3.234) 3.497 4.297 ( 1.332 0.000 3.234) 3.497 4.314 ( -0.605 0.000 -8.028) 8.050 4.314 ( -0.605 0.000 8.028) 8.050 4.877 ( -2.578 0.000 -1.812) 3.151 4.877 ( -2.578 0.000 1.812) 3.151 5.243 ( 1.075 0.000 -3.403) 3.569 5.243 ( 1.075 0.000 3.403) 3.569 5.390 ( 2.365 0.000 -9.036) 9.341 5.390 ( 2.365 0.000 9.036) 9.341 5.737 ( -2.019 0.000 -2.808) 3.459 5.737 ( -2.019 0.000 2.808) 3.459 5.754 ( -9.845 0.000 -4.319) 10.751 5.754 ( -9.845 0.000 4.319) 10.751 6.162 ( 1.928 0.000 -5.136) 5.486 6.162 ( 1.928 0.000 5.136) 5.486 6.207 ( 3.910 0.000 -5.413) 6.678 6.207 ( 3.910 0.000 5.413) 6.678 6.443 ( -3.294 0.000 -8.511) 9.126 6.443 ( -3.294 0.000 8.511) 9.126 6.524 ( 0.198 0.000 -4.027) 4.032 6.524 ( 0.198 0.000 4.027) 4.032 6.649 ( 5.726 0.000 -3.749) 6.844 6.649 ( 5.726 0.000 3.749) 6.844 7.088 ( 0.297 0.000 -1.026) 1.068 7.088 ( 0.297 0.000 1.026) 1.068 7.295 ( 10.022 0.000 -3.615) 10.654 7.295 ( 10.022 0.000 3.615) 10.654 7.322 ( 0.346 0.000 -0.783) 0.856 7.322 ( 0.346 0.000 0.783) 0.856 7.488 ( 0.026 0.000 -0.084) 0.088 7.488 ( 0.026 0.000 0.084) 0.088 7.752 ( -6.142 0.000 -3.346) 6.994 7.752 ( -6.142 0.000 3.346) 6.994 8.281 ( -3.882 0.000 -4.713) 6.106 8.281 ( -3.882 0.000 4.713) 6.106 8.425 ( -4.882 0.000 -2.332) 5.410 8.425 ( -4.882 0.000 2.332) 5.410 8.764 ( 1.171 0.000 -0.732) 1.381 8.764 ( 1.171 0.000 0.732) 1.381 8.970 ( -0.385 0.000 -0.793) 0.882 8.970 ( -0.385 0.000 0.793) 0.882 9.411 ( 0.029 0.000 -0.929) 0.929 9.411 ( 0.029 0.000 0.929) 0.929 9.667 ( -0.434 0.000 -0.523) 0.680 9.667 ( -0.434 0.000 0.523) 0.680 ======================= Grid point 134 (45/63) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( 0.000 0.000 0.000) 0.000 0.846 ( 0.000 0.000 0.000) 0.000 0.970 ( -0.000 0.000 0.000) 0.000 0.970 ( 0.000 0.000 0.000) 0.000 0.977 ( 0.000 0.000 0.000) 0.000 0.977 ( 0.000 0.000 0.000) 0.000 1.136 ( -0.000 0.000 0.000) 0.000 1.136 ( -0.000 0.000 0.000) 0.000 1.361 ( 0.000 0.000 0.000) 0.000 1.361 ( 0.000 0.000 0.000) 0.000 1.530 ( 0.000 0.000 -0.000) 0.000 1.530 ( 0.000 0.000 0.000) 0.000 1.533 ( 0.000 0.000 -0.000) 0.000 1.533 ( -0.000 0.000 0.000) 0.000 1.678 ( 0.000 0.000 -0.000) 0.000 1.678 ( 0.000 0.000 0.000) 0.000 2.013 ( 0.000 0.000 0.000) 0.000 2.013 ( 0.000 0.000 0.000) 0.000 2.021 ( 0.000 0.000 -0.000) 0.000 2.021 ( 0.000 0.000 -0.000) 0.000 2.041 ( -0.000 0.000 0.000) 0.000 2.041 ( 0.000 0.000 0.000) 0.000 2.136 ( 0.000 0.000 0.000) 0.000 2.136 ( 0.000 0.000 0.000) 0.000 2.354 ( -0.000 0.000 -0.000) 0.000 2.354 ( 0.000 0.000 0.000) 0.000 2.466 ( -0.000 0.000 -0.000) 0.000 2.466 ( -0.000 0.000 0.000) 0.000 3.288 ( -0.000 0.000 0.000) 0.000 3.288 ( 0.000 0.000 0.000) 0.000 3.348 ( 0.000 0.000 0.000) 0.000 3.348 ( 0.000 0.000 0.000) 0.000 3.811 ( 0.000 0.000 0.000) 0.000 3.811 ( 0.000 0.000 0.000) 0.000 3.930 ( 0.000 0.000 -0.000) 0.000 3.930 ( 0.000 0.000 0.000) 0.000 4.151 ( 0.000 0.000 0.000) 0.000 4.151 ( 0.000 0.000 0.000) 0.000 4.306 ( 0.000 0.000 0.000) 0.000 4.306 ( 0.000 0.000 0.000) 0.000 4.316 ( 0.000 0.000 0.000) 0.000 4.316 ( 0.000 0.000 0.000) 0.000 4.842 ( 0.000 0.000 0.000) 0.000 4.842 ( 0.000 0.000 0.000) 0.000 5.257 ( 0.000 0.000 0.000) 0.000 5.257 ( 0.000 0.000 0.000) 0.000 5.423 ( 0.000 0.000 0.000) 0.000 5.423 ( 0.000 0.000 0.000) 0.000 5.644 ( 0.000 0.000 0.000) 0.000 5.644 ( 0.000 0.000 0.000) 0.000 5.709 ( 0.000 0.000 0.000) 0.000 5.709 ( 0.000 0.000 0.000) 0.000 6.179 ( 0.000 0.000 0.000) 0.000 6.179 ( 0.000 0.000 0.000) 0.000 6.277 ( 0.000 0.000 -0.000) 0.000 6.277 ( 0.000 0.000 0.000) 0.000 6.380 ( -0.000 0.000 0.000) 0.000 6.380 ( 0.000 0.000 0.000) 0.000 6.495 ( 0.000 0.000 0.000) 0.000 6.495 ( 0.000 0.000 0.000) 0.000 6.769 ( -0.000 0.000 0.000) 0.000 6.769 ( 0.000 0.000 0.000) 0.000 7.063 ( 0.000 0.000 0.000) 0.000 7.063 ( 0.000 0.000 0.000) 0.000 7.327 ( 0.000 0.000 0.000) 0.000 7.327 ( 0.000 0.000 0.000) 0.000 7.488 ( 0.000 0.000 0.000) 0.000 7.488 ( 0.000 0.000 0.000) 0.000 7.507 ( -0.000 0.000 -0.000) 0.000 7.507 ( 0.000 0.000 0.000) 0.000 7.595 ( -0.000 0.000 0.000) 0.000 7.595 ( 0.000 0.000 0.000) 0.000 8.236 ( 0.000 0.000 0.000) 0.000 8.236 ( 0.000 0.000 0.000) 0.000 8.357 ( 0.000 0.000 0.000) 0.000 8.357 ( 0.000 0.000 0.000) 0.000 8.783 ( 0.000 0.000 0.000) 0.000 8.783 ( 0.000 0.000 0.000) 0.000 8.963 ( 0.000 0.000 0.000) 0.000 8.963 ( 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 9.661 ( 0.000 0.000 0.000) 0.000 9.661 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 140 (46/63) ======================= q-point: ( 0.00 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( 0.000 -0.388 -4.368) 4.386 0.600 ( 0.000 -0.388 4.368) 4.386 0.878 ( 0.000 9.293 -12.835) 15.846 0.878 ( 0.000 9.293 12.835) 15.846 1.123 ( 0.000 10.827 -0.094) 10.827 1.123 ( 0.000 10.827 0.094) 10.827 1.187 ( 0.000 3.735 -7.402) 8.291 1.187 ( 0.000 3.735 7.402) 8.291 1.246 ( 0.000 -2.095 -4.036) 4.547 1.246 ( 0.000 -2.095 4.036) 4.547 1.417 ( 0.000 4.759 -2.592) 5.419 1.417 ( 0.000 4.759 2.592) 5.419 1.465 ( 0.000 -0.298 -2.062) 2.083 1.465 ( 0.000 -0.298 2.062) 2.083 1.778 ( 0.000 8.841 -6.810) 11.160 1.778 ( 0.000 8.841 6.810) 11.160 1.832 ( 0.000 12.119 -0.972) 12.158 1.832 ( 0.000 12.119 0.972) 12.158 1.941 ( 0.000 5.744 -4.652) 7.391 1.941 ( 0.000 5.744 4.652) 7.391 2.057 ( 0.000 8.400 -7.622) 11.343 2.057 ( 0.000 8.400 7.622) 11.343 2.210 ( 0.000 8.499 -1.210) 8.584 2.210 ( 0.000 8.499 1.210) 8.584 2.358 ( 0.000 10.077 -8.139) 12.954 2.358 ( 0.000 10.077 8.139) 12.954 2.978 ( 0.000 3.639 -8.490) 9.237 2.978 ( 0.000 3.639 8.490) 9.237 3.165 ( 0.000 0.537 -2.804) 2.855 3.165 ( 0.000 0.537 2.804) 2.855 3.286 ( 0.000 -4.053 -1.027) 4.181 3.286 ( 0.000 -4.053 1.027) 4.181 3.666 ( 0.000 -7.197 -6.041) 9.397 3.666 ( 0.000 -7.197 6.041) 9.397 3.857 ( 0.000 -6.469 -3.789) 7.497 3.857 ( 0.000 -6.469 3.789) 7.497 4.082 ( 0.000 -6.854 -1.882) 7.108 4.082 ( 0.000 -6.854 1.882) 7.108 4.221 ( 0.000 -6.346 -8.680) 10.752 4.221 ( 0.000 -6.346 8.680) 10.752 4.516 ( 0.000 15.011 -7.788) 16.911 4.516 ( 0.000 15.011 7.788) 16.911 5.017 ( 0.000 6.286 -1.528) 6.469 5.017 ( 0.000 6.286 1.528) 6.469 5.181 ( 0.000 -2.227 -2.359) 3.244 5.181 ( 0.000 -2.227 2.359) 3.244 5.424 ( 0.000 6.150 -9.843) 11.607 5.424 ( 0.000 6.150 9.843) 11.607 5.835 ( 0.000 5.654 -0.320) 5.663 5.835 ( 0.000 5.654 0.320) 5.663 6.006 ( 0.000 1.486 -3.419) 3.728 6.006 ( 0.000 1.486 3.419) 3.728 6.121 ( 0.000 4.783 -5.130) 7.014 6.121 ( 0.000 4.783 5.130) 7.014 6.187 ( 0.000 5.496 -5.375) 7.688 6.187 ( 0.000 5.496 5.375) 7.688 6.408 ( 0.000 -4.497 -9.136) 10.183 6.408 ( 0.000 -4.497 9.136) 10.183 6.625 ( 0.000 8.478 -2.438) 8.821 6.625 ( 0.000 8.478 2.438) 8.821 6.733 ( 0.000 10.821 -3.017) 11.233 6.733 ( 0.000 10.821 3.017) 11.233 7.009 ( 0.000 -3.274 -6.530) 7.305 7.009 ( 0.000 -3.274 6.530) 7.305 7.193 ( 0.000 1.944 -1.561) 2.493 7.193 ( 0.000 1.944 1.561) 2.493 7.426 ( 0.000 7.305 -0.727) 7.341 7.426 ( 0.000 7.305 0.727) 7.341 7.483 ( 0.000 0.745 -1.314) 1.511 7.483 ( 0.000 0.745 1.314) 1.511 7.862 ( 0.000 3.618 -0.433) 3.643 7.862 ( 0.000 3.618 0.433) 3.643 8.341 ( 0.000 0.079 -5.329) 5.330 8.341 ( 0.000 0.079 5.329) 5.330 8.477 ( 0.000 -1.330 -1.758) 2.204 8.477 ( 0.000 -1.330 1.758) 2.204 8.741 ( 0.000 -0.763 -1.371) 1.569 8.741 ( 0.000 -0.763 1.371) 1.569 8.950 ( 0.000 -2.301 -1.253) 2.620 8.950 ( 0.000 -2.301 1.253) 2.620 9.370 ( 0.000 -3.968 -0.065) 3.969 9.370 ( 0.000 -3.968 0.065) 3.969 9.637 ( 0.000 -3.204 -1.093) 3.385 9.637 ( 0.000 -3.204 1.093) 3.385 ======================= Grid point 142 (47/63) ======================= q-point: ( 0.25 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( 11.410 -0.295 -2.508) 11.686 0.787 ( 11.410 -0.295 2.508) 11.686 0.924 ( 3.860 9.122 -7.456) 12.398 0.924 ( 3.860 9.122 7.456) 12.398 1.116 ( -0.806 10.054 -0.600) 10.104 1.116 ( -0.806 10.054 0.600) 10.104 1.209 ( 0.520 4.247 -2.348) 4.881 1.209 ( 0.520 4.247 2.348) 4.881 1.364 ( 0.037 0.117 -1.220) 1.226 1.364 ( 0.037 0.117 1.220) 1.226 1.462 ( 2.695 -2.925 -4.841) 6.265 1.462 ( 2.695 -2.925 4.841) 6.265 1.533 ( 8.794 1.395 -6.859) 11.240 1.533 ( 8.794 1.395 6.859) 11.240 1.750 ( -2.004 4.466 -2.153) 5.348 1.750 ( -2.004 4.466 2.153) 5.348 1.891 ( 5.933 9.990 -2.861) 11.966 1.891 ( 5.933 9.990 2.861) 11.966 1.990 ( 4.520 6.007 -6.355) 9.844 1.990 ( 4.520 6.007 6.355) 9.844 2.090 ( 2.782 9.012 -8.900) 12.968 2.090 ( 2.782 9.012 8.900) 12.968 2.223 ( 1.906 8.989 -2.958) 9.653 2.223 ( 1.906 8.989 2.958) 9.653 2.363 ( 0.653 11.184 -6.023) 12.719 2.363 ( 0.653 11.184 6.023) 12.719 2.843 ( -12.836 4.281 -10.593) 17.184 2.843 ( -12.836 4.281 10.593) 17.184 3.194 ( 3.036 1.055 -1.325) 3.477 3.194 ( 3.036 1.055 1.325) 3.477 3.339 ( 3.343 -3.125 -3.132) 5.546 3.339 ( 3.343 -3.125 3.132) 5.546 3.660 ( 0.874 -8.106 -2.781) 8.615 3.660 ( 0.874 -8.106 2.781) 8.615 3.848 ( -1.108 -6.781 -5.536) 8.824 3.848 ( -1.108 -6.781 5.536) 8.824 4.075 ( -0.412 -7.123 -2.877) 7.693 4.075 ( -0.412 -7.123 2.877) 7.693 4.194 ( -2.375 -6.632 -6.734) 9.745 4.194 ( -2.375 -6.632 6.734) 9.745 4.553 ( 2.928 15.331 -5.824) 16.659 4.553 ( 2.928 15.331 5.824) 16.659 4.954 ( -4.217 4.167 -1.926) 6.233 4.954 ( -4.217 4.167 1.926) 6.233 5.263 ( 5.795 2.927 -2.674) 7.021 5.263 ( 5.795 2.927 2.674) 7.021 5.443 ( 1.880 4.925 -6.748) 8.563 5.443 ( 1.880 4.925 6.748) 8.563 5.767 ( -9.704 5.843 -2.324) 11.563 5.767 ( -9.704 5.843 2.324) 11.563 5.871 ( -2.855 5.873 -1.447) 6.688 5.871 ( -2.855 5.873 1.447) 6.688 6.131 ( -0.710 0.486 -3.134) 3.250 6.131 ( -0.710 0.486 3.134) 3.250 6.247 ( 3.036 -0.759 -1.188) 3.347 6.247 ( 3.036 -0.759 1.188) 3.347 6.387 ( -0.608 0.087 -6.289) 6.319 6.387 ( -0.608 0.087 6.289) 6.319 6.605 ( -2.617 5.310 -3.422) 6.838 6.605 ( -2.617 5.310 3.422) 6.838 6.788 ( 4.360 11.584 -2.385) 12.605 6.788 ( 4.360 11.584 2.385) 12.605 7.066 ( 2.720 -1.868 -2.315) 4.031 7.066 ( 2.720 -1.868 2.315) 4.031 7.248 ( 5.193 -0.639 -3.514) 6.303 7.248 ( 5.193 -0.639 3.514) 6.303 7.418 ( -0.970 4.225 -2.583) 5.046 7.418 ( -0.970 4.225 2.583) 5.046 7.518 ( 3.672 4.363 -1.789) 5.977 7.518 ( 3.672 4.363 1.789) 5.977 7.809 ( -5.063 4.735 -1.288) 7.050 7.809 ( -5.063 4.735 1.288) 7.050 8.292 ( -3.446 0.905 -4.274) 5.564 8.292 ( -3.446 0.905 4.274) 5.564 8.416 ( -4.212 -0.547 -1.746) 4.593 8.416 ( -4.212 -0.547 1.746) 4.593 8.749 ( 0.794 -1.275 -0.715) 1.663 8.749 ( 0.794 -1.275 0.715) 1.663 8.944 ( -0.476 -2.421 -0.977) 2.654 8.944 ( -0.476 -2.421 0.977) 2.654 9.374 ( 0.428 -3.359 -0.750) 3.469 9.374 ( 0.428 -3.359 0.750) 3.469 9.635 ( -0.145 -2.940 -0.622) 3.008 9.635 ( -0.145 -2.940 0.622) 3.008 ======================= Grid point 144 (48/63) ======================= q-point: (-0.50 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 59 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( 0.000 0.253 0.000) 0.253 0.927 ( 0.000 0.253 0.000) 0.253 0.999 ( 0.000 11.053 0.000) 11.053 0.999 ( 0.000 11.053 0.000) 11.053 1.091 ( -0.000 5.109 0.000) 5.109 1.091 ( -0.000 5.109 0.000) 5.109 1.211 ( -0.000 7.610 0.000) 7.610 1.211 ( -0.000 7.610 0.000) 7.610 1.346 ( 0.000 1.851 0.000) 1.851 1.346 ( 0.000 1.851 0.000) 1.851 1.462 ( 0.000 -4.434 0.000) 4.434 1.462 ( 0.000 -4.434 0.000) 4.434 1.644 ( 0.000 7.658 -0.000) 7.658 1.644 ( 0.000 7.658 0.000) 7.658 1.717 ( 0.000 1.872 0.000) 1.872 1.717 ( 0.000 1.872 0.000) 1.872 1.998 ( 0.000 0.142 -0.000) 0.142 1.998 ( 0.000 0.142 -0.000) 0.142 2.037 ( 0.000 3.244 0.000) 3.244 2.037 ( 0.000 3.244 0.000) 3.244 2.155 ( 0.000 11.447 -0.000) 11.447 2.155 ( 0.000 11.447 0.000) 11.447 2.294 ( -0.000 8.451 -0.000) 8.451 2.294 ( 0.000 8.451 0.000) 8.451 2.451 ( 0.000 12.229 0.000) 12.229 2.451 ( 0.000 12.229 0.000) 12.229 2.529 ( -0.000 6.924 -0.000) 6.924 2.529 ( -0.000 6.924 0.000) 6.924 3.282 ( 0.000 -0.416 0.000) 0.416 3.282 ( 0.000 -0.416 0.000) 0.416 3.330 ( -0.000 -1.282 0.000) 1.282 3.330 ( 0.000 -1.282 0.000) 1.282 3.718 ( 0.000 -7.315 0.000) 7.315 3.718 ( 0.000 -7.315 0.000) 7.315 3.808 ( 0.000 -8.607 0.000) 8.607 3.808 ( 0.000 -8.607 0.000) 8.607 4.074 ( 0.000 -7.206 -0.000) 7.206 4.074 ( 0.000 -7.206 0.000) 7.206 4.153 ( 0.000 -6.739 0.000) 6.739 4.153 ( 0.000 -6.739 0.000) 6.739 4.598 ( 0.000 16.178 0.000) 16.178 4.598 ( 0.000 16.178 0.000) 16.178 4.895 ( 0.000 2.895 0.000) 2.895 4.895 ( 0.000 2.895 0.000) 2.895 5.344 ( 0.000 9.754 0.000) 9.754 5.344 ( 0.000 9.754 0.000) 9.754 5.545 ( -0.000 -3.976 -0.000) 3.976 5.545 ( 0.000 -3.976 0.000) 3.976 5.546 ( -0.000 9.599 -0.000) 9.599 5.546 ( 0.000 9.599 -0.000) 9.599 5.856 ( 0.000 6.672 0.000) 6.672 5.856 ( 0.000 6.672 0.000) 6.672 6.120 ( 0.000 -0.611 0.000) 0.611 6.120 ( 0.000 -0.611 0.000) 0.611 6.265 ( 0.000 -8.385 0.000) 8.385 6.265 ( 0.000 -8.385 0.000) 8.385 6.409 ( 0.000 8.500 0.000) 8.500 6.409 ( 0.000 8.500 0.000) 8.500 6.552 ( 0.000 3.671 0.000) 3.671 6.552 ( 0.000 3.671 0.000) 3.671 6.851 ( 0.000 7.523 0.000) 7.523 6.851 ( 0.000 7.523 0.000) 7.523 7.083 ( 0.000 1.741 0.000) 1.741 7.083 ( 0.000 1.741 0.000) 1.741 7.354 ( 0.000 3.025 -0.000) 3.025 7.354 ( 0.000 3.025 0.000) 3.025 7.380 ( 0.000 -4.068 0.000) 4.068 7.380 ( -0.000 -4.068 0.000) 4.068 7.646 ( -0.000 7.327 0.000) 7.327 7.646 ( 0.000 7.327 0.000) 7.327 7.660 ( -0.000 5.390 0.000) 5.390 7.660 ( 0.000 5.390 0.000) 5.390 8.249 ( 0.000 1.284 0.000) 1.284 8.249 ( 0.000 1.284 0.000) 1.284 8.359 ( 0.000 0.521 0.000) 0.521 8.359 ( 0.000 0.521 0.000) 0.521 8.762 ( 0.000 -1.869 0.000) 1.869 8.762 ( 0.000 -1.869 0.000) 1.869 8.937 ( 0.000 -2.491 0.000) 2.491 8.937 ( 0.000 -2.491 0.000) 2.491 9.381 ( 0.000 -3.030 0.000) 3.030 9.381 ( 0.000 -3.030 0.000) 3.030 9.633 ( 0.000 -2.714 0.000) 2.714 9.633 ( 0.000 -2.714 0.000) 2.714 ======================= Grid point 150 (49/63) ======================= q-point: ( 0.00 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( 0.000 -1.435 -2.855) 3.195 0.585 ( 0.000 -1.435 2.855) 3.195 1.031 ( 0.000 7.345 -11.629) 13.755 1.031 ( 0.000 7.345 11.629) 13.755 1.251 ( 0.000 2.081 -3.265) 3.871 1.251 ( 0.000 2.081 3.265) 3.871 1.339 ( 0.000 11.244 -3.823) 11.877 1.339 ( 0.000 11.244 3.823) 11.877 1.362 ( 0.000 11.155 -0.022) 11.155 1.362 ( 0.000 11.155 0.022) 11.155 1.455 ( 0.000 0.787 -1.400) 1.606 1.455 ( 0.000 0.787 1.400) 1.606 1.594 ( 0.000 9.030 -3.192) 9.578 1.594 ( 0.000 9.030 3.192) 9.578 1.852 ( 0.000 3.896 -3.684) 5.362 1.852 ( 0.000 3.896 3.684) 5.362 1.938 ( 0.000 -1.707 -1.991) 2.623 1.938 ( 0.000 -1.707 1.991) 2.623 2.107 ( 0.000 8.752 -1.623) 8.902 2.107 ( 0.000 8.752 1.623) 8.902 2.399 ( 0.000 18.884 -9.354) 21.073 2.399 ( 0.000 18.884 9.354) 21.073 2.456 ( 0.000 15.399 -4.589) 16.069 2.456 ( 0.000 15.399 4.589) 16.069 2.602 ( 0.000 13.561 -4.066) 14.157 2.602 ( 0.000 13.561 4.066) 14.157 3.087 ( 0.000 3.800 -2.523) 4.561 3.087 ( 0.000 3.800 2.523) 4.561 3.196 ( 0.000 5.098 -3.086) 5.959 3.196 ( 0.000 5.098 3.086) 5.959 3.290 ( 0.000 6.247 -0.313) 6.255 3.290 ( 0.000 6.247 0.313) 6.255 3.512 ( 0.000 -8.293 -3.883) 9.157 3.512 ( 0.000 -8.293 3.883) 9.157 3.718 ( 0.000 -7.105 -2.536) 7.545 3.718 ( 0.000 -7.105 2.536) 7.545 3.940 ( 0.000 -6.338 -0.334) 6.347 3.940 ( 0.000 -6.338 0.334) 6.347 4.072 ( 0.000 -7.596 -5.774) 9.541 4.072 ( 0.000 -7.596 5.774) 9.541 4.752 ( 0.000 6.559 -8.222) 10.518 4.752 ( 0.000 6.559 8.222) 10.518 5.117 ( 0.000 1.415 -3.229) 3.525 5.117 ( 0.000 1.415 3.229) 3.525 5.205 ( 0.000 9.049 -0.616) 9.070 5.205 ( 0.000 9.049 0.616) 9.070 5.550 ( 0.000 4.351 -4.079) 5.964 5.550 ( 0.000 4.351 4.079) 5.964 5.920 ( 0.000 0.892 -0.276) 0.933 5.920 ( 0.000 0.892 0.276) 0.933 6.065 ( 0.000 4.586 -1.196) 4.740 6.065 ( 0.000 4.586 1.196) 4.740 6.184 ( 0.000 0.924 -2.236) 2.419 6.184 ( 0.000 0.924 2.236) 2.419 6.283 ( 0.000 2.967 -2.975) 4.201 6.283 ( 0.000 2.967 2.975) 4.201 6.466 ( 0.000 10.304 -1.015) 10.354 6.466 ( 0.000 10.304 1.015) 10.354 6.700 ( 0.000 2.592 -5.829) 6.379 6.700 ( 0.000 2.592 5.829) 6.379 6.871 ( 0.000 -3.863 -0.922) 3.972 6.871 ( 0.000 -3.863 0.922) 3.972 7.098 ( 0.000 14.889 -4.020) 15.422 7.098 ( 0.000 14.889 4.020) 15.422 7.275 ( 0.000 7.038 -1.938) 7.300 7.275 ( 0.000 7.038 1.938) 7.300 7.467 ( 0.000 0.691 -4.655) 4.706 7.467 ( 0.000 0.691 4.655) 4.706 7.608 ( 0.000 7.307 -1.155) 7.398 7.608 ( 0.000 7.307 1.155) 7.398 7.951 ( 0.000 5.040 -1.246) 5.192 7.951 ( 0.000 5.040 1.246) 5.192 8.326 ( 0.000 -1.827 -5.807) 6.088 8.326 ( 0.000 -1.827 5.807) 6.088 8.464 ( 0.000 0.584 -0.320) 0.666 8.464 ( 0.000 0.584 0.320) 0.666 8.740 ( 0.000 0.873 -1.803) 2.003 8.740 ( 0.000 0.873 1.803) 2.003 8.887 ( 0.000 -3.893 -1.522) 4.180 8.887 ( 0.000 -3.893 1.522) 4.180 9.277 ( 0.000 -4.884 -1.598) 5.139 9.277 ( 0.000 -4.884 1.598) 5.139 9.558 ( 0.000 -4.520 -1.025) 4.635 9.558 ( 0.000 -4.520 1.025) 4.635 ======================= Grid point 152 (50/63) ======================= q-point: ( 0.25 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( 13.134 -0.519 -3.120) 13.510 0.783 ( 13.134 -0.519 3.120) 13.510 1.077 ( 3.337 6.714 -6.940) 10.217 1.077 ( 3.337 6.714 6.940) 10.217 1.247 ( -0.992 1.082 -2.618) 3.001 1.247 ( -0.992 1.082 2.618) 3.001 1.307 ( -2.290 6.601 -1.551) 7.157 1.307 ( -2.290 6.601 1.551) 7.157 1.430 ( 2.099 6.076 -0.224) 6.432 1.430 ( 2.099 6.076 0.224) 6.432 1.531 ( 2.721 7.941 -1.898) 8.606 1.531 ( 2.721 7.941 1.898) 8.606 1.626 ( 7.233 7.308 -3.219) 10.775 1.626 ( 7.233 7.308 3.219) 10.775 1.818 ( -2.275 4.159 -2.711) 5.461 1.818 ( -2.275 4.159 2.711) 5.461 1.963 ( 1.698 -1.521 -3.360) 4.060 1.963 ( 1.698 -1.521 3.360) 4.060 2.102 ( -0.812 5.325 -2.419) 5.905 2.102 ( -0.812 5.325 2.419) 5.905 2.417 ( 1.948 16.843 -7.151) 18.402 2.417 ( 1.948 16.843 7.151) 18.402 2.487 ( 2.204 17.185 -9.775) 19.894 2.487 ( 2.204 17.185 9.775) 19.894 2.614 ( 2.059 12.564 -4.189) 13.403 2.614 ( 2.059 12.564 4.189) 13.403 3.004 ( -9.232 11.220 -8.476) 16.821 3.004 ( -9.232 11.220 8.476) 16.821 3.242 ( 3.040 2.215 -0.662) 3.819 3.242 ( 3.040 2.215 0.662) 3.819 3.305 ( 2.691 2.539 -0.148) 3.703 3.305 ( 2.691 2.539 0.148) 3.703 3.517 ( 1.341 -5.765 -2.840) 6.565 3.517 ( 1.341 -5.765 2.840) 6.565 3.712 ( -0.842 -6.592 -3.059) 7.316 3.712 ( -0.842 -6.592 3.059) 7.316 3.915 ( -1.921 -7.958 -1.348) 8.297 3.915 ( -1.921 -7.958 1.348) 8.297 4.046 ( -2.090 -7.150 -4.129) 8.517 4.046 ( -2.090 -7.150 4.129) 8.517 4.798 ( 3.933 7.030 -8.252) 11.532 4.798 ( 3.933 7.030 8.252) 11.532 5.030 ( -5.151 4.136 -5.063) 8.323 5.030 ( -5.151 4.136 5.063) 8.323 5.337 ( 9.121 6.047 -1.316) 11.022 5.337 ( 9.121 6.047 1.316) 11.022 5.571 ( 1.375 5.374 -3.066) 6.338 5.571 ( 1.375 5.374 3.066) 6.338 5.898 ( -2.508 0.685 -1.512) 3.008 5.898 ( -2.508 0.685 1.512) 3.008 5.952 ( -9.108 7.915 -2.187) 12.263 5.952 ( -9.108 7.915 2.187) 12.263 6.151 ( -3.426 -3.763 -5.271) 7.327 6.151 ( -3.426 -3.763 5.271) 7.327 6.198 ( -3.106 2.590 -3.506) 5.353 6.198 ( -3.106 2.590 3.506) 5.353 6.503 ( 3.409 7.921 -2.286) 8.921 6.503 ( 3.409 7.921 2.286) 8.921 6.704 ( -2.114 4.930 -0.345) 5.376 6.704 ( -2.114 4.930 0.345) 5.376 6.958 ( 6.065 0.504 -0.744) 6.131 6.958 ( 6.065 0.504 0.744) 6.131 7.098 ( 0.333 8.691 -5.157) 10.111 7.098 ( 0.333 8.691 5.157) 10.111 7.284 ( 2.358 4.909 -3.141) 6.287 7.284 ( 2.358 4.909 3.141) 6.287 7.514 ( -0.410 6.169 -0.862) 6.242 7.514 ( -0.410 6.169 0.862) 6.242 7.626 ( 4.523 5.234 -4.885) 8.469 7.626 ( 4.523 5.234 4.885) 8.469 7.914 ( -3.875 5.548 -1.576) 6.948 7.914 ( -3.875 5.548 1.576) 6.948 8.299 ( -1.922 -0.704 -3.502) 4.056 8.299 ( -1.922 -0.704 3.502) 4.056 8.424 ( -2.661 1.845 -0.176) 3.243 8.424 ( -2.661 1.845 0.176) 3.243 8.730 ( -0.480 -0.156 -0.996) 1.117 8.730 ( -0.480 -0.156 0.996) 1.117 8.880 ( -0.518 -3.823 -1.217) 4.045 8.880 ( -0.518 -3.823 1.217) 4.045 9.292 ( 1.031 -4.462 -1.199) 4.734 9.292 ( 1.031 -4.462 1.199) 4.734 9.559 ( 0.033 -4.524 -0.697) 4.577 9.559 ( 0.033 -4.524 0.697) 4.577 ======================= Grid point 154 (51/63) ======================= q-point: (-0.50 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 59 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( 0.000 3.461 -0.000) 3.461 0.967 ( 0.000 3.461 0.000) 3.461 1.136 ( 0.000 0.849 -0.000) 0.849 1.136 ( 0.000 0.849 0.000) 0.849 1.181 ( -0.000 4.966 0.000) 4.966 1.181 ( -0.000 4.966 0.000) 4.966 1.308 ( 0.000 1.301 -0.000) 1.301 1.308 ( 0.000 1.301 -0.000) 1.301 1.439 ( 0.000 5.921 0.000) 5.921 1.439 ( 0.000 5.921 0.000) 5.921 1.528 ( 0.000 11.241 0.000) 11.241 1.528 ( 0.000 11.241 0.000) 11.241 1.770 ( 0.000 4.523 -0.000) 4.523 1.770 ( 0.000 4.523 0.000) 4.523 1.782 ( 0.000 6.317 -0.000) 6.317 1.782 ( -0.000 6.317 0.000) 6.317 2.002 ( 0.000 -0.684 -0.000) 0.684 2.002 ( 0.000 -0.684 0.000) 0.684 2.068 ( -0.000 -0.102 -0.000) 0.102 2.068 ( 0.000 -0.102 0.000) 0.102 2.456 ( 0.000 16.486 0.000) 16.486 2.456 ( 0.000 16.486 0.000) 16.486 2.507 ( -0.000 12.934 -0.000) 12.934 2.507 ( 0.000 12.934 0.000) 12.934 2.744 ( 0.000 13.366 -0.000) 13.366 2.744 ( 0.000 13.366 0.000) 13.366 2.769 ( -0.000 16.481 0.000) 16.481 2.769 ( 0.000 16.481 0.000) 16.481 3.285 ( 0.000 1.452 0.000) 1.452 3.285 ( 0.000 1.452 0.000) 1.452 3.330 ( 0.000 1.995 0.000) 1.995 3.330 ( 0.000 1.995 0.000) 1.995 3.581 ( 0.000 -5.339 0.000) 5.339 3.581 ( 0.000 -5.339 0.000) 5.339 3.676 ( 0.000 -4.170 0.000) 4.170 3.676 ( 0.000 -4.170 0.000) 4.170 3.889 ( 0.000 -10.505 0.000) 10.505 3.889 ( -0.000 -10.505 0.000) 10.505 4.014 ( 0.000 -6.410 0.000) 6.410 4.014 ( 0.000 -6.410 0.000) 6.410 4.884 ( -0.000 10.593 -0.000) 10.593 4.884 ( 0.000 10.593 0.000) 10.593 4.935 ( 0.000 1.442 -0.000) 1.442 4.935 ( -0.000 1.442 0.000) 1.442 5.536 ( -0.000 3.795 0.000) 3.795 5.536 ( 0.000 3.795 0.000) 3.795 5.543 ( 0.000 6.805 0.000) 6.805 5.543 ( 0.000 6.805 0.000) 6.805 5.768 ( 0.000 12.451 0.000) 12.451 5.768 ( 0.000 12.451 0.000) 12.451 5.885 ( 0.000 -2.094 0.000) 2.094 5.885 ( 0.000 -2.094 0.000) 2.094 6.101 ( 0.000 -6.914 0.000) 6.914 6.101 ( 0.000 -6.914 0.000) 6.914 6.172 ( 0.000 2.645 0.000) 2.645 6.172 ( 0.000 2.645 0.000) 2.645 6.582 ( -0.000 8.483 -0.000) 8.483 6.582 ( 0.000 8.483 0.000) 8.483 6.633 ( 0.000 4.426 0.000) 4.426 6.633 ( 0.000 4.426 0.000) 4.426 7.032 ( 0.000 9.507 0.000) 9.507 7.032 ( 0.000 9.507 0.000) 9.507 7.104 ( 0.000 0.163 0.000) 0.163 7.104 ( 0.000 0.163 0.000) 0.163 7.362 ( 0.000 2.390 0.000) 2.390 7.362 ( 0.000 2.390 0.000) 2.390 7.452 ( 0.000 6.459 0.000) 6.459 7.452 ( 0.000 6.459 0.000) 6.459 7.774 ( 0.000 5.849 -0.000) 5.849 7.774 ( 0.000 5.849 0.000) 5.849 7.788 ( -0.000 7.072 -0.000) 7.072 7.788 ( -0.000 7.072 0.000) 7.072 8.273 ( 0.000 0.431 0.000) 0.431 8.273 ( 0.000 0.431 0.000) 0.431 8.392 ( 0.000 2.844 0.000) 2.844 8.392 ( 0.000 2.844 0.000) 2.844 8.726 ( 0.000 -1.171 0.000) 1.171 8.726 ( 0.000 -1.171 0.000) 1.171 8.873 ( 0.000 -3.704 0.000) 3.704 8.873 ( 0.000 -3.704 0.000) 3.704 9.306 ( 0.000 -4.168 0.000) 4.168 9.306 ( 0.000 -4.168 0.000) 4.168 9.559 ( 0.000 -4.494 0.000) 4.494 9.559 ( 0.000 -4.494 0.000) 4.494 ======================= Grid point 160 (52/63) ======================= q-point: ( 0.00 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( 0.000 -1.223 -0.734) 1.426 0.553 ( 0.000 -1.223 0.734) 1.426 1.192 ( 0.000 8.130 -3.316) 8.780 1.192 ( 0.000 8.130 3.316) 8.780 1.298 ( 0.000 2.133 -3.595) 4.180 1.298 ( 0.000 2.133 3.595) 4.180 1.459 ( 0.000 1.861 -0.588) 1.952 1.459 ( 0.000 1.861 0.588) 1.952 1.567 ( 0.000 9.671 -0.396) 9.679 1.567 ( 0.000 9.671 0.396) 9.679 1.609 ( 0.000 11.940 -4.080) 12.618 1.609 ( 0.000 11.940 4.080) 12.618 1.739 ( 0.000 5.645 -3.727) 6.765 1.739 ( 0.000 5.645 3.727) 6.765 1.914 ( 0.000 0.176 -2.512) 2.518 1.914 ( 0.000 0.176 2.512) 2.518 1.962 ( 0.000 6.650 -2.867) 7.242 1.962 ( 0.000 6.650 2.867) 7.242 2.205 ( 0.000 2.312 -3.674) 4.341 2.205 ( 0.000 2.312 3.674) 4.341 2.558 ( 0.000 0.053 -5.964) 5.965 2.558 ( 0.000 0.053 5.964) 5.965 2.836 ( 0.000 14.816 -7.434) 16.577 2.836 ( 0.000 14.816 7.434) 16.577 2.875 ( 0.000 12.067 -3.048) 12.446 2.875 ( 0.000 12.067 3.048) 12.446 3.087 ( 0.000 0.286 -2.452) 2.468 3.087 ( 0.000 0.286 2.452) 2.468 3.333 ( 0.000 -4.642 -0.206) 4.647 3.333 ( 0.000 -4.642 0.206) 4.647 3.401 ( 0.000 5.677 -3.366) 6.600 3.401 ( 0.000 5.677 3.366) 6.600 3.508 ( 0.000 15.435 -1.288) 15.489 3.508 ( 0.000 15.435 1.288) 15.489 3.606 ( 0.000 -3.302 -5.691) 6.579 3.606 ( 0.000 -3.302 5.691) 6.579 3.822 ( 0.000 -4.657 -0.984) 4.760 3.822 ( 0.000 -4.657 0.984) 4.760 4.009 ( 0.000 3.238 -1.171) 3.443 4.009 ( 0.000 3.238 1.171) 3.443 4.813 ( 0.000 1.181 -7.713) 7.803 4.813 ( 0.000 1.181 7.713) 7.803 5.107 ( 0.000 -1.454 -7.096) 7.244 5.107 ( 0.000 -1.454 7.096) 7.244 5.460 ( 0.000 12.326 -0.256) 12.329 5.460 ( 0.000 12.326 0.256) 12.329 5.596 ( 0.000 1.340 -0.804) 1.563 5.596 ( 0.000 1.340 0.804) 1.563 5.883 ( 0.000 -3.257 -0.382) 3.279 5.883 ( 0.000 -3.257 0.382) 3.279 6.062 ( 0.000 -3.640 -1.958) 4.133 6.062 ( 0.000 -3.640 1.958) 4.133 6.243 ( 0.000 3.642 -2.033) 4.170 6.243 ( 0.000 3.642 2.033) 4.170 6.385 ( 0.000 5.730 -0.605) 5.762 6.385 ( 0.000 5.730 0.605) 5.762 6.576 ( 0.000 0.064 -3.329) 3.329 6.576 ( 0.000 0.064 3.329) 3.329 6.768 ( 0.000 -3.846 -1.531) 4.140 6.768 ( 0.000 -3.846 1.531) 4.140 6.845 ( 0.000 10.450 -3.736) 11.098 6.845 ( 0.000 10.450 3.736) 11.098 7.330 ( 0.000 7.987 -8.099) 11.375 7.330 ( 0.000 7.987 8.099) 11.375 7.491 ( 0.000 3.008 -3.154) 4.359 7.491 ( 0.000 3.008 3.154) 4.359 7.530 ( 0.000 15.422 -2.738) 15.663 7.530 ( 0.000 15.422 2.738) 15.663 7.719 ( 0.000 4.031 -0.652) 4.084 7.719 ( 0.000 4.031 0.652) 4.084 8.057 ( 0.000 5.119 -1.987) 5.491 8.057 ( 0.000 5.119 1.987) 5.491 8.276 ( 0.000 -2.660 -5.473) 6.085 8.276 ( 0.000 -2.660 5.473) 6.085 8.501 ( 0.000 2.776 -0.512) 2.823 8.501 ( 0.000 2.776 0.512) 2.823 8.770 ( 0.000 1.369 -2.239) 2.624 8.770 ( 0.000 1.369 2.239) 2.624 8.804 ( 0.000 -3.570 -1.887) 4.038 8.804 ( 0.000 -3.570 1.887) 4.038 9.184 ( 0.000 -4.236 -1.515) 4.498 9.184 ( 0.000 -4.236 1.515) 4.498 9.456 ( 0.000 -5.710 -0.692) 5.752 9.456 ( 0.000 -5.710 0.692) 5.752 ======================= Grid point 162 (53/63) ======================= q-point: ( 0.25 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( 14.919 -1.277 -2.233) 15.139 0.762 ( 14.919 -1.277 2.233) 15.139 1.208 ( -0.934 5.973 -2.929) 6.718 1.208 ( -0.934 5.973 2.929) 6.718 1.275 ( -0.551 2.312 -5.411) 5.910 1.275 ( -0.551 2.312 5.411) 5.910 1.421 ( -3.044 4.639 -1.684) 5.798 1.421 ( -3.044 4.639 1.684) 5.798 1.556 ( -0.117 6.317 -1.606) 6.519 1.556 ( -0.117 6.317 1.606) 6.519 1.702 ( 3.734 8.069 -1.097) 8.958 1.702 ( 3.734 8.069 1.097) 8.958 1.779 ( 5.527 7.409 -1.972) 9.451 1.779 ( 5.527 7.409 1.972) 9.451 1.908 ( 0.160 2.779 -2.259) 3.585 1.908 ( 0.160 2.779 2.259) 3.585 1.974 ( 0.379 5.136 -2.594) 5.766 1.974 ( 0.379 5.136 2.594) 5.766 2.155 ( -4.292 0.950 -2.571) 5.092 2.155 ( -4.292 0.950 2.571) 5.092 2.598 ( 3.767 1.536 -4.734) 6.242 2.598 ( 3.767 1.536 4.734) 6.242 2.796 ( -2.715 8.822 -0.843) 9.269 2.796 ( -2.715 8.822 0.843) 9.269 2.900 ( 2.518 15.301 -5.907) 16.594 2.900 ( 2.518 15.301 5.907) 16.594 3.165 ( 0.069 1.138 -0.654) 1.314 3.165 ( 0.069 1.138 0.654) 1.314 3.282 ( 0.758 4.912 -1.151) 5.102 3.282 ( 0.758 4.912 1.151) 5.102 3.422 ( -0.233 1.975 -3.395) 3.935 3.422 ( -0.233 1.975 3.395) 3.935 3.515 ( 2.188 8.501 -4.192) 9.728 3.515 ( 2.188 8.501 4.192) 9.728 3.612 ( 0.519 0.390 -2.756) 2.831 3.612 ( 0.519 0.390 2.756) 2.831 3.776 ( -3.944 -5.251 -1.658) 6.773 3.776 ( -3.944 -5.251 1.658) 6.773 3.994 ( -1.228 3.789 -0.925) 4.089 3.994 ( -1.228 3.789 0.925) 4.089 4.862 ( 4.135 0.913 -8.180) 9.211 4.862 ( 4.135 0.913 8.180) 9.211 5.076 ( -2.929 0.135 -8.127) 8.640 5.076 ( -2.929 0.135 8.127) 8.640 5.506 ( 4.501 7.775 -0.908) 9.029 5.506 ( 4.501 7.775 0.908) 9.029 5.639 ( 3.067 2.875 -1.554) 4.482 5.639 ( 3.067 2.875 1.554) 4.482 5.858 ( -2.156 -2.841 -2.252) 4.219 5.858 ( -2.156 -2.841 2.252) 4.219 6.008 ( -4.179 -2.351 -3.001) 5.657 6.008 ( -4.179 -2.351 3.001) 5.657 6.189 ( -5.115 4.724 -3.702) 7.886 6.189 ( -5.115 4.724 3.702) 7.886 6.240 ( -8.459 2.497 -3.877) 9.634 6.240 ( -8.459 2.497 3.877) 9.634 6.602 ( 3.673 1.833 -7.900) 8.903 6.602 ( 3.673 1.833 7.900) 8.903 6.790 ( -1.277 1.552 -6.714) 7.009 6.790 ( -1.277 1.552 6.714) 7.009 6.981 ( 9.838 5.325 -3.569) 11.743 6.981 ( 9.838 5.325 3.569) 11.743 7.273 ( -2.946 8.106 -7.959) 11.736 7.273 ( -2.946 8.106 7.959) 11.736 7.433 ( -1.423 7.483 -2.626) 8.057 7.433 ( -1.423 7.483 2.626) 8.057 7.633 ( -0.383 4.830 -3.178) 5.794 7.633 ( -0.383 4.830 3.178) 5.794 7.753 ( 6.771 8.806 -4.403) 11.949 7.753 ( 6.771 8.806 4.403) 11.949 8.026 ( -3.125 5.209 -2.664) 6.633 8.026 ( -3.125 5.209 2.664) 6.633 8.262 ( -0.861 -2.485 -3.534) 4.406 8.262 ( -0.861 -2.485 3.534) 4.406 8.483 ( -1.433 3.520 -0.773) 3.878 8.483 ( -1.433 3.520 0.773) 3.878 8.748 ( -1.457 1.633 -1.663) 2.749 8.748 ( -1.457 1.633 1.663) 2.749 8.800 ( -0.187 -3.764 -1.351) 4.003 8.800 ( -0.187 -3.764 1.351) 4.003 9.206 ( 1.422 -4.027 -1.088) 4.407 9.206 ( 1.422 -4.027 1.088) 4.407 9.456 ( -0.001 -5.749 -0.499) 5.771 9.456 ( -0.001 -5.749 0.499) 5.771 ======================= Grid point 164 (54/63) ======================= q-point: (-0.50 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 59 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 0.000 4.508 -0.000) 4.508 1.052 ( 0.000 4.508 0.000) 4.508 1.070 ( -0.000 -4.675 -0.000) 4.675 1.070 ( -0.000 -4.675 0.000) 4.675 1.303 ( -0.000 6.997 0.000) 6.997 1.303 ( 0.000 6.997 0.000) 6.997 1.372 ( -0.000 3.648 -0.000) 3.648 1.372 ( 0.000 3.648 0.000) 3.648 1.552 ( 0.000 5.207 0.000) 5.207 1.552 ( 0.000 5.207 0.000) 5.207 1.726 ( 0.000 7.760 0.000) 7.760 1.726 ( 0.000 7.760 0.000) 7.760 1.890 ( 0.000 3.624 -0.000) 3.624 1.890 ( 0.000 3.624 0.000) 3.624 1.915 ( 0.000 9.436 -0.000) 9.436 1.915 ( 0.000 9.436 0.000) 9.436 2.006 ( 0.000 2.705 -0.000) 2.705 2.006 ( 0.000 2.705 0.000) 2.705 2.053 ( -0.000 -0.930 -0.000) 0.930 2.053 ( -0.000 -0.930 0.000) 0.930 2.690 ( -0.000 2.677 0.000) 2.677 2.690 ( 0.000 2.677 0.000) 2.677 2.722 ( 0.000 8.074 -0.000) 8.074 2.722 ( 0.000 8.074 0.000) 8.074 2.989 ( -0.000 8.938 0.000) 8.938 2.989 ( 0.000 8.938 0.000) 8.938 3.054 ( -0.000 11.747 0.000) 11.747 3.054 ( 0.000 11.747 0.000) 11.747 3.370 ( 0.000 0.647 -0.000) 0.647 3.370 ( 0.000 0.647 0.000) 0.647 3.375 ( -0.000 6.958 -0.000) 6.958 3.375 ( -0.000 6.958 0.000) 6.958 3.603 ( -0.000 10.020 -0.000) 10.020 3.603 ( 0.000 10.020 -0.000) 10.020 3.606 ( -0.000 -3.461 0.000) 3.461 3.606 ( 0.000 -3.461 0.000) 3.461 3.699 ( 0.000 -6.906 0.000) 6.906 3.699 ( 0.000 -6.906 0.000) 6.906 3.974 ( 0.000 4.295 0.000) 4.295 3.974 ( 0.000 4.295 0.000) 4.295 4.947 ( 0.000 -0.658 -0.000) 0.658 4.947 ( -0.000 -0.658 0.000) 0.658 5.006 ( -0.000 2.706 -0.000) 2.706 5.006 ( 0.000 2.706 0.000) 2.706 5.606 ( -0.000 0.770 -0.000) 0.770 5.606 ( -0.000 0.770 0.000) 0.770 5.661 ( 0.000 5.865 0.000) 5.865 5.661 ( 0.000 5.865 0.000) 5.865 5.836 ( 0.000 -1.728 0.000) 1.728 5.836 ( 0.000 -1.728 0.000) 1.728 5.927 ( 0.000 0.761 0.000) 0.761 5.927 ( 0.000 0.761 0.000) 0.761 6.080 ( 0.000 6.400 0.000) 6.400 6.080 ( 0.000 6.400 0.000) 6.400 6.172 ( 0.000 -1.813 0.000) 1.813 6.172 ( 0.000 -1.813 0.000) 1.813 6.695 ( -0.000 1.886 -0.000) 1.886 6.695 ( 0.000 1.886 0.000) 1.886 6.722 ( 0.000 4.014 0.000) 4.014 6.722 ( 0.000 4.014 0.000) 4.014 7.150 ( -0.000 5.640 0.000) 5.640 7.150 ( 0.000 5.640 0.000) 5.640 7.200 ( -0.000 6.825 0.000) 6.825 7.200 ( 0.000 6.825 0.000) 6.825 7.434 ( 0.000 3.801 0.000) 3.801 7.434 ( 0.000 3.801 0.000) 3.801 7.592 ( 0.000 7.312 0.000) 7.312 7.592 ( 0.000 7.312 0.000) 7.312 7.900 ( 0.000 6.380 -0.000) 6.380 7.900 ( 0.000 6.380 0.000) 6.380 7.938 ( -0.000 7.822 -0.000) 7.822 7.938 ( -0.000 7.822 0.000) 7.822 8.250 ( 0.000 -2.436 0.000) 2.436 8.250 ( 0.000 -2.436 0.000) 2.436 8.463 ( 0.000 3.954 0.000) 3.954 8.463 ( 0.000 3.954 0.000) 3.954 8.730 ( 0.000 1.501 0.000) 1.501 8.730 ( 0.000 1.501 0.000) 1.501 8.798 ( 0.000 -3.487 0.000) 3.487 8.798 ( 0.000 -3.487 0.000) 3.487 9.224 ( 0.000 -3.861 0.000) 3.861 9.224 ( 0.000 -3.861 0.000) 3.861 9.456 ( 0.000 -5.781 0.000) 5.781 9.456 ( 0.000 -5.781 0.000) 5.781 ======================= Grid point 170 (55/63) ======================= q-point: ( 0.00 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( 0.000 0.655 -2.663) 2.743 0.548 ( 0.000 0.655 2.663) 2.743 1.306 ( 0.000 1.290 -3.282) 3.527 1.306 ( 0.000 1.290 3.282) 3.527 1.351 ( 0.000 4.822 -0.148) 4.824 1.351 ( 0.000 4.822 0.148) 4.824 1.505 ( 0.000 2.369 -0.102) 2.371 1.505 ( 0.000 2.369 0.102) 2.371 1.720 ( 0.000 5.808 -0.717) 5.852 1.720 ( 0.000 5.808 0.717) 5.852 1.826 ( 0.000 7.036 -4.628) 8.422 1.826 ( 0.000 7.036 4.628) 8.422 1.845 ( 0.000 7.196 -0.664) 7.226 1.845 ( 0.000 7.196 0.664) 7.226 1.951 ( 0.000 3.655 -0.705) 3.722 1.951 ( 0.000 3.655 0.705) 3.722 2.088 ( 0.000 4.566 -2.146) 5.045 2.088 ( 0.000 4.566 2.146) 5.045 2.258 ( 0.000 4.552 -2.429) 5.159 2.258 ( 0.000 4.552 2.429) 5.159 2.471 ( 0.000 -7.045 -4.870) 8.564 2.471 ( 0.000 -7.045 4.870) 8.564 2.850 ( 0.000 -7.158 -2.668) 7.639 2.850 ( 0.000 -7.158 2.668) 7.639 2.998 ( 0.000 -6.318 -3.712) 7.328 2.998 ( 0.000 -6.318 3.712) 7.328 3.133 ( 0.000 5.433 -2.483) 5.973 3.133 ( 0.000 5.433 2.483) 5.973 3.362 ( 0.000 8.474 -0.752) 8.507 3.362 ( 0.000 8.474 0.752) 8.507 3.491 ( 0.000 -5.903 -7.342) 9.421 3.491 ( 0.000 -5.903 7.342) 9.421 3.574 ( 0.000 10.684 -4.021) 11.415 3.574 ( 0.000 10.684 4.021) 11.415 3.810 ( 0.000 3.750 -1.618) 4.085 3.810 ( 0.000 3.750 1.618) 4.085 3.871 ( 0.000 16.556 -1.589) 16.632 3.871 ( 0.000 16.556 1.589) 16.632 4.176 ( 0.000 11.285 -2.338) 11.524 4.176 ( 0.000 11.285 2.338) 11.524 4.821 ( 0.000 -0.456 -5.890) 5.907 4.821 ( 0.000 -0.456 5.890) 5.907 5.053 ( 0.000 -3.968 -8.573) 9.447 5.053 ( 0.000 -3.968 8.573) 9.447 5.583 ( 0.000 1.426 -3.653) 3.922 5.583 ( 0.000 1.426 3.653) 3.922 5.666 ( 0.000 3.540 -3.415) 4.919 5.666 ( 0.000 3.540 3.415) 4.919 5.836 ( 0.000 -0.417 -3.292) 3.318 5.836 ( 0.000 -0.417 3.292) 3.318 6.008 ( 0.000 -0.966 -1.539) 1.817 6.008 ( 0.000 -0.966 1.539) 1.817 6.276 ( 0.000 0.392 -4.826) 4.842 6.276 ( 0.000 0.392 4.826) 4.842 6.467 ( 0.000 1.195 -4.444) 4.601 6.467 ( 0.000 1.195 4.444) 4.601 6.549 ( 0.000 -1.277 -3.689) 3.903 6.549 ( 0.000 -1.277 3.689) 3.903 6.720 ( 0.000 -0.891 -6.549) 6.609 6.720 ( 0.000 -0.891 6.549) 6.609 7.052 ( 0.000 9.264 -7.123) 11.685 7.052 ( 0.000 9.264 7.123) 11.685 7.407 ( 0.000 -0.503 -2.699) 2.746 7.407 ( 0.000 -0.503 2.699) 2.746 7.601 ( 0.000 8.253 -11.086) 13.821 7.601 ( 0.000 8.253 11.086) 13.821 7.768 ( 0.000 5.191 -6.023) 7.951 7.768 ( 0.000 5.191 6.023) 7.951 7.849 ( 0.000 11.214 -3.806) 11.843 7.849 ( 0.000 11.214 3.806) 11.843 8.123 ( 0.000 0.811 -0.738) 1.096 8.123 ( 0.000 0.811 0.738) 1.096 8.250 ( 0.000 0.715 -1.857) 1.990 8.250 ( 0.000 0.715 1.857) 1.990 8.554 ( 0.000 1.777 -0.725) 1.919 8.554 ( 0.000 1.777 0.725) 1.919 8.716 ( 0.000 -3.066 -0.633) 3.131 8.716 ( 0.000 -3.066 0.633) 3.131 8.825 ( 0.000 2.417 -0.494) 2.467 8.825 ( 0.000 2.417 0.494) 2.467 9.109 ( 0.000 -3.318 -1.084) 3.491 9.109 ( 0.000 -3.318 1.084) 3.491 9.330 ( 0.000 -6.898 -0.078) 6.898 9.330 ( 0.000 -6.898 0.078) 6.898 ======================= Grid point 172 (56/63) ======================= q-point: ( 0.25 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( 14.351 -0.228 -3.315) 14.731 0.745 ( 14.351 -0.228 3.315) 14.731 1.268 ( -5.353 0.490 -3.386) 6.353 1.268 ( -5.353 0.490 3.386) 6.353 1.357 ( 2.284 4.786 -0.473) 5.324 1.357 ( 2.284 4.786 0.473) 5.324 1.495 ( -1.573 2.706 -0.638) 3.195 1.495 ( -1.573 2.706 0.638) 3.195 1.680 ( -2.108 6.169 -1.221) 6.633 1.680 ( -2.108 6.169 1.221) 6.633 1.836 ( 1.469 5.501 -0.423) 5.709 1.836 ( 1.469 5.501 0.423) 5.709 1.898 ( 2.416 4.399 -1.546) 5.252 1.898 ( 2.416 4.399 1.546) 5.252 1.992 ( 3.702 6.039 -0.555) 7.105 1.992 ( 3.702 6.039 0.555) 7.105 2.091 ( 0.056 4.209 -2.728) 5.016 2.091 ( 0.056 4.209 2.728) 5.016 2.202 ( -3.982 5.646 -0.692) 6.943 2.202 ( -3.982 5.646 0.692) 6.943 2.536 ( 5.180 -6.158 -3.673) 8.846 2.536 ( 5.180 -6.158 3.673) 8.846 2.812 ( -2.961 -5.735 -2.748) 7.015 2.812 ( -2.961 -5.735 2.748) 7.015 3.008 ( 0.771 -5.061 -3.555) 6.233 3.008 ( 0.771 -5.061 3.555) 6.233 3.216 ( 3.836 4.744 -2.144) 6.467 3.216 ( 3.836 4.744 2.144) 6.467 3.322 ( -0.621 -0.650 -2.402) 2.565 3.322 ( -0.621 -0.650 2.402) 2.565 3.532 ( 0.635 3.554 -1.769) 4.020 3.532 ( 0.635 3.554 1.769) 4.020 3.568 ( 1.365 8.261 -4.514) 9.513 3.568 ( 1.365 8.261 4.514) 9.513 3.751 ( -4.124 4.850 -3.010) 7.042 3.751 ( -4.124 4.850 3.010) 7.042 3.889 ( 1.021 16.316 -1.388) 16.407 3.889 ( 1.021 16.316 1.388) 16.407 4.166 ( -0.884 11.156 -1.661) 11.313 4.166 ( -0.884 11.156 1.661) 11.313 4.855 ( 2.781 -1.544 -5.818) 6.631 4.855 ( 2.781 -1.544 5.818) 6.631 5.048 ( -0.674 -2.617 -8.417) 8.840 5.048 ( -0.674 -2.617 8.417) 8.840 5.582 ( 0.818 1.518 -2.995) 3.456 5.582 ( 0.818 1.518 2.995) 3.456 5.689 ( 0.826 -0.374 -1.296) 1.582 5.689 ( 0.826 -0.374 1.296) 1.582 5.821 ( -0.753 0.113 -2.377) 2.496 5.821 ( -0.753 0.113 2.377) 2.496 5.980 ( -2.661 -0.433 -4.157) 4.955 5.980 ( -2.661 -0.433 4.157) 4.955 6.205 ( -4.134 0.454 -1.254) 4.344 6.205 ( -4.134 0.454 1.254) 4.344 6.322 ( -8.850 2.857 -4.849) 10.488 6.322 ( -8.850 2.857 4.849) 10.488 6.619 ( 4.918 0.678 -5.761) 7.605 6.619 ( 4.918 0.678 5.761) 7.605 6.778 ( 2.032 -1.422 -7.261) 7.672 6.778 ( 2.032 -1.422 7.261) 7.672 7.136 ( 6.388 8.348 -5.582) 11.902 7.136 ( 6.388 8.348 5.582) 11.902 7.411 ( 0.303 3.920 -3.327) 5.150 7.411 ( 0.303 3.920 3.327) 5.150 7.520 ( -5.135 2.980 -4.037) 7.179 7.520 ( -5.135 2.980 4.037) 7.179 7.752 ( -1.254 7.109 -4.756) 8.645 7.752 ( -1.254 7.109 4.756) 8.645 7.940 ( 5.554 8.142 -1.147) 9.922 7.940 ( 5.554 8.142 1.147) 9.922 8.090 ( -2.301 0.965 -1.032) 2.700 8.090 ( -2.301 0.965 1.032) 2.700 8.240 ( -0.740 1.164 -2.475) 2.833 8.240 ( -0.740 1.164 2.475) 2.833 8.547 ( -0.704 2.245 -0.696) 2.454 8.547 ( -0.704 2.245 0.696) 2.454 8.728 ( 0.910 -2.267 -1.284) 2.760 8.728 ( 0.910 -2.267 1.284) 2.760 8.798 ( -1.869 2.363 -1.135) 3.219 8.798 ( -1.869 2.363 1.135) 3.219 9.133 ( 1.522 -3.377 -0.818) 3.793 9.133 ( 1.522 -3.377 0.818) 3.793 9.329 ( -0.027 -6.890 -0.221) 6.894 9.329 ( -0.027 -6.890 0.221) 6.894 ======================= Grid point 174 (57/63) ======================= q-point: (-0.50 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 59 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( 0.000 -2.224 -0.000) 2.224 0.998 ( 0.000 -2.224 0.000) 2.224 1.124 ( -0.000 2.157 -0.000) 2.157 1.124 ( -0.000 2.157 0.000) 2.157 1.426 ( -0.000 1.747 0.000) 1.747 1.426 ( 0.000 1.747 0.000) 1.747 1.436 ( -0.000 5.392 -0.000) 5.392 1.436 ( 0.000 5.392 -0.000) 5.392 1.657 ( 0.000 5.861 0.000) 5.861 1.657 ( 0.000 5.861 0.000) 5.861 1.855 ( 0.000 5.457 0.000) 5.457 1.855 ( 0.000 5.457 0.000) 5.457 1.936 ( 0.000 2.152 0.000) 2.152 1.936 ( 0.000 2.152 0.000) 2.152 2.041 ( 0.000 0.090 -0.000) 0.090 2.041 ( 0.000 0.090 0.000) 0.090 2.118 ( 0.000 7.292 -0.000) 7.292 2.118 ( 0.000 7.292 0.000) 7.292 2.120 ( -0.000 10.527 -0.000) 10.527 2.120 ( -0.000 10.527 0.000) 10.527 2.631 ( 0.000 -6.682 0.000) 6.682 2.631 ( 0.000 -6.682 0.000) 6.682 2.749 ( 0.000 -4.858 0.000) 4.858 2.749 ( -0.000 -4.858 0.000) 4.858 3.028 ( 0.000 -3.204 0.000) 3.204 3.028 ( 0.000 -3.204 0.000) 3.204 3.199 ( 0.000 1.090 0.000) 1.090 3.199 ( 0.000 1.090 0.000) 1.090 3.425 ( -0.000 -0.724 0.000) 0.724 3.425 ( 0.000 -0.724 0.000) 0.724 3.446 ( -0.000 5.002 -0.000) 5.002 3.446 ( 0.000 5.002 -0.000) 5.002 3.648 ( 0.000 3.825 -0.000) 3.825 3.648 ( 0.000 3.825 0.000) 3.825 3.676 ( -0.000 10.368 0.000) 10.368 3.676 ( -0.000 10.368 0.000) 10.368 3.902 ( 0.000 16.221 0.000) 16.221 3.902 ( 0.000 16.221 0.000) 16.221 4.151 ( 0.000 11.088 0.000) 11.088 4.151 ( 0.000 11.088 0.000) 11.088 4.900 ( 0.000 -3.634 0.000) 3.634 4.900 ( 0.000 -3.634 0.000) 3.634 5.032 ( 0.000 0.249 -0.000) 0.249 5.032 ( 0.000 0.249 0.000) 0.249 5.617 ( -0.000 0.713 -0.000) 0.713 5.617 ( 0.000 0.713 0.000) 0.713 5.672 ( 0.000 -3.945 0.000) 3.945 5.672 ( 0.000 -3.945 0.000) 3.945 5.827 ( 0.000 -0.869 -0.000) 0.869 5.827 ( 0.000 -0.869 0.000) 0.869 5.927 ( 0.000 0.239 0.000) 0.239 5.927 ( 0.000 0.239 0.000) 0.239 6.166 ( 0.000 2.375 -0.000) 2.375 6.166 ( 0.000 2.375 0.000) 2.375 6.204 ( -0.000 4.614 0.000) 4.614 6.204 ( 0.000 4.614 0.000) 4.614 6.699 ( 0.000 -0.070 -0.000) 0.070 6.699 ( 0.000 -0.070 0.000) 0.070 6.776 ( 0.000 1.180 0.000) 1.180 6.776 ( 0.000 1.180 0.000) 1.180 7.294 ( -0.000 7.302 0.000) 7.302 7.294 ( 0.000 7.302 0.000) 7.302 7.309 ( -0.000 4.626 -0.000) 4.626 7.309 ( 0.000 4.626 0.000) 4.626 7.501 ( 0.000 2.767 -0.000) 2.767 7.501 ( 0.000 2.767 0.000) 2.767 7.730 ( 0.000 5.187 0.000) 5.187 7.730 ( 0.000 5.187 0.000) 5.187 7.992 ( 0.000 2.587 0.000) 2.587 7.992 ( 0.000 2.587 0.000) 2.587 8.081 ( 0.000 5.952 0.000) 5.952 8.081 ( 0.000 5.952 0.000) 5.952 8.224 ( 0.000 1.077 0.000) 1.077 8.224 ( 0.000 1.077 0.000) 1.077 8.535 ( 0.000 2.705 0.000) 2.705 8.535 ( 0.000 2.705 0.000) 2.705 8.743 ( 0.000 -1.573 0.000) 1.573 8.743 ( 0.000 -1.573 0.000) 1.573 8.771 ( 0.000 2.311 0.000) 2.311 8.771 ( 0.000 2.311 0.000) 2.311 9.152 ( 0.000 -3.412 0.000) 3.412 9.152 ( 0.000 -3.412 0.000) 3.412 9.329 ( 0.000 -6.893 0.000) 6.893 9.329 ( 0.000 -6.893 0.000) 6.893 ======================= Grid point 180 (58/63) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( 0.000 1.392 -2.383) 2.759 0.571 ( 0.000 1.392 2.383) 2.759 1.302 ( 0.000 -0.784 -2.332) 2.460 1.302 ( 0.000 -0.784 2.332) 2.460 1.429 ( 0.000 2.277 -1.109) 2.533 1.429 ( 0.000 2.277 1.109) 2.533 1.541 ( 0.000 1.154 -0.187) 1.169 1.541 ( 0.000 1.154 0.187) 1.169 1.802 ( 0.000 2.536 -1.390) 2.892 1.802 ( 0.000 2.536 1.390) 2.892 1.902 ( 0.000 2.040 -2.734) 3.411 1.902 ( 0.000 2.040 2.734) 3.411 1.986 ( 0.000 5.347 -1.257) 5.493 1.986 ( 0.000 5.347 1.257) 5.493 2.068 ( 0.000 6.817 -2.714) 7.338 2.068 ( 0.000 6.817 2.714) 7.338 2.139 ( 0.000 1.958 -5.175) 5.533 2.139 ( 0.000 1.958 5.175) 5.533 2.343 ( 0.000 -4.407 -1.906) 4.801 2.343 ( 0.000 -4.407 1.906) 4.801 2.387 ( 0.000 6.558 -0.259) 6.563 2.387 ( 0.000 6.558 0.259) 6.563 2.677 ( 0.000 -8.730 -2.780) 9.163 2.677 ( 0.000 -8.730 2.780) 9.163 2.827 ( 0.000 -8.244 -5.408) 9.860 2.827 ( 0.000 -8.244 5.408) 9.860 3.199 ( 0.000 0.006 -3.154) 3.154 3.199 ( 0.000 0.006 3.154) 3.154 3.396 ( 0.000 0.265 -5.468) 5.474 3.396 ( 0.000 0.265 5.468) 5.474 3.566 ( 0.000 6.896 -6.920) 9.770 3.566 ( 0.000 6.896 6.920) 9.770 3.712 ( 0.000 3.031 -0.578) 3.086 3.712 ( 0.000 3.031 0.578) 3.086 3.932 ( 0.000 8.011 -0.703) 8.041 3.932 ( 0.000 8.011 0.703) 8.041 4.175 ( 0.000 12.823 -1.645) 12.928 4.175 ( 0.000 12.823 1.645) 12.928 4.382 ( 0.000 8.060 -3.296) 8.708 4.382 ( 0.000 8.060 3.296) 8.708 4.789 ( 0.000 -2.666 -2.325) 3.538 4.789 ( 0.000 -2.666 2.325) 3.538 4.965 ( 0.000 -4.193 -8.370) 9.362 4.965 ( 0.000 -4.193 8.370) 9.362 5.608 ( 0.000 1.119 -1.692) 2.029 5.608 ( 0.000 1.119 1.692) 2.029 5.681 ( 0.000 -0.338 -4.006) 4.021 5.681 ( 0.000 -0.338 4.006) 4.021 5.863 ( 0.000 2.405 -2.072) 3.174 5.863 ( 0.000 2.405 2.072) 3.174 6.009 ( 0.000 0.134 -6.072) 6.074 6.009 ( 0.000 0.134 6.072) 6.074 6.280 ( 0.000 0.019 -4.279) 4.279 6.280 ( 0.000 0.019 4.279) 4.279 6.434 ( 0.000 -2.807 -7.713) 8.208 6.434 ( 0.000 -2.807 7.713) 8.208 6.544 ( 0.000 0.011 -0.316) 0.316 6.544 ( 0.000 0.011 0.316) 0.316 6.720 ( 0.000 0.711 -5.132) 5.181 6.720 ( 0.000 0.711 5.132) 5.181 7.203 ( 0.000 5.574 -7.222) 9.123 7.203 ( 0.000 5.574 7.222) 9.123 7.362 ( 0.000 -3.045 -0.313) 3.061 7.362 ( 0.000 -3.045 0.313) 3.061 7.762 ( 0.000 7.440 -11.346) 13.568 7.762 ( 0.000 7.440 11.346) 13.568 7.871 ( 0.000 5.429 -2.955) 6.181 7.871 ( 0.000 5.429 2.955) 6.181 8.030 ( 0.000 6.162 -0.550) 6.186 8.030 ( 0.000 6.162 0.550) 6.186 8.108 ( 0.000 -1.582 -0.420) 1.637 8.108 ( 0.000 -1.582 0.420) 1.637 8.290 ( 0.000 2.683 -0.229) 2.693 8.290 ( 0.000 2.683 0.229) 2.693 8.537 ( 0.000 -3.373 -1.667) 3.762 8.537 ( 0.000 -3.373 1.667) 3.762 8.705 ( 0.000 1.888 -0.501) 1.953 8.705 ( 0.000 1.888 0.501) 1.953 8.874 ( 0.000 2.516 -1.276) 2.821 8.874 ( 0.000 2.516 1.276) 2.821 9.047 ( 0.000 -3.055 -0.643) 3.122 9.047 ( 0.000 -3.055 0.643) 3.122 9.186 ( 0.000 -7.151 -0.753) 7.190 9.186 ( 0.000 -7.151 0.753) 7.190 ======================= Grid point 182 (59/63) ======================= q-point: ( 0.25 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( 13.381 0.778 -3.223) 13.786 0.753 ( 13.381 0.778 3.223) 13.786 1.261 ( -4.735 -0.886 -2.862) 5.603 1.261 ( -4.735 -0.886 2.862) 5.603 1.424 ( 0.489 1.783 -0.930) 2.070 1.424 ( 0.489 1.783 0.930) 2.070 1.528 ( -1.413 0.640 -0.708) 1.705 1.528 ( -1.413 0.640 0.708) 1.705 1.799 ( 0.056 5.464 -1.196) 5.594 1.799 ( 0.056 5.464 1.196) 5.594 1.927 ( 1.553 3.317 -0.902) 3.772 1.927 ( 1.553 3.317 0.902) 3.772 1.983 ( 0.181 4.338 -1.210) 4.507 1.983 ( 0.181 4.338 1.210) 4.507 2.070 ( -0.729 1.913 -1.272) 2.411 2.070 ( -0.729 1.913 1.272) 2.411 2.190 ( 4.470 5.777 -3.680) 8.179 2.190 ( 4.470 5.777 3.680) 8.179 2.330 ( -0.556 3.252 -1.610) 3.671 2.330 ( -0.556 3.252 1.610) 3.671 2.432 ( 3.249 -0.896 -1.559) 3.714 2.432 ( 3.249 -0.896 1.559) 3.714 2.650 ( -2.627 -8.587 -2.036) 9.207 2.650 ( -2.627 -8.587 2.036) 9.207 2.869 ( 3.903 -7.195 -4.592) 9.386 2.869 ( 3.903 -7.195 4.592) 9.386 3.199 ( -2.569 -4.145 -0.774) 4.938 3.199 ( -2.569 -4.145 0.774) 4.938 3.365 ( 1.280 4.118 -2.477) 4.973 3.365 ( 1.280 4.118 2.477) 4.973 3.598 ( -1.422 1.617 -3.919) 4.471 3.598 ( -1.422 1.617 3.919) 4.471 3.724 ( 3.153 6.930 -1.064) 7.688 3.724 ( 3.153 6.930 1.064) 7.688 3.907 ( -1.856 8.560 -2.042) 8.994 3.907 ( -1.856 8.560 2.042) 8.994 4.187 ( 0.806 12.626 -1.536) 12.745 4.187 ( 0.806 12.626 1.536) 12.745 4.368 ( -1.130 7.901 -2.181) 8.274 4.368 ( -1.130 7.901 2.181) 8.274 4.807 ( 1.543 -2.754 -2.395) 3.962 4.807 ( 1.543 -2.754 2.395) 3.962 4.983 ( 1.545 -3.694 -6.594) 7.715 4.983 ( 1.545 -3.694 6.594) 7.715 5.594 ( -1.287 -0.771 -1.595) 2.190 5.594 ( -1.287 -0.771 1.595) 2.190 5.656 ( -2.065 -0.644 -4.565) 5.051 5.656 ( -2.065 -0.644 4.565) 5.051 5.840 ( -1.876 1.059 -2.653) 3.418 5.840 ( -1.876 1.059 2.653) 3.418 5.970 ( -3.197 -0.766 -2.760) 4.293 5.970 ( -3.197 -0.766 2.760) 4.293 6.236 ( -1.486 1.898 -2.588) 3.537 6.236 ( -1.486 1.898 2.588) 3.537 6.344 ( -5.639 -0.109 -5.438) 7.835 6.344 ( -5.639 -0.109 5.438) 7.835 6.640 ( 5.962 1.358 -2.620) 6.652 6.640 ( 5.962 1.358 2.620) 6.652 6.757 ( 2.073 -0.324 -4.949) 5.375 6.757 ( 2.073 -0.324 4.949) 5.375 7.278 ( 5.026 5.194 -6.419) 9.667 7.278 ( 5.026 5.194 6.419) 9.667 7.406 ( 5.045 -2.225 -0.970) 5.598 7.406 ( 5.045 -2.225 0.970) 5.598 7.617 ( -9.026 5.762 -4.450) 11.596 7.617 ( -9.026 5.762 4.450) 11.596 7.862 ( -5.614 2.368 -2.840) 6.722 7.862 ( -5.614 2.368 2.840) 6.722 8.043 ( 1.973 3.611 -3.573) 5.450 8.043 ( 1.973 3.611 3.573) 5.450 8.126 ( 2.497 2.855 -2.275) 4.422 8.126 ( 2.497 2.855 2.275) 4.422 8.288 ( -0.454 3.013 -1.352) 3.333 8.288 ( -0.454 3.013 1.352) 3.333 8.541 ( 0.090 -2.919 -0.838) 3.038 8.541 ( 0.090 -2.919 0.838) 3.038 8.729 ( 1.903 2.406 -1.441) 3.389 8.729 ( 1.903 2.406 1.441) 3.389 8.848 ( -1.933 2.707 -1.661) 3.718 8.848 ( -1.933 2.707 1.661) 3.718 9.067 ( 1.333 -3.296 -0.565) 3.600 9.067 ( 1.333 -3.296 0.565) 3.600 9.186 ( -0.033 -7.175 -0.691) 7.209 9.186 ( -0.033 -7.175 0.691) 7.209 ======================= Grid point 184 (60/63) ======================= q-point: (-0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 59 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 0.000 0.855 -0.000) 0.855 0.985 ( 0.000 0.855 0.000) 0.855 1.133 ( -0.000 -1.163 0.000) 1.163 1.133 ( -0.000 -1.163 0.000) 1.163 1.448 ( -0.000 0.655 0.000) 0.655 1.448 ( 0.000 0.655 0.000) 0.655 1.496 ( -0.000 0.737 0.000) 0.737 1.496 ( 0.000 0.737 0.000) 0.737 1.801 ( 0.000 8.145 0.000) 8.145 1.801 ( 0.000 8.145 0.000) 8.145 1.949 ( 0.000 3.943 -0.000) 3.943 1.949 ( 0.000 3.943 0.000) 3.943 1.989 ( 0.000 2.943 0.000) 2.943 1.989 ( 0.000 2.943 0.000) 2.943 2.053 ( 0.000 0.987 -0.000) 0.987 2.053 ( 0.000 0.987 0.000) 0.987 2.260 ( 0.000 5.693 0.000) 5.693 2.260 ( 0.000 5.693 0.000) 5.693 2.319 ( -0.000 8.079 -0.000) 8.079 2.319 ( 0.000 8.079 0.000) 8.079 2.495 ( 0.000 -4.987 0.000) 4.987 2.495 ( 0.000 -4.987 0.000) 4.987 2.591 ( -0.000 -8.533 -0.000) 8.533 2.591 ( 0.000 -8.533 0.000) 8.533 2.951 ( 0.000 -3.837 0.000) 3.837 2.951 ( 0.000 -3.837 0.000) 3.837 3.114 ( -0.000 -7.082 0.000) 7.082 3.114 ( 0.000 -7.082 0.000) 7.082 3.463 ( -0.000 3.170 0.000) 3.170 3.463 ( 0.000 3.170 0.000) 3.170 3.503 ( -0.000 1.739 -0.000) 1.739 3.503 ( 0.000 1.739 0.000) 1.739 3.797 ( 0.000 8.242 0.000) 8.242 3.797 ( 0.000 8.242 0.000) 8.242 3.872 ( 0.000 7.779 0.000) 7.779 3.872 ( 0.000 7.779 0.000) 7.779 4.198 ( 0.000 12.569 0.000) 12.569 4.198 ( 0.000 12.569 0.000) 12.569 4.350 ( 0.000 7.811 0.000) 7.811 4.350 ( 0.000 7.811 0.000) 7.811 4.832 ( 0.000 -2.461 0.000) 2.461 4.832 ( 0.000 -2.461 0.000) 2.461 5.008 ( -0.000 -3.197 0.000) 3.197 5.008 ( 0.000 -3.197 0.000) 3.197 5.571 ( 0.000 -4.337 0.000) 4.337 5.571 ( 0.000 -4.337 0.000) 4.337 5.623 ( 0.000 -0.509 -0.000) 0.509 5.623 ( 0.000 -0.509 0.000) 0.509 5.809 ( 0.000 0.093 0.000) 0.093 5.809 ( 0.000 0.093 0.000) 0.093 5.929 ( 0.000 -0.523 0.000) 0.523 5.929 ( 0.000 -0.523 0.000) 0.523 6.237 ( 0.000 3.449 -0.000) 3.449 6.237 ( -0.000 3.449 0.000) 3.449 6.266 ( -0.000 1.875 0.000) 1.875 6.266 ( 0.000 1.875 0.000) 1.875 6.717 ( 0.000 1.854 -0.000) 1.854 6.717 ( 0.000 1.854 0.000) 1.854 6.780 ( 0.000 -0.232 0.000) 0.232 6.780 ( 0.000 -0.232 0.000) 0.232 7.399 ( -0.000 4.394 -0.000) 4.394 7.399 ( -0.000 4.394 0.000) 4.394 7.418 ( 0.000 5.140 -0.000) 5.140 7.418 ( 0.000 5.140 0.000) 5.140 7.541 ( 0.000 1.161 -0.000) 1.161 7.541 ( 0.000 1.161 0.000) 1.161 7.736 ( -0.000 -4.112 0.000) 4.112 7.736 ( 0.000 -4.112 0.000) 4.112 8.074 ( 0.000 5.973 0.000) 5.973 8.074 ( 0.000 5.973 0.000) 5.973 8.168 ( 0.000 2.848 -0.000) 2.848 8.168 ( 0.000 2.848 0.000) 2.848 8.277 ( 0.000 3.336 0.000) 3.336 8.277 ( 0.000 3.336 0.000) 3.336 8.540 ( 0.000 -2.451 0.000) 2.451 8.540 ( 0.000 -2.451 0.000) 2.451 8.761 ( 0.000 3.324 0.000) 3.324 8.761 ( 0.000 3.324 0.000) 3.324 8.817 ( 0.000 2.319 0.000) 2.319 8.817 ( 0.000 2.319 0.000) 2.319 9.084 ( 0.000 -3.399 0.000) 3.399 9.084 ( 0.000 -3.399 0.000) 3.399 9.185 ( 0.000 -7.253 0.000) 7.253 9.185 ( 0.000 -7.253 0.000) 7.253 ======================= Grid point 190 (61/63) ======================= q-point: ( 0.00 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( 0.000 0.643 -0.896) 1.103 0.593 ( 0.000 0.643 0.896) 1.103 1.287 ( 0.000 -0.538 -0.698) 0.881 1.287 ( 0.000 -0.538 0.698) 0.881 1.448 ( 0.000 0.095 -0.585) 0.593 1.448 ( 0.000 0.095 0.585) 0.593 1.553 ( 0.000 0.176 -0.115) 0.210 1.553 ( 0.000 0.176 0.115) 0.210 1.832 ( 0.000 0.663 -0.849) 1.077 1.832 ( 0.000 0.663 0.849) 1.077 1.918 ( 0.000 0.091 -0.958) 0.962 1.918 ( 0.000 0.091 0.958) 0.962 2.074 ( 0.000 3.396 -2.500) 4.217 2.074 ( 0.000 3.396 2.500) 4.217 2.117 ( 0.000 -0.713 -0.772) 1.051 2.117 ( 0.000 -0.713 0.772) 1.051 2.239 ( 0.000 5.675 -4.136) 7.023 2.239 ( 0.000 5.675 4.136) 7.023 2.307 ( 0.000 -0.080 -0.743) 0.747 2.307 ( 0.000 -0.080 0.743) 0.747 2.454 ( 0.000 0.240 -1.673) 1.690 2.454 ( 0.000 0.240 1.673) 1.690 2.527 ( 0.000 -5.777 -4.634) 7.406 2.527 ( 0.000 -5.777 4.634) 7.406 2.731 ( 0.000 -1.109 -3.217) 3.402 2.731 ( 0.000 -1.109 3.217) 3.402 3.171 ( 0.000 -1.183 -0.958) 1.523 3.171 ( 0.000 -1.183 0.958) 1.523 3.439 ( 0.000 2.034 -1.642) 2.614 3.439 ( 0.000 2.034 1.642) 2.614 3.612 ( 0.000 -0.773 -3.737) 3.816 3.612 ( 0.000 -0.773 3.737) 3.816 3.774 ( 0.000 2.617 -0.719) 2.714 3.774 ( 0.000 2.617 0.719) 2.714 4.057 ( 0.000 3.509 -0.276) 3.520 4.057 ( 0.000 3.509 0.276) 3.520 4.364 ( 0.000 5.476 -1.113) 5.588 4.364 ( 0.000 5.476 1.113) 5.588 4.480 ( 0.000 1.974 -2.536) 3.214 4.480 ( 0.000 1.974 2.536) 3.214 4.731 ( 0.000 -2.389 -0.392) 2.421 4.731 ( 0.000 -2.389 0.392) 2.421 4.910 ( 0.000 -1.136 -3.837) 4.002 4.910 ( 0.000 -1.136 3.837) 4.002 5.622 ( 0.000 0.269 -2.060) 2.078 5.622 ( 0.000 0.269 2.060) 2.078 5.684 ( 0.000 0.401 -4.189) 4.208 5.684 ( 0.000 0.401 4.189) 4.208 5.915 ( 0.000 2.224 -0.931) 2.411 5.915 ( 0.000 2.224 0.931) 2.411 5.995 ( 0.000 -1.283 -5.558) 5.704 5.995 ( 0.000 -1.283 5.558) 5.704 6.273 ( 0.000 -0.498 -1.622) 1.696 6.273 ( 0.000 -0.498 1.622) 1.696 6.392 ( 0.000 -1.167 -3.239) 3.443 6.392 ( 0.000 -1.167 3.239) 3.443 6.543 ( 0.000 -0.010 -0.235) 0.236 6.543 ( 0.000 -0.010 0.235) 0.236 6.738 ( 0.000 0.695 -1.642) 1.783 6.738 ( 0.000 0.695 1.642) 1.783 7.268 ( 0.000 0.951 -5.177) 5.263 7.268 ( 0.000 0.951 5.177) 5.263 7.316 ( 0.000 -0.971 -3.286) 3.427 7.316 ( 0.000 -0.971 3.286) 3.427 7.885 ( 0.000 3.897 -5.338) 6.610 7.885 ( 0.000 3.897 5.338) 6.610 7.969 ( 0.000 4.123 -0.661) 4.175 7.969 ( 0.000 4.123 0.661) 4.175 8.065 ( 0.000 -2.711 -1.623) 3.160 8.065 ( 0.000 -2.711 1.623) 3.160 8.103 ( 0.000 1.524 -0.180) 1.534 8.103 ( 0.000 1.524 0.180) 1.534 8.348 ( 0.000 2.840 -0.730) 2.933 8.348 ( 0.000 2.840 0.730) 2.933 8.457 ( 0.000 -3.704 -1.199) 3.893 8.457 ( 0.000 -3.704 1.199) 3.893 8.753 ( 0.000 2.017 -0.344) 2.046 8.753 ( 0.000 2.017 0.344) 2.046 8.925 ( 0.000 2.170 -1.559) 2.672 8.925 ( 0.000 2.170 1.559) 2.672 8.989 ( 0.000 -2.181 -0.224) 2.193 8.989 ( 0.000 -2.181 0.224) 2.193 9.064 ( 0.000 -4.198 -1.468) 4.447 9.064 ( 0.000 -4.198 1.468) 4.447 ======================= Grid point 192 (62/63) ======================= q-point: ( 0.25 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( 13.129 0.505 -1.334) 13.207 0.768 ( 13.129 0.505 1.334) 13.207 1.243 ( -4.854 -0.600 -1.157) 5.026 1.243 ( -4.854 -0.600 1.157) 5.026 1.439 ( 0.111 0.109 -0.407) 0.435 1.439 ( 0.111 0.109 0.407) 0.435 1.530 ( -2.020 -0.152 -0.313) 2.050 1.530 ( -2.020 -0.152 0.313) 2.050 1.889 ( 4.267 3.201 -0.424) 5.351 1.889 ( 4.267 3.201 0.424) 5.351 1.955 ( 2.807 -0.253 -1.314) 3.110 1.955 ( 2.807 -0.253 1.314) 3.110 2.063 ( -0.820 3.160 -2.028) 3.843 2.063 ( -0.820 3.160 2.028) 3.843 2.099 ( -1.560 0.260 -1.693) 2.317 2.099 ( -1.560 0.260 1.693) 2.317 2.258 ( 1.573 1.938 -2.182) 3.315 2.258 ( 1.573 1.938 2.182) 3.315 2.337 ( 1.311 -1.138 -1.180) 2.099 2.337 ( 1.311 -1.138 1.180) 2.099 2.466 ( 1.234 1.516 -3.603) 4.099 2.466 ( 1.234 1.516 3.603) 4.099 2.540 ( 0.808 -2.388 -3.442) 4.266 2.540 ( 0.808 -2.388 3.442) 4.266 2.765 ( 4.087 -2.360 -3.326) 5.774 2.765 ( 4.087 -2.360 3.326) 5.774 3.128 ( -5.443 -2.183 -0.482) 5.884 3.128 ( -5.443 -2.183 0.482) 5.884 3.436 ( 1.827 2.267 -0.706) 2.996 3.436 ( 1.827 2.267 0.706) 2.996 3.594 ( -1.978 -0.946 -1.556) 2.689 3.594 ( -1.978 -0.946 1.556) 2.689 3.834 ( 4.721 3.212 -0.387) 5.723 3.834 ( 4.721 3.212 0.387) 5.723 4.032 ( -2.430 3.311 -0.918) 4.208 4.032 ( -2.430 3.311 0.918) 4.208 4.375 ( 0.787 5.614 -1.077) 5.770 4.375 ( 0.787 5.614 1.077) 5.770 4.461 ( -1.423 1.506 -1.500) 2.558 4.461 ( -1.423 1.506 1.500) 2.558 4.764 ( 3.019 -1.370 -0.727) 3.394 4.764 ( 3.019 -1.370 0.727) 3.394 4.917 ( 0.280 -2.094 -2.973) 3.648 4.917 ( 0.280 -2.094 2.973) 3.648 5.579 ( -3.104 -0.178 -2.338) 3.890 5.579 ( -3.104 -0.178 2.338) 3.890 5.661 ( -2.909 0.277 -3.839) 4.825 5.661 ( -2.909 0.277 3.839) 4.825 5.857 ( -3.186 0.524 -1.461) 3.544 5.857 ( -3.186 0.524 1.461) 3.544 5.952 ( -3.432 -0.749 -1.188) 3.708 5.952 ( -3.432 -0.749 1.188) 3.708 6.260 ( 0.192 0.445 -1.299) 1.386 6.260 ( 0.192 0.445 1.299) 1.386 6.338 ( -3.194 -0.283 -2.398) 4.004 6.338 ( -3.194 -0.283 2.398) 4.004 6.664 ( 7.460 0.746 -0.929) 7.555 6.664 ( 7.460 0.746 0.929) 7.555 6.763 ( 1.450 0.493 -1.794) 2.359 6.763 ( 1.450 0.493 1.794) 2.359 7.320 ( 4.867 -0.362 -3.373) 5.932 7.320 ( 4.867 -0.362 3.373) 5.932 7.386 ( 6.298 0.334 -1.126) 6.407 7.386 ( 6.298 0.334 1.126) 6.407 7.728 ( -9.735 4.610 -2.923) 11.161 7.728 ( -9.735 4.610 2.923) 11.161 7.849 ( -11.456 -2.343 -2.258) 11.909 7.849 ( -11.456 -2.343 2.258) 11.909 8.121 ( 3.684 3.276 -4.891) 6.945 8.121 ( 3.684 3.276 4.891) 6.945 8.158 ( 3.899 0.002 -3.359) 5.147 8.158 ( 3.899 0.002 3.359) 5.147 8.360 ( 0.119 4.198 -0.574) 4.239 8.360 ( 0.119 4.198 0.574) 4.239 8.458 ( 0.112 -4.680 -0.349) 4.694 8.458 ( 0.112 -4.680 0.349) 4.694 8.788 ( 2.681 2.420 -1.008) 3.750 8.788 ( 2.681 2.420 1.008) 3.750 8.903 ( -1.814 2.339 -1.640) 3.384 8.903 ( -1.814 2.339 1.640) 3.384 9.005 ( 1.185 -2.287 -0.671) 2.661 9.005 ( 1.185 -2.287 0.671) 2.661 9.062 ( -0.287 -4.411 -1.377) 4.630 9.062 ( -0.287 -4.411 1.377) 4.630 ======================= Grid point 194 (63/63) ======================= q-point: (-0.50 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 59 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( 0.000 2.851 0.000) 2.851 1.025 ( 0.000 2.851 0.000) 2.851 1.087 ( -0.000 -3.048 0.000) 3.048 1.087 ( -0.000 -3.048 0.000) 3.048 1.462 ( -0.000 0.951 0.000) 0.951 1.462 ( 0.000 0.951 0.000) 0.951 1.486 ( -0.000 -1.214 0.000) 1.214 1.486 ( 0.000 -1.214 0.000) 1.214 1.951 ( 0.000 5.770 0.000) 5.770 1.951 ( 0.000 5.770 0.000) 5.770 2.000 ( 0.000 0.606 -0.000) 0.606 2.000 ( -0.000 0.606 0.000) 0.606 2.047 ( 0.000 2.685 0.000) 2.685 2.047 ( 0.000 2.685 0.000) 2.685 2.072 ( 0.000 0.497 0.000) 0.497 2.072 ( 0.000 0.497 0.000) 0.497 2.290 ( -0.000 -0.937 0.000) 0.937 2.290 ( 0.000 -0.937 0.000) 0.937 2.334 ( 0.000 -5.135 0.000) 5.135 2.334 ( 0.000 -5.135 0.000) 5.135 2.501 ( -0.000 3.873 -0.000) 3.873 2.501 ( 0.000 3.873 0.000) 3.873 2.534 ( 0.000 1.361 0.000) 1.361 2.534 ( 0.000 1.361 0.000) 1.361 2.901 ( -0.000 -0.071 0.000) 0.071 2.901 ( 0.000 -0.071 0.000) 0.071 2.972 ( 0.000 -6.361 -0.000) 6.361 2.972 ( 0.000 -6.361 0.000) 6.361 3.514 ( 0.000 1.693 0.000) 1.693 3.514 ( 0.000 1.693 0.000) 1.693 3.527 ( -0.000 0.419 -0.000) 0.419 3.527 ( 0.000 0.419 0.000) 0.419 3.929 ( 0.000 4.603 0.000) 4.603 3.929 ( 0.000 4.603 0.000) 4.603 3.965 ( -0.000 1.356 0.000) 1.356 3.965 ( 0.000 1.356 0.000) 1.356 4.387 ( 0.000 6.116 0.000) 6.116 4.387 ( 0.000 6.116 0.000) 6.116 4.440 ( 0.000 0.902 0.000) 0.902 4.440 ( 0.000 0.902 0.000) 0.902 4.824 ( 0.000 1.994 0.000) 1.994 4.824 ( 0.000 1.994 0.000) 1.994 4.908 ( -0.000 -5.744 0.000) 5.744 4.908 ( -0.000 -5.744 0.000) 5.744 5.544 ( 0.000 1.392 -0.000) 1.392 5.544 ( 0.000 1.392 0.000) 1.392 5.591 ( -0.000 -2.488 -0.000) 2.488 5.591 ( 0.000 -2.488 0.000) 2.488 5.838 ( 0.000 2.534 0.000) 2.534 5.838 ( 0.000 2.534 0.000) 2.534 5.895 ( 0.000 -2.699 0.000) 2.699 5.895 ( 0.000 -2.699 0.000) 2.699 6.283 ( 0.000 1.124 -0.000) 1.124 6.283 ( -0.000 1.124 0.000) 1.124 6.288 ( -0.000 0.461 -0.000) 0.461 6.288 ( 0.000 0.461 0.000) 0.461 6.758 ( 0.000 1.761 -0.000) 1.761 6.758 ( 0.000 1.761 0.000) 1.761 6.777 ( 0.000 -0.243 -0.000) 0.243 6.777 ( -0.000 -0.243 0.000) 0.243 7.477 ( -0.000 3.123 -0.000) 3.123 7.477 ( -0.000 3.123 0.000) 3.123 7.500 ( 0.000 2.213 -0.000) 2.213 7.500 ( 0.000 2.213 0.000) 2.213 7.553 ( 0.000 1.165 0.000) 1.165 7.553 ( -0.000 1.165 0.000) 1.165 7.630 ( -0.000 -5.373 0.000) 5.373 7.630 ( -0.000 -5.373 0.000) 5.373 8.176 ( 0.000 3.225 -0.000) 3.225 8.176 ( 0.000 3.225 0.000) 3.225 8.200 ( 0.000 0.393 -0.000) 0.393 8.200 ( 0.000 0.393 0.000) 0.393 8.356 ( 0.000 4.815 0.000) 4.815 8.356 ( 0.000 4.815 0.000) 4.815 8.459 ( 0.000 -5.056 0.000) 5.056 8.459 ( 0.000 -5.056 0.000) 5.056 8.840 ( -0.000 3.583 0.000) 3.583 8.840 ( 0.000 3.583 -0.000) 3.583 8.862 ( -0.000 1.601 0.000) 1.601 8.862 ( 0.000 1.601 0.000) 1.601 9.024 ( 0.000 -1.919 0.000) 1.919 9.024 ( 0.000 -1.919 0.000) 1.919 9.055 ( -0.000 -5.018 0.000) 5.018 9.055 ( 0.000 -5.018 0.000) 5.018 =================== 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 3/17472 10.0 23.636 26.783 28.646 0.000 0.000 0.000 3/17472 20.0 7.615 11.849 6.068 0.000 0.000 0.000 3/17472 30.0 4.389 7.800 3.312 0.000 0.000 0.000 3/17472 40.0 3.070 5.866 2.304 0.000 0.000 -0.000 3/17472 50.0 2.356 4.677 1.765 0.000 0.000 -0.000 3/17472 60.0 1.911 3.868 1.428 0.000 0.000 -0.000 3/17472 70.0 1.609 3.287 1.197 0.000 0.000 -0.000 3/17472 80.0 1.391 2.854 1.030 0.000 0.000 -0.000 3/17472 90.0 1.226 2.521 0.905 0.000 0.000 -0.000 3/17472 100.0 1.098 2.258 0.807 0.000 0.000 -0.000 3/17472 110.0 0.995 2.046 0.728 0.000 0.000 -0.000 3/17472 120.0 0.910 1.870 0.664 0.000 0.000 -0.000 3/17472 130.0 0.839 1.723 0.611 0.000 0.000 -0.000 3/17472 140.0 0.778 1.598 0.565 0.000 0.000 -0.000 3/17472 150.0 0.726 1.489 0.526 0.000 0.000 -0.000 3/17472 160.0 0.680 1.395 0.493 0.000 0.000 -0.000 3/17472 170.0 0.640 1.312 0.463 0.000 0.000 -0.000 3/17472 180.0 0.605 1.239 0.437 0.000 0.000 -0.000 3/17472 190.0 0.573 1.173 0.413 0.000 0.000 -0.000 3/17472 200.0 0.544 1.115 0.392 0.000 0.000 -0.000 3/17472 210.0 0.519 1.061 0.373 0.000 0.000 -0.000 3/17472 220.0 0.495 1.013 0.356 0.000 0.000 -0.000 3/17472 230.0 0.474 0.969 0.341 0.000 0.000 -0.000 3/17472 240.0 0.454 0.929 0.326 0.000 0.000 -0.000 3/17472 250.0 0.436 0.891 0.313 0.000 0.000 -0.000 3/17472 260.0 0.419 0.857 0.301 0.000 0.000 -0.000 3/17472 270.0 0.404 0.825 0.290 0.000 0.000 -0.000 3/17472 280.0 0.389 0.796 0.279 0.000 0.000 -0.000 3/17472 290.0 0.376 0.769 0.270 0.000 0.000 -0.000 3/17472 300.0 0.364 0.743 0.261 0.000 0.000 -0.000 3/17472 310.0 0.352 0.719 0.252 0.000 0.000 -0.000 3/17472 320.0 0.341 0.697 0.244 0.000 0.000 -0.000 3/17472 330.0 0.331 0.675 0.237 0.000 0.000 -0.000 3/17472 340.0 0.321 0.656 0.230 0.000 0.000 -0.000 3/17472 350.0 0.312 0.637 0.223 0.000 0.000 -0.000 3/17472 360.0 0.303 0.619 0.217 0.000 0.000 -0.000 3/17472 370.0 0.295 0.603 0.211 0.000 0.000 -0.000 3/17472 380.0 0.287 0.587 0.206 0.000 0.000 -0.000 3/17472 390.0 0.280 0.572 0.200 0.000 0.000 -0.000 3/17472 400.0 0.273 0.557 0.195 0.000 0.000 -0.000 3/17472 410.0 0.266 0.544 0.191 0.000 0.000 -0.000 3/17472 420.0 0.260 0.531 0.186 0.000 0.000 -0.000 3/17472 430.0 0.254 0.519 0.182 0.000 0.000 -0.000 3/17472 440.0 0.248 0.507 0.178 0.000 0.000 -0.000 3/17472 450.0 0.243 0.496 0.174 0.000 0.000 -0.000 3/17472 460.0 0.237 0.485 0.170 0.000 0.000 -0.000 3/17472 470.0 0.232 0.475 0.166 0.000 0.000 -0.000 3/17472 480.0 0.228 0.465 0.163 0.000 0.000 -0.000 3/17472 490.0 0.223 0.455 0.159 0.000 0.000 -0.000 3/17472 500.0 0.219 0.446 0.156 0.000 0.000 -0.000 3/17472 510.0 0.214 0.437 0.153 0.000 0.000 -0.000 3/17472 520.0 0.210 0.429 0.150 0.000 0.000 -0.000 3/17472 530.0 0.206 0.421 0.147 0.000 0.000 -0.000 3/17472 540.0 0.202 0.413 0.145 0.000 0.000 -0.000 3/17472 550.0 0.199 0.406 0.142 0.000 0.000 -0.000 3/17472 560.0 0.195 0.398 0.139 0.000 0.000 -0.000 3/17472 570.0 0.192 0.391 0.137 0.000 0.000 -0.000 3/17472 580.0 0.188 0.385 0.135 0.000 0.000 -0.000 3/17472 590.0 0.185 0.378 0.132 0.000 0.000 -0.000 3/17472 600.0 0.182 0.372 0.130 0.000 0.000 -0.000 3/17472 610.0 0.179 0.366 0.128 0.000 0.000 -0.000 3/17472 620.0 0.176 0.360 0.126 0.000 0.000 -0.000 3/17472 630.0 0.174 0.354 0.124 0.000 0.000 -0.000 3/17472 640.0 0.171 0.349 0.122 0.000 0.000 -0.000 3/17472 650.0 0.168 0.343 0.120 0.000 0.000 -0.000 3/17472 660.0 0.166 0.338 0.118 0.000 0.000 -0.000 3/17472 670.0 0.163 0.333 0.117 0.000 0.000 -0.000 3/17472 680.0 0.161 0.328 0.115 0.000 0.000 -0.000 3/17472 690.0 0.158 0.323 0.113 0.000 0.000 -0.000 3/17472 700.0 0.156 0.319 0.112 0.000 0.000 -0.000 3/17472 710.0 0.154 0.314 0.110 0.000 0.000 -0.000 3/17472 720.0 0.152 0.310 0.108 0.000 0.000 -0.000 3/17472 730.0 0.150 0.306 0.107 0.000 0.000 -0.000 3/17472 740.0 0.148 0.302 0.106 0.000 0.000 -0.000 3/17472 750.0 0.146 0.298 0.104 0.000 0.000 -0.000 3/17472 760.0 0.144 0.294 0.103 0.000 0.000 -0.000 3/17472 770.0 0.142 0.290 0.101 0.000 0.000 -0.000 3/17472 780.0 0.140 0.286 0.100 0.000 0.000 -0.000 3/17472 790.0 0.138 0.283 0.099 0.000 0.000 -0.000 3/17472 800.0 0.137 0.279 0.098 0.000 0.000 -0.000 3/17472 810.0 0.135 0.276 0.096 0.000 0.000 -0.000 3/17472 820.0 0.133 0.272 0.095 0.000 0.000 -0.000 3/17472 830.0 0.132 0.269 0.094 0.000 0.000 -0.000 3/17472 840.0 0.130 0.266 0.093 0.000 0.000 -0.000 3/17472 850.0 0.129 0.263 0.092 0.000 0.000 -0.000 3/17472 860.0 0.127 0.260 0.091 0.000 0.000 -0.000 3/17472 870.0 0.126 0.257 0.090 0.000 0.000 -0.000 3/17472 880.0 0.124 0.254 0.089 0.000 0.000 -0.000 3/17472 890.0 0.123 0.251 0.088 0.000 0.000 -0.000 3/17472 900.0 0.122 0.248 0.087 0.000 0.000 -0.000 3/17472 910.0 0.120 0.245 0.086 0.000 0.000 -0.000 3/17472 920.0 0.119 0.243 0.085 0.000 0.000 -0.000 3/17472 930.0 0.118 0.240 0.084 0.000 0.000 -0.000 3/17472 940.0 0.116 0.237 0.083 0.000 0.000 -0.000 3/17472 950.0 0.115 0.235 0.082 0.000 0.000 -0.000 3/17472 960.0 0.114 0.233 0.081 0.000 0.000 -0.000 3/17472 970.0 0.113 0.230 0.081 0.000 0.000 -0.000 3/17472 980.0 0.112 0.228 0.080 0.000 0.000 -0.000 3/17472 990.0 0.110 0.226 0.079 0.000 0.000 -0.000 3/17472 1000.0 0.109 0.223 0.078 0.000 0.000 -0.000 3/17472 Thermal conductivity related properties were written into "kappa-m4134.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 20:26:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|