----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:04:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.245313210000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.754310439999998 0.000000000000000 c 0.000000000000000 0.000000000000000 15.665829340000000 Atomic positions (fractional): *1 F 0.59178501599076 0.25000000000000 0.30687621017437 18.998 2 F 0.40821498400924 0.75000000000000 0.69312378982563 18.998 3 F 0.09178501599076 0.25000000000000 0.19312378982563 18.998 4 F 0.90821498400924 0.75000000000000 0.80687621017437 18.998 *5 F 0.89791475781728 0.75000000000000 0.36632540348306 18.998 6 F 0.10208524218272 0.25000000000000 0.63367459651694 18.998 7 F 0.39791475781728 0.75000000000000 0.13367459651694 18.998 8 F 0.60208524218272 0.25000000000000 0.86632540348306 18.998 *9 F 0.86384207779404 0.75000000000000 0.53603671733671 18.998 10 F 0.13615792220596 0.25000000000000 0.46396328266329 18.998 11 F 0.36384207779404 0.75000000000000 0.96396328266329 18.998 12 F 0.63615792220596 0.25000000000000 0.03603671733671 18.998 *13 F 0.00443527105276 0.25000000000000 0.94166425820143 18.998 14 F 0.99556472894724 0.75000000000000 0.05833574179857 18.998 15 F 0.50443527105276 0.25000000000000 0.55833574179857 18.998 16 F 0.49556472894724 0.75000000000000 0.44166425820143 18.998 *17 K 0.72019673683681 0.25000000000000 0.70301191796892 39.098 18 K 0.27980326316319 0.75000000000000 0.29698808203108 39.098 19 K 0.22019673683681 0.25000000000000 0.79698808203108 39.098 20 K 0.77980326316319 0.75000000000000 0.20301191796892 39.098 *21 Pr 0.74792713418653 0.75000000000000 0.93982218492109 140.908 22 Pr 0.25207286581347 0.25000000000000 0.06017781507891 140.908 23 Pr 0.24792713418653 0.75000000000000 0.56017781507891 140.908 24 Pr 0.75207286581347 0.25000000000000 0.43982218492109 140.908 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.245313210000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.754310439999998 0.000000000000000 c 0.000000000000000 0.000000000000000 15.665829340000000 Atomic positions (fractional): *1 F 0.59178501599076 0.25000000000000 0.30687621017437 18.998 > 1 2 F 0.40821498400924 0.75000000000000 0.69312378982563 18.998 > 2 3 F 0.09178501599076 0.25000000000000 0.19312378982563 18.998 > 3 4 F 0.90821498400924 0.75000000000000 0.80687621017437 18.998 > 4 *5 F 0.89791475781728 0.75000000000000 0.36632540348306 18.998 > 5 6 F 0.10208524218272 0.25000000000000 0.63367459651694 18.998 > 6 7 F 0.39791475781728 0.75000000000000 0.13367459651694 18.998 > 7 8 F 0.60208524218272 0.25000000000000 0.86632540348306 18.998 > 8 *9 F 0.86384207779404 0.75000000000000 0.53603671733671 18.998 > 9 10 F 0.13615792220596 0.25000000000000 0.46396328266329 18.998 > 10 11 F 0.36384207779404 0.75000000000000 0.96396328266329 18.998 > 11 12 F 0.63615792220596 0.25000000000000 0.03603671733671 18.998 > 12 *13 F 0.00443527105276 0.25000000000000 0.94166425820143 18.998 > 13 14 F 0.99556472894724 0.75000000000000 0.05833574179857 18.998 > 14 15 F 0.50443527105276 0.25000000000000 0.55833574179857 18.998 > 15 16 F 0.49556472894724 0.75000000000000 0.44166425820143 18.998 > 16 *17 K 0.72019673683681 0.25000000000000 0.70301191796892 39.098 > 17 18 K 0.27980326316319 0.75000000000000 0.29698808203108 39.098 > 18 19 K 0.22019673683681 0.25000000000000 0.79698808203108 39.098 > 19 20 K 0.77980326316319 0.75000000000000 0.20301191796892 39.098 > 20 *21 Pr 0.74792713418653 0.75000000000000 0.93982218492109 140.908 > 21 22 Pr 0.25207286581347 0.25000000000000 0.06017781507891 140.908 > 22 23 Pr 0.24792713418653 0.75000000000000 0.56017781507891 140.908 > 23 24 Pr 0.75207286581347 0.25000000000000 0.43982218492109 140.908 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.490626420000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.262931319999995 0.000000000000000 c 0.000000000000000 0.000000000000000 15.665829340000000 Atomic positions (fractional): *1 F 0.29589250799538 0.08333333333333 0.30687621017437 18.998 > 1 2 F 0.79589250799538 0.08333333333333 0.30687621017437 18.998 > 1 3 F 0.29589250799538 0.41666666666667 0.30687621017437 18.998 > 1 4 F 0.79589250799538 0.41666666666667 0.30687621017437 18.998 > 1 5 F 0.29589250799538 0.75000000000000 0.30687621017437 18.998 > 1 6 F 0.79589250799538 0.75000000000000 0.30687621017437 18.998 > 1 7 F 0.20410749200462 0.25000000000000 0.69312378982563 18.998 > 2 8 F 0.70410749200462 0.25000000000000 0.69312378982563 18.998 > 2 9 F 0.20410749200462 0.58333333333333 0.69312378982563 18.998 > 2 10 F 0.70410749200462 0.58333333333333 0.69312378982563 18.998 > 2 11 F 0.20410749200462 0.91666666666667 0.69312378982563 18.998 > 2 12 F 0.70410749200462 0.91666666666667 0.69312378982563 18.998 > 2 13 F 0.04589250799538 0.08333333333333 0.19312378982563 18.998 > 3 14 F 0.54589250799538 0.08333333333333 0.19312378982563 18.998 > 3 15 F 0.04589250799538 0.41666666666667 0.19312378982563 18.998 > 3 16 F 0.54589250799538 0.41666666666667 0.19312378982563 18.998 > 3 17 F 0.04589250799538 0.75000000000000 0.19312378982563 18.998 > 3 18 F 0.54589250799538 0.75000000000000 0.19312378982563 18.998 > 3 19 F 0.45410749200462 0.25000000000000 0.80687621017437 18.998 > 4 20 F 0.95410749200462 0.25000000000000 0.80687621017437 18.998 > 4 21 F 0.45410749200462 0.58333333333333 0.80687621017437 18.998 > 4 22 F 0.95410749200462 0.58333333333333 0.80687621017437 18.998 > 4 23 F 0.45410749200462 0.91666666666667 0.80687621017437 18.998 > 4 24 F 0.95410749200462 0.91666666666667 0.80687621017437 18.998 > 4 *25 F 0.44895737890864 0.25000000000000 0.36632540348306 18.998 > 5 26 F 0.94895737890864 0.25000000000000 0.36632540348306 18.998 > 5 27 F 0.44895737890864 0.58333333333333 0.36632540348306 18.998 > 5 28 F 0.94895737890864 0.58333333333333 0.36632540348306 18.998 > 5 29 F 0.44895737890864 0.91666666666667 0.36632540348306 18.998 > 5 30 F 0.94895737890864 0.91666666666667 0.36632540348306 18.998 > 5 31 F 0.05104262109136 0.08333333333333 0.63367459651694 18.998 > 6 32 F 0.55104262109136 0.08333333333333 0.63367459651694 18.998 > 6 33 F 0.05104262109136 0.41666666666667 0.63367459651694 18.998 > 6 34 F 0.55104262109136 0.41666666666667 0.63367459651694 18.998 > 6 35 F 0.05104262109136 0.75000000000000 0.63367459651694 18.998 > 6 36 F 0.55104262109136 0.75000000000000 0.63367459651694 18.998 > 6 37 F 0.19895737890864 0.25000000000000 0.13367459651694 18.998 > 7 38 F 0.69895737890864 0.25000000000000 0.13367459651694 18.998 > 7 39 F 0.19895737890864 0.58333333333333 0.13367459651694 18.998 > 7 40 F 0.69895737890864 0.58333333333333 0.13367459651694 18.998 > 7 41 F 0.19895737890864 0.91666666666667 0.13367459651694 18.998 > 7 42 F 0.69895737890864 0.91666666666667 0.13367459651694 18.998 > 7 43 F 0.30104262109136 0.08333333333333 0.86632540348306 18.998 > 8 44 F 0.80104262109136 0.08333333333333 0.86632540348306 18.998 > 8 45 F 0.30104262109136 0.41666666666667 0.86632540348306 18.998 > 8 46 F 0.80104262109136 0.41666666666667 0.86632540348306 18.998 > 8 47 F 0.30104262109136 0.75000000000000 0.86632540348306 18.998 > 8 48 F 0.80104262109136 0.75000000000000 0.86632540348306 18.998 > 8 *49 F 0.43192103889702 0.25000000000000 0.53603671733671 18.998 > 9 50 F 0.93192103889702 0.25000000000000 0.53603671733671 18.998 > 9 51 F 0.43192103889702 0.58333333333333 0.53603671733671 18.998 > 9 52 F 0.93192103889702 0.58333333333333 0.53603671733671 18.998 > 9 53 F 0.43192103889702 0.91666666666667 0.53603671733671 18.998 > 9 54 F 0.93192103889702 0.91666666666667 0.53603671733671 18.998 > 9 55 F 0.06807896110298 0.08333333333333 0.46396328266329 18.998 > 10 56 F 0.56807896110298 0.08333333333333 0.46396328266329 18.998 > 10 57 F 0.06807896110298 0.41666666666667 0.46396328266329 18.998 > 10 58 F 0.56807896110298 0.41666666666667 0.46396328266329 18.998 > 10 59 F 0.06807896110298 0.75000000000000 0.46396328266329 18.998 > 10 60 F 0.56807896110298 0.75000000000000 0.46396328266329 18.998 > 10 61 F 0.18192103889702 0.25000000000000 0.96396328266329 18.998 > 11 62 F 0.68192103889702 0.25000000000000 0.96396328266329 18.998 > 11 63 F 0.18192103889702 0.58333333333333 0.96396328266329 18.998 > 11 64 F 0.68192103889702 0.58333333333333 0.96396328266329 18.998 > 11 65 F 0.18192103889702 0.91666666666667 0.96396328266329 18.998 > 11 66 F 0.68192103889702 0.91666666666667 0.96396328266329 18.998 > 11 67 F 0.31807896110298 0.08333333333333 0.03603671733671 18.998 > 12 68 F 0.81807896110298 0.08333333333333 0.03603671733671 18.998 > 12 69 F 0.31807896110298 0.41666666666667 0.03603671733671 18.998 > 12 70 F 0.81807896110298 0.41666666666667 0.03603671733671 18.998 > 12 71 F 0.31807896110298 0.75000000000000 0.03603671733671 18.998 > 12 72 F 0.81807896110298 0.75000000000000 0.03603671733671 18.998 > 12 *73 F 0.00221763552638 0.08333333333333 0.94166425820143 18.998 > 13 74 F 0.50221763552638 0.08333333333333 0.94166425820143 18.998 > 13 75 F 0.00221763552638 0.41666666666667 0.94166425820143 18.998 > 13 76 F 0.50221763552638 0.41666666666667 0.94166425820143 18.998 > 13 77 F 0.00221763552638 0.75000000000000 0.94166425820143 18.998 > 13 78 F 0.50221763552638 0.75000000000000 0.94166425820143 18.998 > 13 79 F 0.49778236447362 0.25000000000000 0.05833574179857 18.998 > 14 80 F 0.99778236447362 0.25000000000000 0.05833574179857 18.998 > 14 81 F 0.49778236447362 0.58333333333333 0.05833574179857 18.998 > 14 82 F 0.99778236447362 0.58333333333333 0.05833574179857 18.998 > 14 83 F 0.49778236447362 0.91666666666667 0.05833574179857 18.998 > 14 84 F 0.99778236447362 0.91666666666667 0.05833574179857 18.998 > 14 85 F 0.25221763552638 0.08333333333333 0.55833574179857 18.998 > 15 86 F 0.75221763552638 0.08333333333333 0.55833574179857 18.998 > 15 87 F 0.25221763552638 0.41666666666667 0.55833574179857 18.998 > 15 88 F 0.75221763552638 0.41666666666667 0.55833574179857 18.998 > 15 89 F 0.25221763552638 0.75000000000000 0.55833574179857 18.998 > 15 90 F 0.75221763552638 0.75000000000000 0.55833574179857 18.998 > 15 91 F 0.24778236447362 0.25000000000000 0.44166425820143 18.998 > 16 92 F 0.74778236447362 0.25000000000000 0.44166425820143 18.998 > 16 93 F 0.24778236447362 0.58333333333333 0.44166425820143 18.998 > 16 94 F 0.74778236447362 0.58333333333333 0.44166425820143 18.998 > 16 95 F 0.24778236447362 0.91666666666667 0.44166425820143 18.998 > 16 96 F 0.74778236447362 0.91666666666667 0.44166425820143 18.998 > 16 *97 K 0.36009836841840 0.08333333333333 0.70301191796892 39.098 > 17 98 K 0.86009836841840 0.08333333333333 0.70301191796892 39.098 > 17 99 K 0.36009836841840 0.41666666666667 0.70301191796892 39.098 > 17 100 K 0.86009836841840 0.41666666666667 0.70301191796892 39.098 > 17 101 K 0.36009836841840 0.75000000000000 0.70301191796892 39.098 > 17 102 K 0.86009836841840 0.75000000000000 0.70301191796892 39.098 > 17 103 K 0.13990163158160 0.25000000000000 0.29698808203108 39.098 > 18 104 K 0.63990163158160 0.25000000000000 0.29698808203108 39.098 > 18 105 K 0.13990163158160 0.58333333333333 0.29698808203108 39.098 > 18 106 K 0.63990163158160 0.58333333333333 0.29698808203108 39.098 > 18 107 K 0.13990163158160 0.91666666666667 0.29698808203108 39.098 > 18 108 K 0.63990163158160 0.91666666666667 0.29698808203108 39.098 > 18 109 K 0.11009836841840 0.08333333333333 0.79698808203108 39.098 > 19 110 K 0.61009836841840 0.08333333333333 0.79698808203108 39.098 > 19 111 K 0.11009836841840 0.41666666666667 0.79698808203108 39.098 > 19 112 K 0.61009836841840 0.41666666666667 0.79698808203108 39.098 > 19 113 K 0.11009836841840 0.75000000000000 0.79698808203108 39.098 > 19 114 K 0.61009836841840 0.75000000000000 0.79698808203108 39.098 > 19 115 K 0.38990163158160 0.25000000000000 0.20301191796892 39.098 > 20 116 K 0.88990163158160 0.25000000000000 0.20301191796892 39.098 > 20 117 K 0.38990163158160 0.58333333333333 0.20301191796892 39.098 > 20 118 K 0.88990163158160 0.58333333333333 0.20301191796892 39.098 > 20 119 K 0.38990163158160 0.91666666666667 0.20301191796892 39.098 > 20 120 K 0.88990163158160 0.91666666666667 0.20301191796892 39.098 > 20 *121 Pr 0.37396356709327 0.25000000000000 0.93982218492109 140.908 > 21 122 Pr 0.87396356709327 0.25000000000000 0.93982218492109 140.908 > 21 123 Pr 0.37396356709327 0.58333333333333 0.93982218492109 140.908 > 21 124 Pr 0.87396356709327 0.58333333333333 0.93982218492109 140.908 > 21 125 Pr 0.37396356709327 0.91666666666667 0.93982218492109 140.908 > 21 126 Pr 0.87396356709327 0.91666666666667 0.93982218492109 140.908 > 21 127 Pr 0.12603643290673 0.08333333333333 0.06017781507891 140.908 > 22 128 Pr 0.62603643290673 0.08333333333333 0.06017781507891 140.908 > 22 129 Pr 0.12603643290673 0.41666666666667 0.06017781507891 140.908 > 22 130 Pr 0.62603643290673 0.41666666666667 0.06017781507891 140.908 > 22 131 Pr 0.12603643290673 0.75000000000000 0.06017781507891 140.908 > 22 132 Pr 0.62603643290673 0.75000000000000 0.06017781507891 140.908 > 22 133 Pr 0.12396356709327 0.25000000000000 0.56017781507891 140.908 > 23 134 Pr 0.62396356709327 0.25000000000000 0.56017781507891 140.908 > 23 135 Pr 0.12396356709327 0.58333333333333 0.56017781507891 140.908 > 23 136 Pr 0.62396356709327 0.58333333333333 0.56017781507891 140.908 > 23 137 Pr 0.12396356709327 0.91666666666667 0.56017781507891 140.908 > 23 138 Pr 0.62396356709327 0.91666666666667 0.56017781507891 140.908 > 23 139 Pr 0.37603643290673 0.08333333333333 0.43982218492109 140.908 > 24 140 Pr 0.87603643290673 0.08333333333333 0.43982218492109 140.908 > 24 141 Pr 0.37603643290673 0.41666666666667 0.43982218492109 140.908 > 24 142 Pr 0.87603643290673 0.41666666666667 0.43982218492109 140.908 > 24 143 Pr 0.37603643290673 0.75000000000000 0.43982218492109 140.908 > 24 144 Pr 0.87603643290673 0.75000000000000 0.43982218492109 140.908 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4261448 0.0000000 0.0000000 0.0000000 2.4957755 0.0000000 0.0000000 0.0000000 2.3845813 -------------------------- Born effective charges -------------------------- 1 F -1.0290130 0.0000000 -0.2807804 0.0000000 -0.9785343 0.0000000 -0.2967858 0.0000000 -1.5515619 2 F -1.0290130 0.0000000 -0.2807804 0.0000000 -0.9785343 0.0000000 -0.2967858 0.0000000 -1.5515619 3 F -1.0290130 0.0000000 0.2807804 0.0000000 -0.9785343 0.0000000 0.2967858 0.0000000 -1.5515619 4 F -1.0290130 0.0000000 0.2807804 0.0000000 -0.9785343 0.0000000 0.2967858 0.0000000 -1.5515619 5 F -0.9893634 0.0000000 0.2145220 0.0000000 -1.6024287 0.0000000 0.2136469 0.0000000 -1.1343783 6 F -0.9893634 0.0000000 0.2145220 0.0000000 -1.6024287 0.0000000 0.2136469 0.0000000 -1.1343783 7 F -0.9893634 0.0000000 -0.2145220 0.0000000 -1.6024287 0.0000000 -0.2136469 0.0000000 -1.1343783 8 F -0.9893634 0.0000000 -0.2145220 0.0000000 -1.6024287 0.0000000 -0.2136469 0.0000000 -1.1343783 9 F -1.4249305 0.0000000 -0.3069073 0.0000000 -1.3299195 0.0000000 -0.2968313 0.0000000 -0.9548838 10 F -1.4249305 0.0000000 -0.3069073 0.0000000 -1.3299195 0.0000000 -0.2968313 0.0000000 -0.9548838 11 F -1.4249305 0.0000000 0.3069073 0.0000000 -1.3299195 0.0000000 0.2968313 0.0000000 -0.9548838 12 F -1.4249305 0.0000000 0.3069073 0.0000000 -1.3299195 0.0000000 0.2968313 0.0000000 -0.9548838 13 F -1.4245889 0.0000000 -0.3230815 0.0000000 -1.3337805 0.0000000 -0.2936257 0.0000000 -0.9998361 14 F -1.4245889 0.0000000 -0.3230815 0.0000000 -1.3337805 0.0000000 -0.2936257 0.0000000 -0.9998361 15 F -1.4245889 0.0000000 0.3230815 0.0000000 -1.3337805 0.0000000 0.2936257 0.0000000 -0.9998361 16 F -1.4245889 0.0000000 0.3230815 0.0000000 -1.3337805 0.0000000 0.2936257 0.0000000 -0.9998361 17 K 1.2220250 0.0000000 0.0428533 0.0000000 1.0901479 0.0000000 0.0846264 0.0000000 1.3771731 18 K 1.2220250 0.0000000 0.0428533 0.0000000 1.0901479 0.0000000 0.0846264 0.0000000 1.3771731 19 K 1.2220250 0.0000000 -0.0428533 0.0000000 1.0901479 0.0000000 -0.0846264 0.0000000 1.3771731 20 K 1.2220250 0.0000000 -0.0428533 0.0000000 1.0901479 0.0000000 -0.0846264 0.0000000 1.3771731 21 Pr 3.6458708 0.0000000 -0.0902136 0.0000000 4.1545150 0.0000000 -0.1024913 0.0000000 3.2634869 22 Pr 3.6458708 0.0000000 -0.0902136 0.0000000 4.1545150 0.0000000 -0.1024913 0.0000000 3.2634869 23 Pr 3.6458708 0.0000000 0.0902136 0.0000000 4.1545150 0.0000000 0.1024913 0.0000000 3.2634869 24 Pr 3.6458708 0.0000000 0.0902136 0.0000000 4.1545150 0.0000000 0.1024913 0.0000000 3.2634869 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2124 Number of blocks in projector: 2124 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 67 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2124, 2094), data: False |-- (288, 288), data: True |-- (288, 288), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 21), data: (576, 33) @ (33, 21) |-- (76, 67), data: True |-- (250, 238), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.017 Solver_block: 100 / 400 - Time: 0.793 Solver_block: 200 / 400 - Time: 0.779 Solver_block: 300 / 400 - Time: 0.906 Solver_block: 400 / 400 - Time: 0.657 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.329 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2124 Number of blocks in projector: 2124 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 67 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2124, 2094), data: False |-- (288, 288), data: True |-- (288, 288), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 21), data: (576, 33) @ (33, 21) |-- (76, 67), data: True |-- (250, 238), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 04:04:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:04:36]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.245313210000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.754310439999998 0.000000000000000 c 0.000000000000000 0.000000000000000 15.665829340000000 Atomic positions (fractional): 1 F 0.59178501599076 0.25000000000000 0.30687621017437 18.998 2 F 0.40821498400924 0.75000000000000 0.69312378982563 18.998 3 F 0.09178501599076 0.25000000000000 0.19312378982563 18.998 4 F 0.90821498400924 0.75000000000000 0.80687621017437 18.998 5 F 0.89791475781728 0.75000000000000 0.36632540348306 18.998 6 F 0.10208524218272 0.25000000000000 0.63367459651694 18.998 7 F 0.39791475781728 0.75000000000000 0.13367459651694 18.998 8 F 0.60208524218272 0.25000000000000 0.86632540348306 18.998 9 F 0.86384207779404 0.75000000000000 0.53603671733671 18.998 10 F 0.13615792220596 0.25000000000000 0.46396328266329 18.998 11 F 0.36384207779404 0.75000000000000 0.96396328266329 18.998 12 F 0.63615792220596 0.25000000000000 0.03603671733671 18.998 13 F 0.00443527105276 0.25000000000000 0.94166425820143 18.998 14 F 0.99556472894724 0.75000000000000 0.05833574179857 18.998 15 F 0.50443527105276 0.25000000000000 0.55833574179857 18.998 16 F 0.49556472894724 0.75000000000000 0.44166425820143 18.998 17 K 0.72019673683681 0.25000000000000 0.70301191796892 39.098 18 K 0.27980326316319 0.75000000000000 0.29698808203108 39.098 19 K 0.22019673683681 0.25000000000000 0.79698808203108 39.098 20 K 0.77980326316319 0.75000000000000 0.20301191796892 39.098 21 Pr 0.74792713418653 0.75000000000000 0.93982218492109 140.908 22 Pr 0.25207286581347 0.25000000000000 0.06017781507891 140.908 23 Pr 0.24792713418653 0.75000000000000 0.56017781507891 140.908 24 Pr 0.75207286581347 0.25000000000000 0.43982218492109 140.908 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.490626420000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.262931319999995 0.000000000000000 c 0.000000000000000 0.000000000000000 15.665829340000000 Atomic positions (fractional): 1 F 0.29589250799538 0.08333333333333 0.30687621017437 18.998 > 1 2 F 0.79589250799538 0.08333333333333 0.30687621017437 18.998 > 1 3 F 0.29589250799538 0.41666666666667 0.30687621017437 18.998 > 1 4 F 0.79589250799538 0.41666666666667 0.30687621017437 18.998 > 1 5 F 0.29589250799538 0.75000000000000 0.30687621017437 18.998 > 1 6 F 0.79589250799538 0.75000000000000 0.30687621017437 18.998 > 1 7 F 0.20410749200462 0.25000000000000 0.69312378982563 18.998 > 7 8 F 0.70410749200462 0.25000000000000 0.69312378982563 18.998 > 7 9 F 0.20410749200462 0.58333333333333 0.69312378982563 18.998 > 7 10 F 0.70410749200462 0.58333333333333 0.69312378982563 18.998 > 7 11 F 0.20410749200462 0.91666666666667 0.69312378982563 18.998 > 7 12 F 0.70410749200462 0.91666666666667 0.69312378982563 18.998 > 7 13 F 0.04589250799538 0.08333333333333 0.19312378982563 18.998 > 13 14 F 0.54589250799538 0.08333333333333 0.19312378982563 18.998 > 13 15 F 0.04589250799538 0.41666666666667 0.19312378982563 18.998 > 13 16 F 0.54589250799538 0.41666666666667 0.19312378982563 18.998 > 13 17 F 0.04589250799538 0.75000000000000 0.19312378982563 18.998 > 13 18 F 0.54589250799538 0.75000000000000 0.19312378982563 18.998 > 13 19 F 0.45410749200462 0.25000000000000 0.80687621017437 18.998 > 19 20 F 0.95410749200462 0.25000000000000 0.80687621017437 18.998 > 19 21 F 0.45410749200462 0.58333333333333 0.80687621017437 18.998 > 19 22 F 0.95410749200462 0.58333333333333 0.80687621017437 18.998 > 19 23 F 0.45410749200462 0.91666666666667 0.80687621017437 18.998 > 19 24 F 0.95410749200462 0.91666666666667 0.80687621017437 18.998 > 19 25 F 0.44895737890864 0.25000000000000 0.36632540348306 18.998 > 25 26 F 0.94895737890864 0.25000000000000 0.36632540348306 18.998 > 25 27 F 0.44895737890864 0.58333333333333 0.36632540348306 18.998 > 25 28 F 0.94895737890864 0.58333333333333 0.36632540348306 18.998 > 25 29 F 0.44895737890864 0.91666666666667 0.36632540348306 18.998 > 25 30 F 0.94895737890864 0.91666666666667 0.36632540348306 18.998 > 25 31 F 0.05104262109136 0.08333333333333 0.63367459651694 18.998 > 31 32 F 0.55104262109136 0.08333333333333 0.63367459651694 18.998 > 31 33 F 0.05104262109136 0.41666666666667 0.63367459651694 18.998 > 31 34 F 0.55104262109136 0.41666666666667 0.63367459651694 18.998 > 31 35 F 0.05104262109136 0.75000000000000 0.63367459651694 18.998 > 31 36 F 0.55104262109136 0.75000000000000 0.63367459651694 18.998 > 31 37 F 0.19895737890864 0.25000000000000 0.13367459651694 18.998 > 37 38 F 0.69895737890864 0.25000000000000 0.13367459651694 18.998 > 37 39 F 0.19895737890864 0.58333333333333 0.13367459651694 18.998 > 37 40 F 0.69895737890864 0.58333333333333 0.13367459651694 18.998 > 37 41 F 0.19895737890864 0.91666666666667 0.13367459651694 18.998 > 37 42 F 0.69895737890864 0.91666666666667 0.13367459651694 18.998 > 37 43 F 0.30104262109136 0.08333333333333 0.86632540348306 18.998 > 43 44 F 0.80104262109136 0.08333333333333 0.86632540348306 18.998 > 43 45 F 0.30104262109136 0.41666666666667 0.86632540348306 18.998 > 43 46 F 0.80104262109136 0.41666666666667 0.86632540348306 18.998 > 43 47 F 0.30104262109136 0.75000000000000 0.86632540348306 18.998 > 43 48 F 0.80104262109136 0.75000000000000 0.86632540348306 18.998 > 43 49 F 0.43192103889702 0.25000000000000 0.53603671733671 18.998 > 49 50 F 0.93192103889702 0.25000000000000 0.53603671733671 18.998 > 49 51 F 0.43192103889702 0.58333333333333 0.53603671733671 18.998 > 49 52 F 0.93192103889702 0.58333333333333 0.53603671733671 18.998 > 49 53 F 0.43192103889702 0.91666666666667 0.53603671733671 18.998 > 49 54 F 0.93192103889702 0.91666666666667 0.53603671733671 18.998 > 49 55 F 0.06807896110298 0.08333333333333 0.46396328266329 18.998 > 55 56 F 0.56807896110298 0.08333333333333 0.46396328266329 18.998 > 55 57 F 0.06807896110298 0.41666666666667 0.46396328266329 18.998 > 55 58 F 0.56807896110298 0.41666666666667 0.46396328266329 18.998 > 55 59 F 0.06807896110298 0.75000000000000 0.46396328266329 18.998 > 55 60 F 0.56807896110298 0.75000000000000 0.46396328266329 18.998 > 55 61 F 0.18192103889702 0.25000000000000 0.96396328266329 18.998 > 61 62 F 0.68192103889702 0.25000000000000 0.96396328266329 18.998 > 61 63 F 0.18192103889702 0.58333333333333 0.96396328266329 18.998 > 61 64 F 0.68192103889702 0.58333333333333 0.96396328266329 18.998 > 61 65 F 0.18192103889702 0.91666666666667 0.96396328266329 18.998 > 61 66 F 0.68192103889702 0.91666666666667 0.96396328266329 18.998 > 61 67 F 0.31807896110298 0.08333333333333 0.03603671733671 18.998 > 67 68 F 0.81807896110298 0.08333333333333 0.03603671733671 18.998 > 67 69 F 0.31807896110298 0.41666666666667 0.03603671733671 18.998 > 67 70 F 0.81807896110298 0.41666666666667 0.03603671733671 18.998 > 67 71 F 0.31807896110298 0.75000000000000 0.03603671733671 18.998 > 67 72 F 0.81807896110298 0.75000000000000 0.03603671733671 18.998 > 67 73 F 0.00221763552638 0.08333333333333 0.94166425820143 18.998 > 73 74 F 0.50221763552638 0.08333333333333 0.94166425820143 18.998 > 73 75 F 0.00221763552638 0.41666666666667 0.94166425820143 18.998 > 73 76 F 0.50221763552638 0.41666666666667 0.94166425820143 18.998 > 73 77 F 0.00221763552638 0.75000000000000 0.94166425820143 18.998 > 73 78 F 0.50221763552638 0.75000000000000 0.94166425820143 18.998 > 73 79 F 0.49778236447362 0.25000000000000 0.05833574179857 18.998 > 79 80 F 0.99778236447362 0.25000000000000 0.05833574179857 18.998 > 79 81 F 0.49778236447362 0.58333333333333 0.05833574179857 18.998 > 79 82 F 0.99778236447362 0.58333333333333 0.05833574179857 18.998 > 79 83 F 0.49778236447362 0.91666666666667 0.05833574179857 18.998 > 79 84 F 0.99778236447362 0.91666666666667 0.05833574179857 18.998 > 79 85 F 0.25221763552638 0.08333333333333 0.55833574179857 18.998 > 85 86 F 0.75221763552638 0.08333333333333 0.55833574179857 18.998 > 85 87 F 0.25221763552638 0.41666666666667 0.55833574179857 18.998 > 85 88 F 0.75221763552638 0.41666666666667 0.55833574179857 18.998 > 85 89 F 0.25221763552638 0.75000000000000 0.55833574179857 18.998 > 85 90 F 0.75221763552638 0.75000000000000 0.55833574179857 18.998 > 85 91 F 0.24778236447362 0.25000000000000 0.44166425820143 18.998 > 91 92 F 0.74778236447362 0.25000000000000 0.44166425820143 18.998 > 91 93 F 0.24778236447362 0.58333333333333 0.44166425820143 18.998 > 91 94 F 0.74778236447362 0.58333333333333 0.44166425820143 18.998 > 91 95 F 0.24778236447362 0.91666666666667 0.44166425820143 18.998 > 91 96 F 0.74778236447362 0.91666666666667 0.44166425820143 18.998 > 91 97 K 0.36009836841840 0.08333333333333 0.70301191796892 39.098 > 97 98 K 0.86009836841840 0.08333333333333 0.70301191796892 39.098 > 97 99 K 0.36009836841840 0.41666666666667 0.70301191796892 39.098 > 97 100 K 0.86009836841840 0.41666666666667 0.70301191796892 39.098 > 97 101 K 0.36009836841840 0.75000000000000 0.70301191796892 39.098 > 97 102 K 0.86009836841840 0.75000000000000 0.70301191796892 39.098 > 97 103 K 0.13990163158160 0.25000000000000 0.29698808203108 39.098 > 103 104 K 0.63990163158160 0.25000000000000 0.29698808203108 39.098 > 103 105 K 0.13990163158160 0.58333333333333 0.29698808203108 39.098 > 103 106 K 0.63990163158160 0.58333333333333 0.29698808203108 39.098 > 103 107 K 0.13990163158160 0.91666666666667 0.29698808203108 39.098 > 103 108 K 0.63990163158160 0.91666666666667 0.29698808203108 39.098 > 103 109 K 0.11009836841840 0.08333333333333 0.79698808203108 39.098 > 109 110 K 0.61009836841840 0.08333333333333 0.79698808203108 39.098 > 109 111 K 0.11009836841840 0.41666666666667 0.79698808203108 39.098 > 109 112 K 0.61009836841840 0.41666666666667 0.79698808203108 39.098 > 109 113 K 0.11009836841840 0.75000000000000 0.79698808203108 39.098 > 109 114 K 0.61009836841840 0.75000000000000 0.79698808203108 39.098 > 109 115 K 0.38990163158160 0.25000000000000 0.20301191796892 39.098 > 115 116 K 0.88990163158160 0.25000000000000 0.20301191796892 39.098 > 115 117 K 0.38990163158160 0.58333333333333 0.20301191796892 39.098 > 115 118 K 0.88990163158160 0.58333333333333 0.20301191796892 39.098 > 115 119 K 0.38990163158160 0.91666666666667 0.20301191796892 39.098 > 115 120 K 0.88990163158160 0.91666666666667 0.20301191796892 39.098 > 115 121 Pr 0.37396356709327 0.25000000000000 0.93982218492109 140.908 > 121 122 Pr 0.87396356709327 0.25000000000000 0.93982218492109 140.908 > 121 123 Pr 0.37396356709327 0.58333333333333 0.93982218492109 140.908 > 121 124 Pr 0.87396356709327 0.58333333333333 0.93982218492109 140.908 > 121 125 Pr 0.37396356709327 0.91666666666667 0.93982218492109 140.908 > 121 126 Pr 0.87396356709327 0.91666666666667 0.93982218492109 140.908 > 121 127 Pr 0.12603643290673 0.08333333333333 0.06017781507891 140.908 > 127 128 Pr 0.62603643290673 0.08333333333333 0.06017781507891 140.908 > 127 129 Pr 0.12603643290673 0.41666666666667 0.06017781507891 140.908 > 127 130 Pr 0.62603643290673 0.41666666666667 0.06017781507891 140.908 > 127 131 Pr 0.12603643290673 0.75000000000000 0.06017781507891 140.908 > 127 132 Pr 0.62603643290673 0.75000000000000 0.06017781507891 140.908 > 127 133 Pr 0.12396356709327 0.25000000000000 0.56017781507891 140.908 > 133 134 Pr 0.62396356709327 0.25000000000000 0.56017781507891 140.908 > 133 135 Pr 0.12396356709327 0.58333333333333 0.56017781507891 140.908 > 133 136 Pr 0.62396356709327 0.58333333333333 0.56017781507891 140.908 > 133 137 Pr 0.12396356709327 0.91666666666667 0.56017781507891 140.908 > 133 138 Pr 0.62396356709327 0.91666666666667 0.56017781507891 140.908 > 133 139 Pr 0.37603643290673 0.08333333333333 0.43982218492109 140.908 > 139 140 Pr 0.87603643290673 0.08333333333333 0.43982218492109 140.908 > 139 141 Pr 0.37603643290673 0.41666666666667 0.43982218492109 140.908 > 139 142 Pr 0.87603643290673 0.41666666666667 0.43982218492109 140.908 > 139 143 Pr 0.37603643290673 0.75000000000000 0.43982218492109 140.908 > 139 144 Pr 0.87603643290673 0.75000000000000 0.43982218492109 140.908 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4261448 0.0000000 0.0000000 0.0000000 2.4957755 0.0000000 0.0000000 0.0000000 2.3845813 -------------------------- Born effective charges -------------------------- 1 F -1.0290130 0.0000000 -0.2807804 0.0000000 -0.9785343 0.0000000 -0.2967858 0.0000000 -1.5515619 2 F -1.0290130 0.0000000 -0.2807804 0.0000000 -0.9785343 0.0000000 -0.2967858 0.0000000 -1.5515619 3 F -1.0290130 0.0000000 0.2807804 0.0000000 -0.9785343 0.0000000 0.2967858 0.0000000 -1.5515619 4 F -1.0290130 0.0000000 0.2807804 0.0000000 -0.9785343 0.0000000 0.2967858 0.0000000 -1.5515619 5 F -0.9893634 0.0000000 0.2145220 0.0000000 -1.6024287 0.0000000 0.2136469 0.0000000 -1.1343783 6 F -0.9893634 0.0000000 0.2145220 0.0000000 -1.6024287 0.0000000 0.2136469 0.0000000 -1.1343783 7 F -0.9893634 0.0000000 -0.2145220 0.0000000 -1.6024287 0.0000000 -0.2136469 0.0000000 -1.1343783 8 F -0.9893634 0.0000000 -0.2145220 0.0000000 -1.6024287 0.0000000 -0.2136469 0.0000000 -1.1343783 9 F -1.4249305 0.0000000 -0.3069073 0.0000000 -1.3299195 0.0000000 -0.2968313 0.0000000 -0.9548838 10 F -1.4249305 0.0000000 -0.3069073 0.0000000 -1.3299195 0.0000000 -0.2968313 0.0000000 -0.9548838 11 F -1.4249305 0.0000000 0.3069073 0.0000000 -1.3299195 0.0000000 0.2968313 0.0000000 -0.9548838 12 F -1.4249305 0.0000000 0.3069073 0.0000000 -1.3299195 0.0000000 0.2968313 0.0000000 -0.9548838 13 F -1.4245889 0.0000000 -0.3230815 0.0000000 -1.3337805 0.0000000 -0.2936257 0.0000000 -0.9998361 14 F -1.4245889 0.0000000 -0.3230815 0.0000000 -1.3337805 0.0000000 -0.2936257 0.0000000 -0.9998361 15 F -1.4245889 0.0000000 0.3230815 0.0000000 -1.3337805 0.0000000 0.2936257 0.0000000 -0.9998361 16 F -1.4245889 0.0000000 0.3230815 0.0000000 -1.3337805 0.0000000 0.2936257 0.0000000 -0.9998361 17 K 1.2220250 0.0000000 0.0428533 0.0000000 1.0901479 0.0000000 0.0846264 0.0000000 1.3771731 18 K 1.2220250 0.0000000 0.0428533 0.0000000 1.0901479 0.0000000 0.0846264 0.0000000 1.3771731 19 K 1.2220250 0.0000000 -0.0428533 0.0000000 1.0901479 0.0000000 -0.0846264 0.0000000 1.3771731 20 K 1.2220250 0.0000000 -0.0428533 0.0000000 1.0901479 0.0000000 -0.0846264 0.0000000 1.3771731 21 Pr 3.6458708 0.0000000 -0.0902136 0.0000000 4.1545150 0.0000000 -0.1024913 0.0000000 3.2634869 22 Pr 3.6458708 0.0000000 -0.0902136 0.0000000 4.1545150 0.0000000 -0.1024913 0.0000000 3.2634869 23 Pr 3.6458708 0.0000000 0.0902136 0.0000000 4.1545150 0.0000000 0.1024913 0.0000000 3.2634869 24 Pr 3.6458708 0.0000000 0.0902136 0.0000000 4.1545150 0.0000000 0.1024913 0.0000000 3.2634869 ---------------------------------------------------------------------------- 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[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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[ 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] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 121, 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 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) 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 04:05:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:05:09]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.245313210000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.754310439999998 0.000000000000000 c 0.000000000000000 0.000000000000000 15.665829340000000 Atomic positions (fractional): 1 F 0.59178501599076 0.25000000000000 0.30687621017437 18.998 2 F 0.40821498400924 0.75000000000000 0.69312378982563 18.998 3 F 0.09178501599076 0.25000000000000 0.19312378982563 18.998 4 F 0.90821498400924 0.75000000000000 0.80687621017437 18.998 5 F 0.89791475781728 0.75000000000000 0.36632540348306 18.998 6 F 0.10208524218272 0.25000000000000 0.63367459651694 18.998 7 F 0.39791475781728 0.75000000000000 0.13367459651694 18.998 8 F 0.60208524218272 0.25000000000000 0.86632540348306 18.998 9 F 0.86384207779404 0.75000000000000 0.53603671733671 18.998 10 F 0.13615792220596 0.25000000000000 0.46396328266329 18.998 11 F 0.36384207779404 0.75000000000000 0.96396328266329 18.998 12 F 0.63615792220596 0.25000000000000 0.03603671733671 18.998 13 F 0.00443527105276 0.25000000000000 0.94166425820143 18.998 14 F 0.99556472894724 0.75000000000000 0.05833574179857 18.998 15 F 0.50443527105276 0.25000000000000 0.55833574179857 18.998 16 F 0.49556472894724 0.75000000000000 0.44166425820143 18.998 17 K 0.72019673683681 0.25000000000000 0.70301191796892 39.098 18 K 0.27980326316319 0.75000000000000 0.29698808203108 39.098 19 K 0.22019673683681 0.25000000000000 0.79698808203108 39.098 20 K 0.77980326316319 0.75000000000000 0.20301191796892 39.098 21 Pr 0.74792713418653 0.75000000000000 0.93982218492109 140.908 22 Pr 0.25207286581347 0.25000000000000 0.06017781507891 140.908 23 Pr 0.24792713418653 0.75000000000000 0.56017781507891 140.908 24 Pr 0.75207286581347 0.25000000000000 0.43982218492109 140.908 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.490626420000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.262931319999995 0.000000000000000 c 0.000000000000000 0.000000000000000 15.665829340000000 Atomic positions (fractional): 1 F 0.29589250799538 0.08333333333333 0.30687621017437 18.998 > 1 2 F 0.79589250799538 0.08333333333333 0.30687621017437 18.998 > 1 3 F 0.29589250799538 0.41666666666667 0.30687621017437 18.998 > 1 4 F 0.79589250799538 0.41666666666667 0.30687621017437 18.998 > 1 5 F 0.29589250799538 0.75000000000000 0.30687621017437 18.998 > 1 6 F 0.79589250799538 0.75000000000000 0.30687621017437 18.998 > 1 7 F 0.20410749200462 0.25000000000000 0.69312378982563 18.998 > 7 8 F 0.70410749200462 0.25000000000000 0.69312378982563 18.998 > 7 9 F 0.20410749200462 0.58333333333333 0.69312378982563 18.998 > 7 10 F 0.70410749200462 0.58333333333333 0.69312378982563 18.998 > 7 11 F 0.20410749200462 0.91666666666667 0.69312378982563 18.998 > 7 12 F 0.70410749200462 0.91666666666667 0.69312378982563 18.998 > 7 13 F 0.04589250799538 0.08333333333333 0.19312378982563 18.998 > 13 14 F 0.54589250799538 0.08333333333333 0.19312378982563 18.998 > 13 15 F 0.04589250799538 0.41666666666667 0.19312378982563 18.998 > 13 16 F 0.54589250799538 0.41666666666667 0.19312378982563 18.998 > 13 17 F 0.04589250799538 0.75000000000000 0.19312378982563 18.998 > 13 18 F 0.54589250799538 0.75000000000000 0.19312378982563 18.998 > 13 19 F 0.45410749200462 0.25000000000000 0.80687621017437 18.998 > 19 20 F 0.95410749200462 0.25000000000000 0.80687621017437 18.998 > 19 21 F 0.45410749200462 0.58333333333333 0.80687621017437 18.998 > 19 22 F 0.95410749200462 0.58333333333333 0.80687621017437 18.998 > 19 23 F 0.45410749200462 0.91666666666667 0.80687621017437 18.998 > 19 24 F 0.95410749200462 0.91666666666667 0.80687621017437 18.998 > 19 25 F 0.44895737890864 0.25000000000000 0.36632540348306 18.998 > 25 26 F 0.94895737890864 0.25000000000000 0.36632540348306 18.998 > 25 27 F 0.44895737890864 0.58333333333333 0.36632540348306 18.998 > 25 28 F 0.94895737890864 0.58333333333333 0.36632540348306 18.998 > 25 29 F 0.44895737890864 0.91666666666667 0.36632540348306 18.998 > 25 30 F 0.94895737890864 0.91666666666667 0.36632540348306 18.998 > 25 31 F 0.05104262109136 0.08333333333333 0.63367459651694 18.998 > 31 32 F 0.55104262109136 0.08333333333333 0.63367459651694 18.998 > 31 33 F 0.05104262109136 0.41666666666667 0.63367459651694 18.998 > 31 34 F 0.55104262109136 0.41666666666667 0.63367459651694 18.998 > 31 35 F 0.05104262109136 0.75000000000000 0.63367459651694 18.998 > 31 36 F 0.55104262109136 0.75000000000000 0.63367459651694 18.998 > 31 37 F 0.19895737890864 0.25000000000000 0.13367459651694 18.998 > 37 38 F 0.69895737890864 0.25000000000000 0.13367459651694 18.998 > 37 39 F 0.19895737890864 0.58333333333333 0.13367459651694 18.998 > 37 40 F 0.69895737890864 0.58333333333333 0.13367459651694 18.998 > 37 41 F 0.19895737890864 0.91666666666667 0.13367459651694 18.998 > 37 42 F 0.69895737890864 0.91666666666667 0.13367459651694 18.998 > 37 43 F 0.30104262109136 0.08333333333333 0.86632540348306 18.998 > 43 44 F 0.80104262109136 0.08333333333333 0.86632540348306 18.998 > 43 45 F 0.30104262109136 0.41666666666667 0.86632540348306 18.998 > 43 46 F 0.80104262109136 0.41666666666667 0.86632540348306 18.998 > 43 47 F 0.30104262109136 0.75000000000000 0.86632540348306 18.998 > 43 48 F 0.80104262109136 0.75000000000000 0.86632540348306 18.998 > 43 49 F 0.43192103889702 0.25000000000000 0.53603671733671 18.998 > 49 50 F 0.93192103889702 0.25000000000000 0.53603671733671 18.998 > 49 51 F 0.43192103889702 0.58333333333333 0.53603671733671 18.998 > 49 52 F 0.93192103889702 0.58333333333333 0.53603671733671 18.998 > 49 53 F 0.43192103889702 0.91666666666667 0.53603671733671 18.998 > 49 54 F 0.93192103889702 0.91666666666667 0.53603671733671 18.998 > 49 55 F 0.06807896110298 0.08333333333333 0.46396328266329 18.998 > 55 56 F 0.56807896110298 0.08333333333333 0.46396328266329 18.998 > 55 57 F 0.06807896110298 0.41666666666667 0.46396328266329 18.998 > 55 58 F 0.56807896110298 0.41666666666667 0.46396328266329 18.998 > 55 59 F 0.06807896110298 0.75000000000000 0.46396328266329 18.998 > 55 60 F 0.56807896110298 0.75000000000000 0.46396328266329 18.998 > 55 61 F 0.18192103889702 0.25000000000000 0.96396328266329 18.998 > 61 62 F 0.68192103889702 0.25000000000000 0.96396328266329 18.998 > 61 63 F 0.18192103889702 0.58333333333333 0.96396328266329 18.998 > 61 64 F 0.68192103889702 0.58333333333333 0.96396328266329 18.998 > 61 65 F 0.18192103889702 0.91666666666667 0.96396328266329 18.998 > 61 66 F 0.68192103889702 0.91666666666667 0.96396328266329 18.998 > 61 67 F 0.31807896110298 0.08333333333333 0.03603671733671 18.998 > 67 68 F 0.81807896110298 0.08333333333333 0.03603671733671 18.998 > 67 69 F 0.31807896110298 0.41666666666667 0.03603671733671 18.998 > 67 70 F 0.81807896110298 0.41666666666667 0.03603671733671 18.998 > 67 71 F 0.31807896110298 0.75000000000000 0.03603671733671 18.998 > 67 72 F 0.81807896110298 0.75000000000000 0.03603671733671 18.998 > 67 73 F 0.00221763552638 0.08333333333333 0.94166425820143 18.998 > 73 74 F 0.50221763552638 0.08333333333333 0.94166425820143 18.998 > 73 75 F 0.00221763552638 0.41666666666667 0.94166425820143 18.998 > 73 76 F 0.50221763552638 0.41666666666667 0.94166425820143 18.998 > 73 77 F 0.00221763552638 0.75000000000000 0.94166425820143 18.998 > 73 78 F 0.50221763552638 0.75000000000000 0.94166425820143 18.998 > 73 79 F 0.49778236447362 0.25000000000000 0.05833574179857 18.998 > 79 80 F 0.99778236447362 0.25000000000000 0.05833574179857 18.998 > 79 81 F 0.49778236447362 0.58333333333333 0.05833574179857 18.998 > 79 82 F 0.99778236447362 0.58333333333333 0.05833574179857 18.998 > 79 83 F 0.49778236447362 0.91666666666667 0.05833574179857 18.998 > 79 84 F 0.99778236447362 0.91666666666667 0.05833574179857 18.998 > 79 85 F 0.25221763552638 0.08333333333333 0.55833574179857 18.998 > 85 86 F 0.75221763552638 0.08333333333333 0.55833574179857 18.998 > 85 87 F 0.25221763552638 0.41666666666667 0.55833574179857 18.998 > 85 88 F 0.75221763552638 0.41666666666667 0.55833574179857 18.998 > 85 89 F 0.25221763552638 0.75000000000000 0.55833574179857 18.998 > 85 90 F 0.75221763552638 0.75000000000000 0.55833574179857 18.998 > 85 91 F 0.24778236447362 0.25000000000000 0.44166425820143 18.998 > 91 92 F 0.74778236447362 0.25000000000000 0.44166425820143 18.998 > 91 93 F 0.24778236447362 0.58333333333333 0.44166425820143 18.998 > 91 94 F 0.74778236447362 0.58333333333333 0.44166425820143 18.998 > 91 95 F 0.24778236447362 0.91666666666667 0.44166425820143 18.998 > 91 96 F 0.74778236447362 0.91666666666667 0.44166425820143 18.998 > 91 97 K 0.36009836841840 0.08333333333333 0.70301191796892 39.098 > 97 98 K 0.86009836841840 0.08333333333333 0.70301191796892 39.098 > 97 99 K 0.36009836841840 0.41666666666667 0.70301191796892 39.098 > 97 100 K 0.86009836841840 0.41666666666667 0.70301191796892 39.098 > 97 101 K 0.36009836841840 0.75000000000000 0.70301191796892 39.098 > 97 102 K 0.86009836841840 0.75000000000000 0.70301191796892 39.098 > 97 103 K 0.13990163158160 0.25000000000000 0.29698808203108 39.098 > 103 104 K 0.63990163158160 0.25000000000000 0.29698808203108 39.098 > 103 105 K 0.13990163158160 0.58333333333333 0.29698808203108 39.098 > 103 106 K 0.63990163158160 0.58333333333333 0.29698808203108 39.098 > 103 107 K 0.13990163158160 0.91666666666667 0.29698808203108 39.098 > 103 108 K 0.63990163158160 0.91666666666667 0.29698808203108 39.098 > 103 109 K 0.11009836841840 0.08333333333333 0.79698808203108 39.098 > 109 110 K 0.61009836841840 0.08333333333333 0.79698808203108 39.098 > 109 111 K 0.11009836841840 0.41666666666667 0.79698808203108 39.098 > 109 112 K 0.61009836841840 0.41666666666667 0.79698808203108 39.098 > 109 113 K 0.11009836841840 0.75000000000000 0.79698808203108 39.098 > 109 114 K 0.61009836841840 0.75000000000000 0.79698808203108 39.098 > 109 115 K 0.38990163158160 0.25000000000000 0.20301191796892 39.098 > 115 116 K 0.88990163158160 0.25000000000000 0.20301191796892 39.098 > 115 117 K 0.38990163158160 0.58333333333333 0.20301191796892 39.098 > 115 118 K 0.88990163158160 0.58333333333333 0.20301191796892 39.098 > 115 119 K 0.38990163158160 0.91666666666667 0.20301191796892 39.098 > 115 120 K 0.88990163158160 0.91666666666667 0.20301191796892 39.098 > 115 121 Pr 0.37396356709327 0.25000000000000 0.93982218492109 140.908 > 121 122 Pr 0.87396356709327 0.25000000000000 0.93982218492109 140.908 > 121 123 Pr 0.37396356709327 0.58333333333333 0.93982218492109 140.908 > 121 124 Pr 0.87396356709327 0.58333333333333 0.93982218492109 140.908 > 121 125 Pr 0.37396356709327 0.91666666666667 0.93982218492109 140.908 > 121 126 Pr 0.87396356709327 0.91666666666667 0.93982218492109 140.908 > 121 127 Pr 0.12603643290673 0.08333333333333 0.06017781507891 140.908 > 127 128 Pr 0.62603643290673 0.08333333333333 0.06017781507891 140.908 > 127 129 Pr 0.12603643290673 0.41666666666667 0.06017781507891 140.908 > 127 130 Pr 0.62603643290673 0.41666666666667 0.06017781507891 140.908 > 127 131 Pr 0.12603643290673 0.75000000000000 0.06017781507891 140.908 > 127 132 Pr 0.62603643290673 0.75000000000000 0.06017781507891 140.908 > 127 133 Pr 0.12396356709327 0.25000000000000 0.56017781507891 140.908 > 133 134 Pr 0.62396356709327 0.25000000000000 0.56017781507891 140.908 > 133 135 Pr 0.12396356709327 0.58333333333333 0.56017781507891 140.908 > 133 136 Pr 0.62396356709327 0.58333333333333 0.56017781507891 140.908 > 133 137 Pr 0.12396356709327 0.91666666666667 0.56017781507891 140.908 > 133 138 Pr 0.62396356709327 0.91666666666667 0.56017781507891 140.908 > 133 139 Pr 0.37603643290673 0.08333333333333 0.43982218492109 140.908 > 139 140 Pr 0.87603643290673 0.08333333333333 0.43982218492109 140.908 > 139 141 Pr 0.37603643290673 0.41666666666667 0.43982218492109 140.908 > 139 142 Pr 0.87603643290673 0.41666666666667 0.43982218492109 140.908 > 139 143 Pr 0.37603643290673 0.75000000000000 0.43982218492109 140.908 > 139 144 Pr 0.87603643290673 0.75000000000000 0.43982218492109 140.908 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.4261448 0.0000000 0.0000000 0.0000000 2.4957755 0.0000000 0.0000000 0.0000000 2.3845813 -------------------------- Born effective charges -------------------------- 1 F -1.0290130 0.0000000 -0.2807804 0.0000000 -0.9785343 0.0000000 -0.2967858 0.0000000 -1.5515619 2 F -1.0290130 0.0000000 -0.2807804 0.0000000 -0.9785343 0.0000000 -0.2967858 0.0000000 -1.5515619 3 F -1.0290130 0.0000000 0.2807804 0.0000000 -0.9785343 0.0000000 0.2967858 0.0000000 -1.5515619 4 F -1.0290130 0.0000000 0.2807804 0.0000000 -0.9785343 0.0000000 0.2967858 0.0000000 -1.5515619 5 F -0.9893634 0.0000000 0.2145220 0.0000000 -1.6024287 0.0000000 0.2136469 0.0000000 -1.1343783 6 F -0.9893634 0.0000000 0.2145220 0.0000000 -1.6024287 0.0000000 0.2136469 0.0000000 -1.1343783 7 F -0.9893634 0.0000000 -0.2145220 0.0000000 -1.6024287 0.0000000 -0.2136469 0.0000000 -1.1343783 8 F -0.9893634 0.0000000 -0.2145220 0.0000000 -1.6024287 0.0000000 -0.2136469 0.0000000 -1.1343783 9 F -1.4249305 0.0000000 -0.3069073 0.0000000 -1.3299195 0.0000000 -0.2968313 0.0000000 -0.9548838 10 F -1.4249305 0.0000000 -0.3069073 0.0000000 -1.3299195 0.0000000 -0.2968313 0.0000000 -0.9548838 11 F -1.4249305 0.0000000 0.3069073 0.0000000 -1.3299195 0.0000000 0.2968313 0.0000000 -0.9548838 12 F -1.4249305 0.0000000 0.3069073 0.0000000 -1.3299195 0.0000000 0.2968313 0.0000000 -0.9548838 13 F -1.4245889 0.0000000 -0.3230815 0.0000000 -1.3337805 0.0000000 -0.2936257 0.0000000 -0.9998361 14 F -1.4245889 0.0000000 -0.3230815 0.0000000 -1.3337805 0.0000000 -0.2936257 0.0000000 -0.9998361 15 F -1.4245889 0.0000000 0.3230815 0.0000000 -1.3337805 0.0000000 0.2936257 0.0000000 -0.9998361 16 F -1.4245889 0.0000000 0.3230815 0.0000000 -1.3337805 0.0000000 0.2936257 0.0000000 -0.9998361 17 K 1.2220250 0.0000000 0.0428533 0.0000000 1.0901479 0.0000000 0.0846264 0.0000000 1.3771731 18 K 1.2220250 0.0000000 0.0428533 0.0000000 1.0901479 0.0000000 0.0846264 0.0000000 1.3771731 19 K 1.2220250 0.0000000 -0.0428533 0.0000000 1.0901479 0.0000000 -0.0846264 0.0000000 1.3771731 20 K 1.2220250 0.0000000 -0.0428533 0.0000000 1.0901479 0.0000000 -0.0846264 0.0000000 1.3771731 21 Pr 3.6458708 0.0000000 -0.0902136 0.0000000 4.1545150 0.0000000 -0.1024913 0.0000000 3.2634869 22 Pr 3.6458708 0.0000000 -0.0902136 0.0000000 4.1545150 0.0000000 -0.1024913 0.0000000 3.2634869 23 Pr 3.6458708 0.0000000 0.0902136 0.0000000 4.1545150 0.0000000 0.1024913 0.0000000 3.2634869 24 Pr 3.6458708 0.0000000 0.0902136 0.0000000 4.1545150 0.0000000 0.1024913 0.0000000 3.2634869 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 13 3 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.58, Number of G-points: 305, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/70) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.093 ( 0.000 0.000 0.000) 0.000 1.276 ( 0.000 0.000 0.000) 0.000 1.879 ( 0.000 0.000 0.000) 0.000 2.018 ( 0.000 0.000 0.000) 0.000 2.436 ( 0.000 0.000 0.000) 0.000 2.443 ( 0.000 0.000 0.000) 0.000 2.559 ( 0.000 0.000 0.000) 0.000 2.567 ( 0.000 0.000 0.000) 0.000 2.976 ( 0.000 0.000 0.000) 0.000 3.017 ( 0.000 0.000 0.000) 0.000 3.227 ( 0.000 0.000 0.000) 0.000 3.322 ( 0.000 0.000 0.000) 0.000 3.378 ( 0.000 0.000 0.000) 0.000 4.148 ( 0.000 0.000 0.000) 0.000 4.257 ( 0.000 0.000 0.000) 0.000 4.455 ( 0.000 0.000 0.000) 0.000 4.563 ( 0.000 0.000 0.000) 0.000 5.153 ( 0.000 0.000 0.000) 0.000 5.224 ( 0.000 0.000 0.000) 0.000 5.232 ( 0.000 0.000 0.000) 0.000 5.384 ( 0.000 0.000 0.000) 0.000 5.544 ( 0.000 0.000 0.000) 0.000 5.635 ( 0.000 0.000 0.000) 0.000 5.820 ( 0.000 0.000 0.000) 0.000 5.841 ( 0.000 0.000 0.000) 0.000 5.933 ( 0.000 0.000 0.000) 0.000 6.036 ( 0.000 0.000 0.000) 0.000 6.084 ( 0.000 0.000 0.000) 0.000 6.293 ( 0.000 0.000 0.000) 0.000 6.295 ( 0.000 0.000 0.000) 0.000 6.432 ( 0.000 0.000 0.000) 0.000 6.453 ( 0.000 0.000 0.000) 0.000 6.604 ( 0.000 0.000 0.000) 0.000 6.740 ( 0.000 0.000 0.000) 0.000 6.843 ( 0.000 0.000 0.000) 0.000 7.057 ( 0.000 0.000 0.000) 0.000 7.058 ( 0.000 0.000 0.000) 0.000 7.069 ( 0.000 0.000 0.000) 0.000 7.090 ( 0.000 0.000 0.000) 0.000 7.194 ( 0.000 0.000 0.000) 0.000 7.504 ( 0.000 0.000 0.000) 0.000 7.652 ( 0.000 0.000 0.000) 0.000 7.690 ( 0.000 0.000 0.000) 0.000 8.006 ( 0.000 0.000 0.000) 0.000 8.357 ( 0.000 0.000 0.000) 0.000 8.395 ( 0.000 0.000 0.000) 0.000 8.568 ( 0.000 0.000 0.000) 0.000 8.663 ( 0.000 0.000 0.000) 0.000 8.701 ( 0.000 0.000 0.000) 0.000 8.789 ( 0.000 0.000 0.000) 0.000 8.805 ( 0.000 0.000 0.000) 0.000 8.824 ( 0.000 0.000 0.000) 0.000 8.891 ( 0.000 0.000 0.000) 0.000 9.024 ( 0.000 0.000 0.000) 0.000 9.104 ( 0.000 0.000 0.000) 0.000 9.251 ( 0.000 0.000 0.000) 0.000 9.287 ( 0.000 0.000 0.000) 0.000 9.500 ( 0.000 0.000 0.000) 0.000 9.503 ( 0.000 0.000 0.000) 0.000 9.595 ( 0.000 0.000 0.000) 0.000 9.776 ( 0.000 0.000 0.000) 0.000 9.958 ( 0.000 0.000 0.000) 0.000 10.165 ( 0.000 0.000 0.000) 0.000 10.296 ( 0.000 0.000 0.000) 0.000 11.891 ( 0.000 0.000 0.000) 0.000 12.280 ( 0.000 0.000 0.000) 0.000 12.313 ( 0.000 0.000 0.000) 0.000 12.400 ( 0.000 0.000 0.000) 0.000 12.440 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/70) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.527 ( 26.018 0.000 0.000) 26.018 0.543 ( 26.791 0.000 0.000) 26.791 0.939 ( 46.003 0.000 0.000) 46.003 1.206 ( 10.509 0.000 0.000) 10.509 1.405 ( 11.739 0.000 0.000) 11.739 1.784 ( -14.509 0.000 0.000) 14.509 1.892 ( 1.175 0.000 0.000) 1.175 2.458 ( 1.442 0.000 0.000) 1.442 2.531 ( -2.955 0.000 0.000) 2.955 2.563 ( -0.272 0.000 0.000) 0.272 2.689 ( 16.383 0.000 0.000) 16.383 2.983 ( -3.274 0.000 0.000) 3.274 3.006 ( 2.966 0.000 0.000) 2.966 3.152 ( -10.276 0.000 0.000) 10.276 3.188 ( -3.849 0.000 0.000) 3.849 3.463 ( 1.284 0.000 0.000) 1.284 4.002 ( -11.072 0.000 0.000) 11.072 4.237 ( -9.758 0.000 0.000) 9.758 4.345 ( 5.012 0.000 0.000) 5.012 4.838 ( -19.786 0.000 0.000) 19.786 4.839 ( 11.788 0.000 0.000) 11.788 5.101 ( -11.354 0.000 0.000) 11.354 5.306 ( -3.132 0.000 0.000) 3.132 5.374 ( -13.516 0.000 0.000) 13.516 5.579 ( 7.202 0.000 0.000) 7.202 5.724 ( 4.597 0.000 0.000) 4.597 5.775 ( -5.391 0.000 0.000) 5.391 5.845 ( 0.337 0.000 0.000) 0.337 5.935 ( 0.298 0.000 0.000) 0.298 6.016 ( -1.846 0.000 0.000) 1.846 6.078 ( -0.606 0.000 0.000) 0.606 6.263 ( -14.273 0.000 0.000) 14.273 6.293 ( 0.103 0.000 0.000) 0.103 6.300 ( 0.520 0.000 0.000) 0.520 6.470 ( 3.861 0.000 0.000) 3.861 6.703 ( 5.568 0.000 0.000) 5.568 6.769 ( 5.211 0.000 0.000) 5.211 6.861 ( 1.714 0.000 0.000) 1.714 7.006 ( -4.631 0.000 0.000) 4.631 7.012 ( -5.057 0.000 0.000) 5.057 7.131 ( 3.863 0.000 0.000) 3.863 7.194 ( -0.035 0.000 0.000) 0.035 7.516 ( 2.000 0.000 0.000) 2.000 7.704 ( 4.584 0.000 0.000) 4.584 7.735 ( 3.978 0.000 0.000) 3.978 8.011 ( 0.257 0.000 0.000) 0.257 8.385 ( -1.386 0.000 0.000) 1.386 8.414 ( 3.242 0.000 0.000) 3.242 8.530 ( -1.523 0.000 0.000) 1.523 8.657 ( -0.575 0.000 0.000) 0.575 8.658 ( 7.966 0.000 0.000) 7.966 8.670 ( -4.596 0.000 0.000) 4.596 8.692 ( -0.862 0.000 0.000) 0.862 8.737 ( -7.439 0.000 0.000) 7.439 8.806 ( 0.115 0.000 0.000) 0.115 8.824 ( -0.033 0.000 0.000) 0.033 9.173 ( -1.645 0.000 0.000) 1.645 9.232 ( 13.359 0.000 0.000) 13.359 9.359 ( 12.715 0.000 0.000) 12.715 9.508 ( 0.785 0.000 0.000) 0.785 9.511 ( 0.746 0.000 0.000) 0.746 9.600 ( 0.474 0.000 0.000) 0.474 9.782 ( 0.671 0.000 0.000) 0.671 10.009 ( 5.120 0.000 0.000) 5.120 10.148 ( -1.532 0.000 0.000) 1.532 10.329 ( 3.002 0.000 0.000) 3.002 11.742 ( -13.244 0.000 0.000) 13.244 12.172 ( -10.023 0.000 0.000) 10.023 12.311 ( 0.440 0.000 0.000) 0.440 12.341 ( -3.820 0.000 0.000) 3.820 12.445 ( 3.735 0.000 0.000) 3.735 12.552 ( 3.596 0.000 0.000) 3.596 ======================= Grid point 2 (3/70) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 24.715 0.000 0.000) 24.715 1.065 ( 25.105 0.000 0.000) 25.105 1.468 ( 14.443 0.000 0.000) 14.443 1.579 ( -2.500 0.000 0.000) 2.500 1.679 ( 13.771 0.000 0.000) 13.771 1.823 ( 38.703 0.000 0.000) 38.703 1.921 ( 1.568 0.000 0.000) 1.568 2.435 ( -6.904 0.000 0.000) 6.904 2.501 ( 2.792 0.000 0.000) 2.792 2.562 ( 0.411 0.000 0.000) 0.411 2.834 ( -8.664 0.000 0.000) 8.664 2.893 ( -5.478 0.000 0.000) 5.478 3.072 ( 8.603 0.000 0.000) 8.603 3.075 ( -7.363 0.000 0.000) 7.363 3.094 ( 6.033 0.000 0.000) 6.033 3.441 ( -0.345 0.000 0.000) 0.345 3.724 ( -16.523 0.000 0.000) 16.523 4.167 ( -0.045 0.000 0.000) 0.045 4.401 ( -6.262 0.000 0.000) 6.262 4.490 ( -8.686 0.000 0.000) 8.686 4.742 ( -13.108 0.000 0.000) 13.108 5.058 ( -16.438 0.000 0.000) 16.438 5.133 ( 9.638 0.000 0.000) 9.638 5.240 ( -3.973 0.000 0.000) 3.973 5.616 ( -8.254 0.000 0.000) 8.254 5.640 ( -1.312 0.000 0.000) 1.312 5.762 ( -0.679 0.000 0.000) 0.679 5.853 ( 0.451 0.000 0.000) 0.451 5.945 ( -17.048 0.000 0.000) 17.048 5.946 ( 0.843 0.000 0.000) 0.843 5.970 ( -2.587 0.000 0.000) 2.587 6.060 ( -1.149 0.000 0.000) 1.149 6.299 ( 0.485 0.000 0.000) 0.485 6.313 ( 0.667 0.000 0.000) 0.667 6.585 ( 7.102 0.000 0.000) 7.102 6.798 ( 5.064 0.000 0.000) 5.064 6.897 ( -5.806 0.000 0.000) 5.806 6.897 ( -5.610 0.000 0.000) 5.610 6.909 ( 2.940 0.000 0.000) 2.940 6.925 ( 7.697 0.000 0.000) 7.697 7.146 ( -2.034 0.000 0.000) 2.034 7.190 ( -0.414 0.000 0.000) 0.414 7.613 ( 7.421 0.000 0.000) 7.421 7.806 ( 5.074 0.000 0.000) 5.074 7.825 ( 4.505 0.000 0.000) 4.505 8.004 ( -1.137 0.000 0.000) 1.137 8.325 ( -3.696 0.000 0.000) 3.696 8.421 ( -2.326 0.000 0.000) 2.326 8.498 ( -0.292 0.000 0.000) 0.292 8.600 ( -3.784 0.000 0.000) 3.784 8.642 ( -0.772 0.000 0.000) 0.772 8.670 ( -1.299 0.000 0.000) 1.299 8.681 ( 3.447 0.000 0.000) 3.447 8.809 ( 0.194 0.000 0.000) 0.194 8.823 ( -0.079 0.000 0.000) 0.079 8.890 ( 9.125 0.000 0.000) 9.125 9.133 ( 0.263 0.000 0.000) 0.263 9.450 ( 6.509 0.000 0.000) 6.509 9.528 ( 1.065 0.000 0.000) 1.065 9.529 ( 1.018 0.000 0.000) 1.018 9.608 ( 10.696 0.000 0.000) 10.696 9.625 ( 3.116 0.000 0.000) 3.116 9.809 ( 2.287 0.000 0.000) 2.287 10.113 ( -1.759 0.000 0.000) 1.759 10.173 ( 11.547 0.000 0.000) 11.547 10.397 ( 3.478 0.000 0.000) 3.478 11.414 ( -18.695 0.000 0.000) 18.695 11.789 ( -23.782 0.000 0.000) 23.782 12.339 ( 2.190 0.000 0.000) 2.190 12.363 ( 3.076 0.000 0.000) 3.076 12.525 ( 3.873 0.000 0.000) 3.873 12.613 ( 1.963 0.000 0.000) 1.963 ======================= Grid point 3 (4/70) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( 22.456 0.000 0.000) 22.456 1.540 ( 22.115 0.000 0.000) 22.115 1.638 ( 7.766 0.000 0.000) 7.766 1.738 ( 11.569 0.000 0.000) 11.569 1.881 ( 5.071 0.000 0.000) 5.071 1.943 ( 0.171 0.000 0.000) 0.171 2.245 ( -12.233 0.000 0.000) 12.233 2.301 ( -3.760 0.000 0.000) 3.760 2.568 ( 3.940 0.000 0.000) 3.940 2.595 ( 3.240 0.000 0.000) 3.240 2.742 ( 12.547 0.000 0.000) 12.547 2.777 ( -5.678 0.000 0.000) 5.678 2.903 ( -9.434 0.000 0.000) 9.434 3.271 ( 11.806 0.000 0.000) 11.806 3.308 ( 14.586 0.000 0.000) 14.586 3.378 ( -16.473 0.000 0.000) 16.473 3.558 ( 13.006 0.000 0.000) 13.006 4.016 ( -16.249 0.000 0.000) 16.249 4.059 ( -19.659 0.000 0.000) 19.659 4.414 ( -12.189 0.000 0.000) 12.189 4.673 ( 6.287 0.000 0.000) 6.287 4.798 ( -5.524 0.000 0.000) 5.524 5.160 ( -2.825 0.000 0.000) 2.825 5.310 ( 7.753 0.000 0.000) 7.753 5.450 ( -9.830 0.000 0.000) 9.830 5.553 ( -7.679 0.000 0.000) 7.679 5.666 ( -6.780 0.000 0.000) 6.780 5.709 ( -4.083 0.000 0.000) 4.083 5.863 ( 0.690 0.000 0.000) 0.690 5.920 ( -2.239 0.000 0.000) 2.239 5.969 ( 1.416 0.000 0.000) 1.416 6.033 ( -1.528 0.000 0.000) 1.528 6.312 ( 0.781 0.000 0.000) 0.781 6.324 ( 0.389 0.000 0.000) 0.389 6.732 ( 7.142 0.000 0.000) 7.142 6.798 ( -3.707 0.000 0.000) 3.707 6.800 ( -3.747 0.000 0.000) 3.747 6.885 ( 2.331 0.000 0.000) 2.331 6.972 ( 3.135 0.000 0.000) 3.135 7.042 ( 3.605 0.000 0.000) 3.605 7.086 ( -2.439 0.000 0.000) 2.439 7.174 ( -1.364 0.000 0.000) 1.364 7.773 ( 7.533 0.000 0.000) 7.533 7.891 ( 3.160 0.000 0.000) 3.160 7.900 ( 2.711 0.000 0.000) 2.711 7.965 ( -2.724 0.000 0.000) 2.724 8.280 ( -0.517 0.000 0.000) 0.517 8.358 ( -3.287 0.000 0.000) 3.287 8.509 ( 0.950 0.000 0.000) 0.950 8.549 ( -1.685 0.000 0.000) 1.685 8.629 ( -0.410 0.000 0.000) 0.410 8.644 ( -1.109 0.000 0.000) 1.109 8.761 ( 4.096 0.000 0.000) 4.096 8.813 ( 0.218 0.000 0.000) 0.218 8.821 ( -0.137 0.000 0.000) 0.137 8.923 ( -3.383 0.000 0.000) 3.383 9.251 ( 8.473 0.000 0.000) 8.473 9.472 ( -2.519 0.000 0.000) 2.519 9.547 ( 0.728 0.000 0.000) 0.728 9.547 ( 0.693 0.000 0.000) 0.693 9.726 ( 4.974 0.000 0.000) 4.974 9.756 ( 3.785 0.000 0.000) 3.785 9.900 ( 7.066 0.000 0.000) 7.066 10.081 ( -1.554 0.000 0.000) 1.554 10.448 ( 11.357 0.000 0.000) 11.357 10.497 ( 11.505 0.000 0.000) 11.505 11.018 ( -20.099 0.000 0.000) 20.099 11.306 ( -23.565 0.000 0.000) 23.565 12.390 ( 2.689 0.000 0.000) 2.689 12.420 ( 2.095 0.000 0.000) 2.095 12.588 ( 2.239 0.000 0.000) 2.239 12.628 ( -0.181 0.000 0.000) 0.181 ======================= Grid point 4 (5/70) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( -3.442 0.000 0.000) 3.442 1.796 ( 3.442 0.000 0.000) 3.442 1.897 ( -1.839 0.000 0.000) 1.839 1.897 ( 1.839 0.000 0.000) 1.839 1.949 ( -14.967 0.000 0.000) 14.967 1.949 ( 14.967 0.000 0.000) 14.967 1.998 ( -16.763 0.000 0.000) 16.763 1.998 ( 16.763 0.000 0.000) 16.763 2.651 ( -3.100 0.000 0.000) 3.100 2.651 ( 3.100 0.000 0.000) 3.100 2.728 ( -6.126 0.000 0.000) 6.126 2.728 ( 6.126 0.000 0.000) 6.126 3.059 ( -14.864 0.000 0.000) 14.864 3.059 ( 14.864 0.000 0.000) 14.864 3.569 ( -8.674 0.000 0.000) 8.674 3.569 ( 8.674 0.000 0.000) 8.674 3.696 ( -9.144 0.000 0.000) 9.144 3.696 ( 9.144 0.000 0.000) 9.144 3.989 ( -24.386 0.000 0.000) 24.386 3.989 ( 24.386 0.000 0.000) 24.386 4.785 ( -1.239 0.000 0.000) 1.239 4.785 ( 1.239 0.000 0.000) 1.239 5.210 ( -9.527 0.000 0.000) 9.527 5.210 ( 9.527 0.000 0.000) 9.527 5.442 ( -5.342 0.000 0.000) 5.342 5.442 ( 5.342 0.000 0.000) 5.342 5.634 ( -2.243 0.000 0.000) 2.243 5.634 ( 2.243 0.000 0.000) 2.243 5.884 ( -1.391 0.000 0.000) 1.391 5.884 ( 1.391 0.000 0.000) 1.391 6.001 ( -1.651 0.000 0.000) 1.651 6.001 ( 1.651 0.000 0.000) 1.651 6.325 ( -0.349 0.000 0.000) 0.349 6.325 ( 0.349 0.000 0.000) 0.349 6.760 ( -0.049 0.000 0.000) 0.049 6.760 ( 0.049 0.000 0.000) 0.049 6.856 ( -4.745 0.000 0.000) 4.745 6.856 ( 4.745 0.000 0.000) 4.745 7.024 ( -2.053 0.000 0.000) 2.053 7.024 ( 2.053 0.000 0.000) 2.053 7.130 ( -3.103 0.000 0.000) 3.103 7.130 ( 3.103 0.000 0.000) 3.103 7.894 ( -4.541 0.000 0.000) 4.541 7.894 ( 4.541 0.000 0.000) 4.541 7.926 ( -0.198 0.000 0.000) 0.198 7.926 ( 0.198 0.000 0.000) 0.198 8.300 ( -2.286 0.000 0.000) 2.286 8.300 ( 2.286 0.000 0.000) 2.286 8.527 ( -0.809 0.000 0.000) 0.809 8.527 ( 0.809 0.000 0.000) 0.809 8.629 ( -0.383 0.000 0.000) 0.383 8.629 ( 0.383 0.000 0.000) 0.383 8.818 ( -0.192 0.000 0.000) 0.192 8.818 ( 0.192 0.000 0.000) 0.192 8.842 ( -4.101 0.000 0.000) 4.101 8.842 ( 4.101 0.000 0.000) 4.101 9.391 ( -5.389 0.000 0.000) 5.389 9.391 ( 5.389 0.000 0.000) 5.389 9.555 ( -0.014 0.000 0.000) 0.014 9.555 ( 0.014 0.000 0.000) 0.014 9.784 ( -0.705 0.000 0.000) 0.705 9.784 ( 0.705 0.000 0.000) 0.705 10.030 ( -4.447 0.000 0.000) 4.447 10.030 ( 4.447 0.000 0.000) 4.447 10.658 ( -14.452 0.000 0.000) 14.452 10.658 ( 14.452 0.000 0.000) 14.452 10.862 ( -20.720 0.000 0.000) 20.720 10.862 ( 20.720 0.000 0.000) 20.720 12.432 ( -1.018 0.000 0.000) 1.018 12.432 ( 1.018 0.000 0.000) 1.018 12.617 ( -0.869 0.000 0.000) 0.869 12.617 ( 0.869 0.000 0.000) 0.869 ======================= Grid point 9 (6/70) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.476 ( 0.000 23.302 0.000) 23.302 0.544 ( 0.000 27.152 0.000) 27.152 1.082 ( 0.000 51.865 0.000) 51.865 1.379 ( 0.000 9.786 0.000) 9.786 1.461 ( 0.000 29.879 0.000) 29.879 1.763 ( 0.000 -3.671 0.000) 3.671 2.323 ( 0.000 21.461 0.000) 21.461 2.417 ( 0.000 0.489 0.000) 0.489 2.647 ( 0.000 7.358 0.000) 7.358 2.649 ( 0.000 8.384 0.000) 8.384 2.707 ( 0.000 14.237 0.000) 14.237 3.037 ( 0.000 6.480 0.000) 6.480 3.194 ( 0.000 16.142 0.000) 16.142 3.341 ( 0.000 4.143 0.000) 4.143 3.394 ( 0.000 2.086 0.000) 2.086 3.451 ( 0.000 18.516 0.000) 18.516 4.144 ( 0.000 -0.316 0.000) 0.316 4.316 ( 0.000 5.866 0.000) 5.866 4.436 ( 0.000 -1.667 0.000) 1.667 4.538 ( 0.000 -2.219 0.000) 2.219 5.023 ( 0.000 -10.145 0.000) 10.145 5.185 ( 0.000 -3.705 0.000) 3.705 5.228 ( 0.000 -0.399 0.000) 0.399 5.363 ( 0.000 -2.176 0.000) 2.176 5.445 ( 0.000 -7.057 0.000) 7.057 5.611 ( 0.000 -2.344 0.000) 2.344 5.772 ( 0.000 -3.934 0.000) 3.934 5.871 ( 0.000 0.302 0.000) 0.302 5.931 ( 0.000 -0.853 0.000) 0.853 5.961 ( 0.000 -9.367 0.000) 9.367 6.027 ( 0.000 -3.685 0.000) 3.685 6.240 ( 0.000 -5.515 0.000) 5.515 6.511 ( 0.000 5.012 0.000) 5.012 6.592 ( 0.000 -1.320 0.000) 1.320 6.629 ( 0.000 13.013 0.000) 13.013 6.836 ( 0.000 9.274 0.000) 9.274 6.857 ( 0.000 -3.195 0.000) 3.195 6.957 ( 0.000 -0.879 0.000) 0.879 7.007 ( 0.000 -4.853 0.000) 4.853 7.034 ( 0.000 -2.562 0.000) 2.562 7.045 ( 0.000 -4.578 0.000) 4.578 7.262 ( 0.000 4.305 0.000) 4.305 7.518 ( 0.000 1.251 0.000) 1.251 7.584 ( 0.000 -5.445 0.000) 5.445 7.611 ( 0.000 -5.939 0.000) 5.939 7.958 ( 0.000 -3.838 0.000) 3.838 8.202 ( 0.000 3.381 0.000) 3.381 8.337 ( 0.000 -2.121 0.000) 2.121 8.449 ( 0.000 2.015 0.000) 2.015 8.551 ( 0.000 -8.354 0.000) 8.354 8.599 ( 0.000 -10.990 0.000) 10.990 8.607 ( 0.000 -4.771 0.000) 4.771 8.722 ( 0.000 0.852 0.000) 0.852 8.835 ( 0.000 -1.959 0.000) 1.959 8.844 ( 0.000 -7.422 0.000) 7.422 9.032 ( 0.000 0.767 0.000) 0.767 9.120 ( 0.000 1.602 0.000) 1.602 9.174 ( 0.000 -2.034 0.000) 2.034 9.333 ( 0.000 5.395 0.000) 5.395 9.567 ( 0.000 -2.786 0.000) 2.786 9.641 ( 0.000 10.100 0.000) 10.100 9.664 ( 0.000 10.337 0.000) 10.337 9.807 ( 0.000 2.718 0.000) 2.718 9.960 ( 0.000 0.117 0.000) 0.117 10.161 ( 0.000 -0.355 0.000) 0.355 10.383 ( 0.000 6.939 0.000) 6.939 11.774 ( 0.000 -10.231 0.000) 10.231 12.153 ( 0.000 -14.053 0.000) 14.053 12.269 ( 0.000 2.222 0.000) 2.222 12.295 ( 0.000 -1.394 0.000) 1.394 12.370 ( 0.000 -4.218 0.000) 4.218 12.381 ( 0.000 -1.814 0.000) 1.814 ======================= Grid point 10 (7/70) ======================= q-point: ( 0.12 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( 18.861 15.202 0.000) 24.225 0.796 ( 20.145 17.904 0.000) 26.951 1.398 ( 27.367 38.223 0.000) 47.010 1.447 ( 7.403 12.200 0.000) 14.270 1.584 ( 10.607 23.876 0.000) 26.126 1.694 ( -5.570 -0.855 0.000) 5.635 2.165 ( -4.656 17.367 0.000) 17.981 2.586 ( 2.827 8.090 0.000) 8.570 2.617 ( -2.374 7.906 0.000) 8.255 2.650 ( -0.525 7.978 0.000) 7.995 2.784 ( 10.998 10.335 0.000) 15.092 3.060 ( 1.636 7.173 0.000) 7.357 3.173 ( -1.564 15.931 0.000) 16.007 3.176 ( -9.397 3.865 0.000) 10.161 3.400 ( -4.207 18.878 0.000) 19.341 3.485 ( 0.887 2.566 0.000) 2.715 4.017 ( -10.748 1.343 0.000) 10.832 4.204 ( -8.329 -1.959 0.000) 8.557 4.379 ( 4.180 3.648 0.000) 5.548 4.788 ( -16.944 -4.422 0.000) 17.511 4.813 ( 12.308 -2.466 0.000) 12.553 5.045 ( -10.509 -2.713 0.000) 10.853 5.252 ( -0.188 -3.421 0.000) 3.426 5.285 ( -11.080 -7.174 0.000) 13.200 5.503 ( 4.041 -6.645 0.000) 7.777 5.650 ( 3.233 -4.317 0.000) 5.394 5.712 ( -4.983 -3.786 0.000) 6.258 5.862 ( -0.722 0.586 0.000) 0.930 5.957 ( 1.672 0.543 0.000) 1.758 5.962 ( -0.895 -6.052 0.000) 6.118 6.041 ( 1.811 -4.119 0.000) 4.500 6.155 ( -8.664 -6.475 0.000) 10.817 6.499 ( -6.740 11.726 0.000) 13.525 6.512 ( 0.351 3.614 0.000) 3.631 6.639 ( -18.287 11.501 0.000) 21.603 6.693 ( 4.841 -1.248 0.000) 4.999 6.816 ( 1.949 5.045 0.000) 5.409 6.888 ( 1.381 1.274 0.000) 1.879 6.966 ( -3.442 -4.287 0.000) 5.498 6.968 ( -2.678 -1.516 0.000) 3.078 7.127 ( 4.459 -0.083 0.000) 4.459 7.247 ( -1.811 3.935 0.000) 4.331 7.529 ( 1.865 1.299 0.000) 2.273 7.607 ( 3.169 -8.861 0.000) 9.410 7.647 ( 5.463 -4.582 0.000) 7.130 7.969 ( 0.954 -3.718 0.000) 3.838 8.316 ( 3.697 -4.977 0.000) 6.200 8.375 ( 2.463 -4.908 0.000) 5.491 8.473 ( 2.753 2.381 0.000) 3.640 8.538 ( -4.291 -7.048 0.000) 8.251 8.594 ( -0.986 -8.438 0.000) 8.496 8.606 ( -0.049 -4.595 0.000) 4.596 8.711 ( 3.709 3.921 0.000) 5.397 8.795 ( -4.181 0.327 0.000) 4.194 8.829 ( 0.769 -2.409 0.000) 2.529 9.072 ( -7.482 9.072 0.000) 11.759 9.136 ( -2.868 -3.550 0.000) 4.563 9.138 ( 5.224 -1.756 0.000) 5.511 9.211 ( 5.974 -4.101 0.000) 7.247 9.615 ( -1.471 7.262 0.000) 7.409 9.717 ( 7.564 6.939 0.000) 10.264 9.723 ( 5.600 11.945 0.000) 13.193 9.812 ( 0.735 2.390 0.000) 2.501 10.013 ( 5.135 0.312 0.000) 5.144 10.164 ( -1.019 0.685 0.000) 1.228 10.399 ( 1.467 5.620 0.000) 5.808 11.644 ( -12.021 -8.803 0.000) 14.900 12.023 ( -11.429 -14.060 0.000) 18.119 12.292 ( 0.267 -1.631 0.000) 1.653 12.315 ( -1.560 -2.023 0.000) 2.554 12.421 ( 3.245 -2.253 0.000) 3.951 12.439 ( 7.470 -5.977 0.000) 9.567 ======================= Grid point 11 (8/70) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 21.900 8.446 0.000) 23.472 1.234 ( 22.365 12.665 0.000) 25.702 1.601 ( 0.115 4.451 0.000) 4.453 1.657 ( 12.409 11.058 0.000) 16.621 1.826 ( 12.240 18.658 0.000) 22.315 2.014 ( 24.189 18.548 0.000) 30.482 2.163 ( 7.766 19.972 0.000) 21.429 2.542 ( -5.469 9.631 0.000) 11.076 2.582 ( -2.143 5.537 0.000) 5.937 2.640 ( -0.005 7.015 0.000) 7.015 2.942 ( -3.845 12.146 0.000) 12.740 3.035 ( -4.725 12.435 0.000) 13.302 3.087 ( 7.837 2.167 0.000) 8.131 3.197 ( 4.752 10.732 0.000) 11.737 3.272 ( -8.402 17.505 0.000) 19.417 3.456 ( -0.503 1.699 0.000) 1.772 3.739 ( -16.512 1.667 0.000) 16.596 4.153 ( 0.145 -1.162 0.000) 1.171 4.416 ( -11.106 0.970 0.000) 11.148 4.481 ( -3.591 -0.303 0.000) 3.604 4.725 ( -12.469 -0.976 0.000) 12.507 5.011 ( -14.530 -4.076 0.000) 15.091 5.088 ( 9.669 -4.069 0.000) 10.491 5.219 ( -2.975 -1.768 0.000) 3.461 5.494 ( -4.382 -9.944 0.000) 10.867 5.618 ( -4.138 -1.674 0.000) 4.464 5.697 ( 0.596 -5.376 0.000) 5.409 5.818 ( -6.671 -3.429 0.000) 7.500 5.924 ( -2.188 -4.311 0.000) 4.834 5.927 ( -7.041 -0.238 0.000) 7.045 6.002 ( 0.185 2.361 0.000) 2.368 6.078 ( 1.159 -0.291 0.000) 1.195 6.391 ( -3.746 7.106 0.000) 8.033 6.398 ( -5.757 6.522 0.000) 8.699 6.574 ( 4.089 -0.536 0.000) 4.124 6.769 ( 1.738 -4.656 0.000) 4.970 6.866 ( 0.678 1.788 0.000) 1.912 6.902 ( -2.282 -0.175 0.000) 2.289 6.935 ( 1.746 1.983 0.000) 2.642 6.957 ( 4.609 0.192 0.000) 4.613 7.150 ( -1.822 0.071 0.000) 1.823 7.210 ( -1.709 1.614 0.000) 2.351 7.609 ( 5.718 -0.007 0.000) 5.718 7.699 ( 4.976 -9.289 0.000) 10.538 7.773 ( 6.538 -2.960 0.000) 7.177 7.987 ( 0.624 -2.423 0.000) 2.502 8.314 ( -2.220 -1.273 0.000) 2.559 8.403 ( 0.058 -5.794 0.000) 5.794 8.443 ( -3.174 -7.001 0.000) 7.687 8.492 ( -6.104 -3.871 0.000) 7.228 8.575 ( 4.856 -1.161 0.000) 4.993 8.603 ( 0.167 -3.527 0.000) 3.531 8.705 ( -3.549 2.285 0.000) 4.221 8.817 ( 2.131 -2.673 0.000) 3.418 8.902 ( 3.993 1.106 0.000) 4.143 8.995 ( -1.350 8.375 0.000) 8.483 9.112 ( 3.341 -1.553 0.000) 3.684 9.253 ( 4.422 -10.077 0.000) 11.004 9.312 ( 4.009 -9.070 0.000) 9.916 9.585 ( -1.736 5.776 0.000) 6.031 9.817 ( 2.893 4.649 0.000) 5.476 9.858 ( 6.454 12.255 0.000) 13.851 9.877 ( 5.585 10.289 0.000) 11.707 10.126 ( -2.201 1.100 0.000) 2.461 10.172 ( 11.251 -0.183 0.000) 11.252 10.437 ( 2.269 3.313 0.000) 4.015 11.337 ( -17.775 -7.243 0.000) 19.194 11.682 ( -20.843 -10.230 0.000) 23.218 12.314 ( 1.886 -2.148 0.000) 2.858 12.331 ( 2.376 -2.668 0.000) 3.573 12.489 ( 3.243 -3.348 0.000) 4.661 12.541 ( 2.923 -6.064 0.000) 6.732 ======================= Grid point 12 (9/70) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 20.124 4.385 0.000) 20.597 1.632 ( 14.258 6.743 0.000) 15.772 1.729 ( 14.091 10.010 0.000) 17.285 1.879 ( 7.732 8.164 0.000) 11.245 2.028 ( 7.354 17.770 0.000) 19.231 2.137 ( 1.167 16.238 0.000) 16.279 2.376 ( -9.669 6.455 0.000) 11.625 2.390 ( -9.818 12.631 0.000) 15.999 2.611 ( 10.693 6.213 0.000) 12.367 2.671 ( 3.717 6.701 0.000) 7.663 2.913 ( -6.520 11.991 0.000) 13.649 2.920 ( 6.364 16.283 0.000) 17.483 3.070 ( -10.919 14.768 0.000) 18.366 3.325 ( 14.445 1.637 0.000) 14.537 3.350 ( 10.755 7.859 0.000) 13.320 3.399 ( -16.097 3.027 0.000) 16.379 3.583 ( 14.381 2.625 0.000) 14.618 4.009 ( -15.328 -0.137 0.000) 15.328 4.057 ( -19.410 -0.278 0.000) 19.412 4.424 ( -11.839 0.962 0.000) 11.878 4.656 ( 5.476 -1.309 0.000) 5.630 4.782 ( -4.885 -1.257 0.000) 5.045 5.156 ( -2.289 -0.481 0.000) 2.339 5.264 ( 7.859 -3.981 0.000) 8.810 5.386 ( -7.254 -6.168 0.000) 9.522 5.505 ( -6.886 -3.649 0.000) 7.793 5.620 ( -6.995 -3.674 0.000) 7.901 5.659 ( -3.947 -4.837 0.000) 6.243 5.879 ( -0.335 0.971 0.000) 1.027 5.895 ( -0.814 -2.238 0.000) 2.382 6.027 ( 1.571 4.298 0.000) 4.576 6.082 ( -0.653 3.261 0.000) 3.325 6.337 ( -1.115 1.534 0.000) 1.896 6.345 ( -1.190 2.699 0.000) 2.950 6.657 ( 3.340 -3.479 0.000) 4.823 6.743 ( -2.571 -3.839 0.000) 4.620 6.872 ( 0.411 3.264 0.000) 3.290 6.916 ( 2.766 1.951 0.000) 3.385 6.982 ( 2.377 0.522 0.000) 2.434 7.054 ( 3.447 0.306 0.000) 3.460 7.086 ( -3.159 -0.139 0.000) 3.162 7.177 ( -1.803 0.013 0.000) 1.803 7.725 ( 5.065 -3.126 0.000) 5.952 7.779 ( 2.621 -7.930 0.000) 8.352 7.892 ( 4.962 -1.035 0.000) 5.069 7.989 ( -0.501 -0.277 0.000) 0.572 8.275 ( -1.005 -0.407 0.000) 1.084 8.357 ( -4.295 -0.124 0.000) 4.296 8.402 ( -1.038 -8.604 0.000) 8.666 8.415 ( -1.382 -10.322 0.000) 10.414 8.609 ( 0.314 -1.946 0.000) 1.972 8.622 ( -0.554 -2.883 0.000) 2.936 8.707 ( 3.922 0.501 0.000) 3.954 8.843 ( 0.981 1.447 0.000) 1.748 8.890 ( -2.585 -3.545 0.000) 4.388 8.969 ( -1.918 7.564 0.000) 7.804 9.246 ( 6.033 -3.789 0.000) 7.124 9.309 ( 1.367 -13.296 0.000) 13.366 9.389 ( 4.224 -4.831 0.000) 6.417 9.539 ( -2.880 5.360 0.000) 6.085 9.901 ( 5.871 0.219 0.000) 5.875 9.961 ( 3.533 13.136 0.000) 13.603 9.962 ( 2.823 12.180 0.000) 12.502 10.085 ( -2.083 0.306 0.000) 2.106 10.458 ( 15.833 -0.125 0.000) 15.833 10.499 ( 5.420 0.820 0.000) 5.482 10.964 ( -18.507 -5.225 0.000) 19.231 11.249 ( -21.590 -5.536 0.000) 22.289 12.359 ( 2.270 -2.828 0.000) 3.627 12.380 ( 1.908 -3.544 0.000) 4.025 12.541 ( 1.853 -4.352 0.000) 4.730 12.569 ( 0.275 -5.434 0.000) 5.441 ======================= Grid point 13 (10/70) ======================= q-point: (-0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( -1.448 3.483 0.000) 3.772 1.809 ( 1.448 3.483 0.000) 3.772 1.962 ( -1.401 4.253 0.000) 4.478 1.962 ( 1.401 4.253 0.000) 4.478 2.124 ( -2.721 17.272 0.000) 17.485 2.124 ( 2.721 17.272 0.000) 17.485 2.192 ( -3.863 15.461 0.000) 15.936 2.192 ( 3.863 15.461 0.000) 15.936 2.740 ( -2.272 7.453 0.000) 7.791 2.740 ( 2.272 7.453 0.000) 7.791 2.862 ( -6.500 11.712 0.000) 13.395 2.862 ( 6.500 11.712 0.000) 13.395 3.123 ( -11.586 7.328 0.000) 13.709 3.123 ( 11.586 7.328 0.000) 13.709 3.591 ( -2.636 2.016 0.000) 3.319 3.591 ( 2.636 2.016 0.000) 3.319 3.720 ( -3.680 2.635 0.000) 4.526 3.720 ( 3.680 2.635 0.000) 4.526 4.012 ( -24.684 2.589 0.000) 24.819 4.012 ( 24.684 2.589 0.000) 24.819 4.761 ( -1.858 -1.949 0.000) 2.693 4.761 ( 1.858 -1.949 0.000) 2.693 5.196 ( -7.677 -1.414 0.000) 7.806 5.196 ( 7.677 -1.414 0.000) 7.806 5.401 ( -5.569 -3.421 0.000) 6.536 5.401 ( 5.569 -3.421 0.000) 6.536 5.581 ( -2.434 -4.960 0.000) 5.525 5.581 ( 2.434 -4.960 0.000) 5.525 5.882 ( -0.506 -0.117 0.000) 0.520 5.882 ( 0.506 -0.117 0.000) 0.520 6.059 ( -1.492 4.508 0.000) 4.749 6.059 ( 1.492 4.508 0.000) 4.749 6.332 ( -0.266 0.695 0.000) 0.744 6.332 ( 0.266 0.695 0.000) 0.744 6.701 ( -1.658 -3.226 0.000) 3.627 6.701 ( 1.658 -3.226 0.000) 3.627 6.916 ( -2.671 3.477 0.000) 4.385 6.916 ( 2.671 3.477 0.000) 4.385 7.022 ( -1.791 -0.817 0.000) 1.968 7.022 ( 1.791 -0.817 0.000) 1.968 7.130 ( -2.955 -0.187 0.000) 2.961 7.130 ( 2.955 -0.187 0.000) 2.961 7.792 ( -1.432 -5.792 0.000) 5.967 7.792 ( 1.432 -5.792 0.000) 5.967 7.963 ( -2.258 0.277 0.000) 2.275 7.963 ( 2.258 0.277 0.000) 2.275 8.287 ( -2.236 -1.261 0.000) 2.567 8.287 ( 2.236 -1.261 0.000) 2.567 8.397 ( -0.468 -9.572 0.000) 9.583 8.397 ( 0.468 -9.572 0.000) 9.583 8.612 ( -0.152 -2.086 0.000) 2.091 8.612 ( 0.152 -2.086 0.000) 2.091 8.795 ( -4.344 -1.316 0.000) 4.539 8.795 ( 4.344 -1.316 0.000) 4.539 8.913 ( -3.292 4.412 0.000) 5.505 8.913 ( 3.292 4.412 0.000) 5.505 9.311 ( -1.190 -12.561 0.000) 12.617 9.311 ( 1.190 -12.561 0.000) 12.617 9.473 ( -3.728 3.831 0.000) 5.345 9.473 ( 3.728 3.831 0.000) 5.345 9.994 ( -0.194 12.382 0.000) 12.384 9.994 ( 0.194 12.382 0.000) 12.384 10.022 ( -4.866 -0.658 0.000) 4.911 10.022 ( 4.866 -0.658 0.000) 4.911 10.647 ( -11.985 -1.323 0.000) 12.058 10.647 ( 11.985 -1.323 0.000) 12.058 10.834 ( -19.741 -2.728 0.000) 19.928 10.834 ( 19.741 -2.728 0.000) 19.928 12.392 ( -0.734 -3.501 0.000) 3.577 12.392 ( 0.734 -3.501 0.000) 3.577 12.564 ( -0.618 -4.906 0.000) 4.944 12.564 ( 0.618 -4.906 0.000) 4.944 ======================= Grid point 18 (11/70) ======================= q-point: ( 0.00 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 0.000 23.621 0.000) 23.621 1.113 ( 0.000 28.220 0.000) 28.220 1.659 ( 0.000 17.087 0.000) 17.087 1.773 ( 0.000 4.664 0.000) 4.664 2.093 ( 0.000 28.230 0.000) 28.230 2.103 ( 0.000 46.796 0.000) 46.796 2.462 ( 0.000 4.054 0.000) 4.054 2.811 ( 0.000 24.686 0.000) 24.686 2.843 ( 0.000 10.993 0.000) 10.993 2.878 ( 0.000 13.232 0.000) 13.232 3.009 ( 0.000 12.338 0.000) 12.338 3.278 ( 0.000 18.025 0.000) 18.025 3.443 ( 0.000 6.498 0.000) 6.498 3.516 ( 0.000 11.721 0.000) 11.721 3.599 ( 0.000 21.040 0.000) 21.040 3.961 ( 0.000 28.542 0.000) 28.542 4.143 ( 0.000 0.470 0.000) 0.470 4.395 ( 0.000 -1.992 0.000) 1.992 4.485 ( 0.000 -2.470 0.000) 2.470 4.510 ( 0.000 13.458 0.000) 13.458 4.811 ( 0.000 -10.151 0.000) 10.151 5.078 ( 0.000 -6.633 0.000) 6.633 5.216 ( 0.000 -0.750 0.000) 0.750 5.290 ( 0.000 -4.991 0.000) 4.991 5.299 ( 0.000 -6.899 0.000) 6.899 5.537 ( 0.000 -4.927 0.000) 4.927 5.679 ( 0.000 -5.111 0.000) 5.111 5.760 ( 0.000 -9.697 0.000) 9.697 5.822 ( 0.000 -4.844 0.000) 4.844 5.885 ( 0.000 -3.310 0.000) 3.310 5.926 ( 0.000 -5.741 0.000) 5.741 6.081 ( 0.000 -9.544 0.000) 9.544 6.537 ( 0.000 -4.436 0.000) 4.436 6.573 ( 0.000 0.409 0.000) 0.409 6.663 ( 0.000 -12.368 0.000) 12.368 6.756 ( 0.000 -4.080 0.000) 4.080 6.871 ( 0.000 -7.935 0.000) 7.935 6.903 ( 0.000 -8.691 0.000) 8.691 7.024 ( 0.000 9.581 0.000) 9.581 7.070 ( 0.000 8.118 0.000) 8.118 7.124 ( 0.000 11.534 0.000) 11.534 7.339 ( 0.000 3.255 0.000) 3.255 7.474 ( 0.000 -4.747 0.000) 4.747 7.509 ( 0.000 -3.353 0.000) 3.353 7.554 ( 0.000 2.466 0.000) 2.466 7.867 ( 0.000 -4.859 0.000) 4.859 8.261 ( 0.000 -5.408 0.000) 5.408 8.271 ( 0.000 3.159 0.000) 3.159 8.288 ( 0.000 -13.852 0.000) 13.852 8.324 ( 0.000 -10.459 0.000) 10.459 8.438 ( 0.000 -7.227 0.000) 7.227 8.505 ( 0.000 -4.368 0.000) 4.368 8.569 ( 0.000 -13.272 0.000) 13.272 8.878 ( 0.000 6.142 0.000) 6.142 8.881 ( 0.000 7.339 0.000) 7.339 9.059 ( 0.000 1.977 0.000) 1.977 9.167 ( 0.000 2.799 0.000) 2.799 9.168 ( 0.000 0.431 0.000) 0.431 9.453 ( 0.000 5.161 0.000) 5.161 9.480 ( 0.000 -5.699 0.000) 5.699 9.820 ( 0.000 3.337 0.000) 3.337 9.837 ( 0.000 8.401 0.000) 8.401 9.893 ( 0.000 6.337 0.000) 6.337 9.960 ( 0.000 -0.111 0.000) 0.111 10.154 ( 0.000 -0.223 0.000) 0.223 10.492 ( 0.000 1.962 0.000) 1.962 11.509 ( 0.000 -15.167 0.000) 15.167 11.739 ( 0.000 -24.405 0.000) 24.405 12.275 ( 0.000 -0.269 0.000) 0.269 12.292 ( 0.000 -3.816 0.000) 3.816 12.293 ( 0.000 -0.110 0.000) 0.110 12.329 ( 0.000 -3.163 0.000) 3.163 ======================= Grid point 19 (12/70) ======================= q-point: ( 0.12 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 11.455 20.488 0.000) 23.472 1.223 ( 10.801 23.326 0.000) 25.705 1.715 ( 5.621 15.626 0.000) 16.606 1.755 ( -0.989 7.501 0.000) 7.565 2.163 ( 6.572 27.017 0.000) 27.804 2.255 ( 12.596 38.818 0.000) 40.811 2.464 ( 2.444 12.426 0.000) 12.664 2.826 ( -1.694 16.395 0.000) 16.483 2.826 ( -1.444 11.667 0.000) 11.756 2.866 ( -1.358 12.671 0.000) 12.744 3.024 ( 3.587 10.224 0.000) 10.835 3.311 ( 2.781 17.883 0.000) 18.098 3.359 ( -3.747 14.002 0.000) 14.495 3.573 ( -2.607 20.605 0.000) 20.770 3.583 ( 0.846 8.966 0.000) 9.006 3.896 ( -6.345 26.426 0.000) 27.177 4.057 ( -8.497 2.744 0.000) 8.929 4.175 ( -7.565 0.175 0.000) 7.567 4.514 ( 0.424 10.083 0.000) 10.091 4.676 ( -11.598 -6.228 0.000) 13.164 4.744 ( 12.903 -4.029 0.000) 13.517 4.998 ( -10.729 -2.383 0.000) 10.990 5.129 ( -9.922 -7.481 0.000) 12.426 5.173 ( -0.042 -4.146 0.000) 4.147 5.344 ( -1.736 -8.190 0.000) 8.372 5.544 ( 0.800 -6.021 0.000) 6.074 5.645 ( -2.065 -3.117 0.000) 3.739 5.813 ( 2.533 -7.976 0.000) 8.368 5.844 ( -1.145 -2.229 0.000) 2.506 5.919 ( 4.068 -5.372 0.000) 6.739 5.928 ( 1.494 -6.552 0.000) 6.720 6.000 ( -6.588 -7.529 0.000) 10.004 6.548 ( -0.811 -1.603 0.000) 1.796 6.562 ( 1.200 -5.197 0.000) 5.334 6.656 ( -4.083 -5.423 0.000) 6.788 6.724 ( -5.103 1.482 0.000) 5.313 6.825 ( 0.024 -6.894 0.000) 6.894 6.864 ( -1.689 -4.832 0.000) 5.119 6.983 ( -2.545 8.486 0.000) 8.860 7.017 ( -4.118 6.365 0.000) 7.581 7.151 ( 1.575 3.130 0.000) 3.504 7.316 ( -2.409 2.272 0.000) 3.311 7.468 ( -0.329 -3.785 0.000) 3.799 7.551 ( 5.096 -4.344 0.000) 6.697 7.575 ( 3.268 3.172 0.000) 4.554 7.881 ( 1.318 -4.561 0.000) 4.748 8.203 ( -1.235 -10.493 0.000) 10.565 8.221 ( -1.241 -5.592 0.000) 5.728 8.392 ( 1.880 -4.528 0.000) 4.903 8.410 ( 5.332 -10.029 0.000) 11.358 8.488 ( 3.690 -3.440 0.000) 5.044 8.519 ( 1.494 -3.676 0.000) 3.968 8.634 ( 4.607 -8.894 0.000) 10.016 8.828 ( -4.038 4.389 0.000) 5.964 8.869 ( 0.875 6.011 0.000) 6.075 9.073 ( -0.723 0.346 0.000) 0.802 9.112 ( -4.541 0.154 0.000) 4.544 9.181 ( 1.128 0.538 0.000) 1.250 9.260 ( -5.605 4.513 0.000) 7.196 9.688 ( 4.899 0.155 0.000) 4.901 9.852 ( 1.239 1.164 0.000) 1.700 9.862 ( 6.013 6.709 0.000) 9.009 9.928 ( 5.438 7.528 0.000) 9.287 10.020 ( 5.147 0.435 0.000) 5.165 10.163 ( 0.017 -0.554 0.000) 0.555 10.490 ( -0.147 1.716 0.000) 1.723 11.407 ( -10.077 -13.998 0.000) 17.248 11.636 ( -9.296 -22.345 0.000) 24.202 12.260 ( -0.524 -1.132 0.000) 1.247 12.271 ( -0.770 -2.455 0.000) 2.573 12.345 ( 3.354 -3.906 0.000) 5.148 12.360 ( 2.248 -3.377 0.000) 4.057 ======================= Grid point 20 (13/70) ======================= q-point: ( 0.25 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( 16.479 15.066 0.000) 22.328 1.516 ( 17.189 15.323 0.000) 23.027 1.779 ( 4.425 12.267 0.000) 13.040 1.878 ( 10.105 12.555 0.000) 16.116 2.329 ( 9.248 24.888 0.000) 26.550 2.415 ( 3.633 14.147 0.000) 14.606 2.667 ( 9.421 24.512 0.000) 26.260 2.727 ( -2.048 14.874 0.000) 15.015 2.788 ( -2.804 13.456 0.000) 13.745 2.826 ( -1.944 11.106 0.000) 11.275 3.158 ( 8.520 5.848 0.000) 10.334 3.321 ( -0.135 19.984 0.000) 19.985 3.337 ( -3.192 15.982 0.000) 16.298 3.514 ( -0.996 17.338 0.000) 17.367 3.539 ( -1.161 9.405 0.000) 9.476 3.712 ( -12.116 22.078 0.000) 25.184 3.828 ( -13.027 8.910 0.000) 15.783 4.142 ( 0.998 1.577 0.000) 1.866 4.397 ( -16.100 -2.860 0.000) 16.352 4.524 ( 0.106 4.394 0.000) 4.395 4.723 ( -11.623 0.995 0.000) 11.665 4.919 ( -10.062 -4.114 0.000) 10.870 4.980 ( 9.374 -6.196 0.000) 11.236 5.179 ( -0.516 -1.915 0.000) 1.984 5.277 ( -3.501 -10.395 0.000) 10.968 5.564 ( 0.363 -7.332 0.000) 7.341 5.581 ( -5.221 -1.625 0.000) 5.468 5.720 ( -10.125 -6.059 0.000) 11.800 5.812 ( -0.637 -6.253 0.000) 6.286 5.908 ( -1.612 -1.770 0.000) 2.394 6.009 ( 4.990 -6.172 0.000) 7.936 6.014 ( 4.167 -1.755 0.000) 4.522 6.504 ( -6.257 1.803 0.000) 6.512 6.508 ( -7.549 2.667 0.000) 8.006 6.567 ( 2.273 -0.426 0.000) 2.313 6.666 ( 0.415 -3.560 0.000) 3.584 6.860 ( 0.064 -4.541 0.000) 4.541 6.867 ( 2.529 -5.013 0.000) 5.615 6.975 ( 0.246 2.552 0.000) 2.564 6.980 ( 2.479 3.875 0.000) 4.600 7.147 ( -2.115 0.270 0.000) 2.132 7.242 ( -4.315 1.262 0.000) 4.495 7.530 ( 4.999 -6.463 0.000) 8.170 7.616 ( 3.163 -0.804 0.000) 3.263 7.709 ( 7.581 -1.601 0.000) 7.748 7.917 ( 2.249 -3.654 0.000) 4.290 8.197 ( 0.190 -10.623 0.000) 10.625 8.213 ( 0.033 -7.327 0.000) 7.327 8.378 ( -3.199 0.758 0.000) 3.288 8.467 ( -0.613 -3.356 0.000) 3.411 8.521 ( -1.175 -3.103 0.000) 3.318 8.542 ( 1.521 -3.670 0.000) 3.973 8.691 ( 3.445 -6.746 0.000) 7.574 8.750 ( -3.101 1.857 0.000) 3.614 8.917 ( -2.033 0.222 0.000) 2.045 9.025 ( -1.824 -2.084 0.000) 2.770 9.081 ( 4.404 -2.195 0.000) 4.921 9.220 ( 4.066 -0.146 0.000) 4.069 9.222 ( -0.917 4.537 0.000) 4.628 9.689 ( -1.944 3.546 0.000) 4.044 9.864 ( 0.778 1.104 0.000) 1.351 10.037 ( 7.745 4.750 0.000) 9.085 10.080 ( 6.514 7.362 0.000) 9.830 10.143 ( -1.237 0.143 0.000) 1.245 10.160 ( 10.311 -1.108 0.000) 10.370 10.492 ( 0.536 0.994 0.000) 1.129 11.133 ( -16.187 -12.386 0.000) 20.382 11.395 ( -14.270 -16.787 0.000) 22.033 12.266 ( 0.992 -2.200 0.000) 2.414 12.273 ( 0.988 -2.810 0.000) 2.978 12.401 ( 1.677 -4.846 0.000) 5.128 12.403 ( 2.135 -6.831 0.000) 7.157 ======================= Grid point 21 (14/70) ======================= q-point: ( 0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( 16.063 10.442 0.000) 19.159 1.828 ( 11.706 12.148 0.000) 16.870 1.965 ( 13.495 12.501 0.000) 18.395 2.067 ( 6.788 11.256 0.000) 13.144 2.454 ( -1.863 5.750 0.000) 6.044 2.495 ( 6.076 23.422 0.000) 24.198 2.554 ( -3.732 18.271 0.000) 18.648 2.691 ( -6.940 15.465 0.000) 16.951 2.835 ( 3.971 9.191 0.000) 10.012 2.886 ( 4.179 18.328 0.000) 18.799 3.154 ( -11.547 8.372 0.000) 14.263 3.299 ( 3.087 14.079 0.000) 14.414 3.391 ( 3.150 8.165 0.000) 8.752 3.429 ( -9.077 16.939 0.000) 19.217 3.551 ( -3.338 14.912 0.000) 15.281 3.619 ( -0.727 16.331 0.000) 16.347 3.693 ( 16.314 10.261 0.000) 19.273 4.044 ( -18.001 -0.962 0.000) 18.027 4.062 ( -9.158 7.539 0.000) 11.862 4.453 ( -9.997 1.748 0.000) 10.149 4.639 ( 3.199 0.096 0.000) 3.201 4.769 ( -3.650 0.658 0.000) 3.708 5.108 ( 1.511 -5.291 0.000) 5.502 5.201 ( 5.666 -0.423 0.000) 5.682 5.230 ( -1.910 -7.900 0.000) 8.128 5.424 ( -8.282 -3.928 0.000) 9.166 5.523 ( -4.137 -7.989 0.000) 8.997 5.541 ( -7.156 -3.698 0.000) 8.054 5.835 ( 2.429 -3.578 0.000) 4.324 5.890 ( -0.554 -0.010 0.000) 0.554 6.082 ( 2.554 -0.286 0.000) 2.570 6.089 ( 2.620 -3.560 0.000) 4.420 6.395 ( -3.562 3.782 0.000) 5.195 6.399 ( -3.647 2.266 0.000) 4.294 6.625 ( 2.865 -0.350 0.000) 2.886 6.677 ( 0.088 -2.615 0.000) 2.617 6.874 ( 2.094 -3.599 0.000) 4.164 6.921 ( 3.060 -2.628 0.000) 4.034 6.993 ( 0.657 1.329 0.000) 1.483 7.039 ( 0.976 -0.850 0.000) 1.294 7.080 ( -2.774 -0.426 0.000) 2.807 7.163 ( -3.365 -1.541 0.000) 3.701 7.627 ( 4.136 -6.885 0.000) 8.032 7.672 ( 1.986 -3.195 0.000) 3.762 7.852 ( 6.521 -1.079 0.000) 6.609 7.963 ( 1.825 -1.266 0.000) 2.222 8.202 ( 0.243 -9.258 0.000) 9.261 8.213 ( -0.183 -7.038 0.000) 7.040 8.290 ( -4.450 0.182 0.000) 4.454 8.358 ( -6.892 0.144 0.000) 6.894 8.545 ( 1.468 -4.606 0.000) 4.834 8.553 ( -0.055 -3.694 0.000) 3.694 8.720 ( 0.085 -0.603 0.000) 0.609 8.777 ( 1.939 -6.180 0.000) 6.477 8.858 ( 1.210 -0.067 0.000) 1.212 9.026 ( 1.380 -3.634 0.000) 3.887 9.117 ( -1.070 -5.289 0.000) 5.396 9.162 ( -5.429 1.779 0.000) 5.713 9.394 ( 10.651 1.679 0.000) 10.782 9.641 ( -2.842 3.790 0.000) 4.737 9.901 ( 3.195 -0.321 0.000) 3.211 10.067 ( -2.693 -1.288 0.000) 2.985 10.164 ( 2.810 6.439 0.000) 7.026 10.188 ( 3.330 7.030 0.000) 7.779 10.426 ( 14.896 -2.587 0.000) 15.119 10.517 ( 2.311 -0.222 0.000) 2.321 10.809 ( -14.802 -9.682 0.000) 17.687 11.084 ( -16.444 -10.300 0.000) 19.403 12.292 ( 1.360 -3.218 0.000) 3.494 12.299 ( 1.261 -3.789 0.000) 3.994 12.426 ( 0.750 -6.431 0.000) 6.474 12.429 ( 0.571 -7.656 0.000) 7.677 ======================= Grid point 22 (15/70) ======================= q-point: (-0.50 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( -3.848 9.166 0.000) 9.941 1.944 ( 3.848 9.166 0.000) 9.941 2.113 ( -0.482 10.786 0.000) 10.797 2.113 ( 0.482 10.786 0.000) 10.797 2.478 ( -8.570 12.276 0.000) 14.971 2.478 ( 8.570 12.276 0.000) 14.971 2.568 ( -1.972 21.558 0.000) 21.648 2.568 ( 1.972 21.558 0.000) 21.648 2.936 ( -1.151 12.410 0.000) 12.463 2.936 ( 1.151 12.410 0.000) 12.463 3.085 ( -11.837 7.900 0.000) 14.231 3.085 ( 11.837 7.900 0.000) 14.231 3.405 ( -6.296 18.350 0.000) 19.401 3.405 ( 6.296 18.350 0.000) 19.401 3.639 ( -10.616 2.612 0.000) 10.932 3.639 ( 10.616 2.612 0.000) 10.932 3.829 ( -4.780 8.656 0.000) 9.888 3.829 ( 4.780 8.656 0.000) 9.888 4.130 ( -19.487 9.937 0.000) 21.874 4.130 ( 19.487 9.937 0.000) 21.874 4.726 ( -3.060 -0.928 0.000) 3.198 4.726 ( 3.060 -0.928 0.000) 3.198 5.148 ( -4.398 -3.128 0.000) 5.397 5.148 ( 4.398 -3.128 0.000) 5.397 5.330 ( -4.783 -3.164 0.000) 5.735 5.330 ( 4.783 -3.164 0.000) 5.735 5.452 ( -0.568 -6.758 0.000) 6.782 5.452 ( 0.568 -6.758 0.000) 6.782 5.875 ( -1.220 -0.807 0.000) 1.463 5.875 ( 1.220 -0.807 0.000) 1.463 6.112 ( -0.266 -1.088 0.000) 1.120 6.112 ( 0.266 -1.088 0.000) 1.121 6.361 ( -0.117 2.539 0.000) 2.542 6.361 ( 0.117 2.539 0.000) 2.542 6.666 ( -1.213 -0.659 0.000) 1.380 6.666 ( 1.213 -0.659 0.000) 1.380 6.950 ( -4.467 -1.125 0.000) 4.606 6.950 ( 4.467 -1.125 0.000) 4.606 6.983 ( -1.248 -1.942 0.000) 2.309 6.983 ( 1.248 -1.942 0.000) 2.309 7.108 ( -2.303 -2.093 0.000) 3.112 7.108 ( 2.303 -2.093 0.000) 3.112 7.681 ( -1.173 -5.716 0.000) 5.835 7.681 ( 1.173 -5.716 0.000) 5.835 7.956 ( -3.161 0.747 0.000) 3.248 7.956 ( 3.161 0.747 0.000) 3.248 8.207 ( -0.278 -7.570 0.000) 7.575 8.207 ( 0.278 -7.570 0.000) 7.575 8.257 ( -2.139 -2.206 0.000) 3.072 8.257 ( 2.139 -2.206 0.000) 3.072 8.555 ( -0.211 -3.291 0.000) 3.298 8.555 ( 0.211 -3.291 0.000) 3.298 8.744 ( -2.076 -3.844 0.000) 4.369 8.744 ( 2.076 -3.844 0.000) 4.369 8.994 ( -7.965 3.158 0.000) 8.568 8.994 ( 7.965 3.158 0.000) 8.568 9.083 ( -1.346 -7.938 0.000) 8.052 9.083 ( 1.346 -7.938 0.000) 8.052 9.562 ( -5.687 3.449 0.000) 6.651 9.562 ( 5.687 3.449 0.000) 6.651 9.989 ( -4.867 -2.238 0.000) 5.357 9.989 ( 4.867 -2.238 0.000) 5.357 10.206 ( -1.227 7.180 0.000) 7.284 10.206 ( 1.227 7.180 0.000) 7.284 10.589 ( -6.744 -4.590 0.000) 8.157 10.589 ( 6.744 -4.590 0.000) 8.157 10.751 ( -16.510 -5.344 0.000) 17.354 10.751 ( 16.510 -5.344 0.000) 17.354 12.310 ( -0.267 -3.942 0.000) 3.951 12.310 ( 0.267 -3.942 0.000) 3.951 12.433 ( -0.054 -7.368 0.000) 7.368 12.433 ( 0.054 -7.368 0.000) 7.368 ======================= Grid point 27 (16/70) ======================= q-point: ( 0.00 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 0.000 24.025 0.000) 24.025 1.693 ( 0.000 28.234 0.000) 28.234 1.944 ( 0.000 11.534 0.000) 11.534 2.058 ( 0.000 21.376 0.000) 21.376 2.526 ( 0.000 4.637 0.000) 4.637 2.563 ( 0.000 18.451 0.000) 18.451 3.020 ( 0.000 37.734 0.000) 37.734 3.068 ( 0.000 10.408 0.000) 10.408 3.162 ( 0.000 13.876 0.000) 13.876 3.180 ( 0.000 7.904 0.000) 7.904 3.247 ( 0.000 15.127 0.000) 15.127 3.650 ( 0.000 15.479 0.000) 15.479 3.755 ( 0.000 25.406 0.000) 25.406 3.854 ( 0.000 17.276 0.000) 17.276 3.977 ( 0.000 14.892 0.000) 14.892 4.177 ( 0.000 3.619 0.000) 3.619 4.307 ( 0.000 -1.310 0.000) 1.310 4.477 ( 0.000 3.582 0.000) 3.582 4.597 ( 0.000 26.644 0.000) 26.644 4.607 ( 0.000 -9.483 0.000) 9.483 4.866 ( 0.000 20.224 0.000) 20.224 4.916 ( 0.000 -9.210 0.000) 9.210 5.159 ( 0.000 -7.559 0.000) 7.559 5.172 ( 0.000 -5.254 0.000) 5.254 5.194 ( 0.000 -1.567 0.000) 1.567 5.410 ( 0.000 -7.330 0.000) 7.330 5.550 ( 0.000 -7.658 0.000) 7.658 5.575 ( 0.000 -8.073 0.000) 8.073 5.687 ( 0.000 -8.027 0.000) 8.027 5.803 ( 0.000 -6.242 0.000) 6.242 5.826 ( 0.000 -1.780 0.000) 1.780 5.866 ( 0.000 -11.052 0.000) 11.052 6.390 ( 0.000 -13.766 0.000) 13.766 6.409 ( 0.000 -7.538 0.000) 7.538 6.518 ( 0.000 -5.661 0.000) 5.661 6.570 ( 0.000 -11.804 0.000) 11.804 6.693 ( 0.000 -9.674 0.000) 9.674 6.733 ( 0.000 -6.767 0.000) 6.767 7.212 ( 0.000 3.823 0.000) 3.823 7.253 ( 0.000 7.742 0.000) 7.742 7.298 ( 0.000 7.399 0.000) 7.399 7.395 ( 0.000 -2.862 0.000) 2.862 7.422 ( 0.000 6.133 0.000) 6.133 7.471 ( 0.000 -0.613 0.000) 0.613 7.635 ( 0.000 5.204 0.000) 5.204 7.767 ( 0.000 -4.679 0.000) 4.679 8.045 ( 0.000 -9.176 0.000) 9.176 8.133 ( 0.000 -5.987 0.000) 5.987 8.138 ( 0.000 -7.233 0.000) 7.233 8.282 ( 0.000 -7.187 0.000) 7.187 8.313 ( 0.000 -10.921 0.000) 10.921 8.329 ( 0.000 2.609 0.000) 2.609 8.446 ( 0.000 -1.210 0.000) 1.210 9.002 ( 0.000 3.515 0.000) 3.515 9.017 ( 0.000 6.411 0.000) 6.411 9.111 ( 0.000 2.925 0.000) 2.925 9.191 ( 0.000 2.267 0.000) 2.267 9.229 ( 0.000 3.153 0.000) 3.153 9.341 ( 0.000 -7.492 0.000) 7.492 9.529 ( 0.000 2.333 0.000) 2.333 9.835 ( 0.000 -1.223 0.000) 1.223 9.951 ( 0.000 -0.993 0.000) 0.993 9.973 ( 0.000 4.674 0.000) 4.674 10.014 ( 0.000 4.613 0.000) 4.613 10.152 ( 0.000 -0.039 0.000) 0.039 10.442 ( 0.000 -6.304 0.000) 6.304 11.166 ( 0.000 -18.022 0.000) 18.022 11.212 ( 0.000 -25.946 0.000) 25.946 12.207 ( 0.000 -4.416 0.000) 4.416 12.256 ( 0.000 -3.767 0.000) 3.767 12.262 ( 0.000 -2.844 0.000) 2.844 12.280 ( 0.000 0.393 0.000) 0.393 ======================= Grid point 28 (17/70) ======================= q-point: ( 0.12 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 7.426 22.391 0.000) 23.591 1.730 ( 4.119 25.663 0.000) 25.992 1.972 ( 3.025 13.083 0.000) 13.429 2.085 ( 2.901 20.066 0.000) 20.275 2.541 ( 1.347 4.612 0.000) 4.804 2.614 ( 4.758 17.513 0.000) 18.148 3.064 ( -0.320 11.026 0.000) 11.030 3.072 ( -1.566 13.325 0.000) 13.417 3.127 ( 1.283 27.922 0.000) 27.951 3.152 ( -1.107 14.539 0.000) 14.581 3.274 ( 3.488 15.550 0.000) 15.937 3.640 ( -2.373 14.447 0.000) 14.640 3.745 ( -2.171 19.927 0.000) 20.045 3.892 ( 3.085 15.270 0.000) 15.578 3.937 ( -4.281 15.442 0.000) 16.024 4.147 ( -1.812 6.484 0.000) 6.733 4.164 ( -7.215 7.735 0.000) 10.578 4.474 ( -7.875 20.274 0.000) 21.750 4.533 ( -7.161 -6.925 0.000) 9.962 4.667 ( 9.556 -2.332 0.000) 9.836 4.797 ( -7.558 15.029 0.000) 16.822 4.947 ( -2.523 -1.040 0.000) 2.728 4.999 ( -7.109 -3.821 0.000) 8.071 5.099 ( -2.355 -2.682 0.000) 3.569 5.183 ( -4.426 -7.245 0.000) 8.490 5.413 ( -0.163 -6.378 0.000) 6.380 5.564 ( 1.629 -5.367 0.000) 5.608 5.641 ( 4.180 -8.679 0.000) 9.633 5.738 ( -2.720 -9.584 0.000) 9.962 5.788 ( -0.307 -6.929 0.000) 6.936 5.792 ( 1.935 -3.107 0.000) 3.661 5.867 ( 0.933 -6.052 0.000) 6.123 6.395 ( 1.277 -11.150 0.000) 11.223 6.407 ( 0.208 -8.953 0.000) 8.956 6.556 ( 1.937 -5.766 0.000) 6.083 6.609 ( 3.569 -9.515 0.000) 10.163 6.702 ( 0.038 -7.246 0.000) 7.246 6.733 ( 0.328 -5.790 0.000) 5.799 7.125 ( -8.270 4.667 0.000) 9.496 7.164 ( -5.769 6.130 0.000) 8.417 7.274 ( -2.287 7.647 0.000) 7.982 7.325 ( -4.159 -0.886 0.000) 4.253 7.456 ( 3.722 -4.343 0.000) 5.720 7.461 ( -2.286 2.916 0.000) 3.705 7.666 ( 2.905 4.703 0.000) 5.528 7.785 ( 1.778 -4.974 0.000) 5.282 8.003 ( -1.202 -8.149 0.000) 8.237 8.115 ( -1.621 -3.804 0.000) 4.135 8.200 ( 5.466 -8.979 0.000) 10.512 8.281 ( 4.414 -5.639 0.000) 7.161 8.450 ( 4.726 -0.086 0.000) 4.726 8.465 ( 2.941 -1.526 0.000) 3.313 8.478 ( 10.316 -5.958 0.000) 11.913 8.933 ( -6.945 4.909 0.000) 8.504 8.976 ( -2.200 3.537 0.000) 4.166 9.103 ( -6.618 -0.116 0.000) 6.619 9.104 ( -2.365 2.003 0.000) 3.099 9.236 ( 0.134 4.005 0.000) 4.007 9.295 ( -0.863 -0.578 0.000) 1.039 9.661 ( 7.851 -2.126 0.000) 8.133 9.849 ( 0.893 -1.599 0.000) 1.832 9.962 ( 0.836 2.793 0.000) 2.915 9.997 ( 4.464 -0.433 0.000) 4.485 10.056 ( 4.101 2.471 0.000) 4.788 10.149 ( -0.871 -0.791 0.000) 1.176 10.446 ( 0.363 -5.560 0.000) 5.572 11.075 ( -8.797 -18.560 0.000) 20.539 11.164 ( -4.566 -22.207 0.000) 22.671 12.207 ( 0.096 -3.740 0.000) 3.742 12.239 ( -0.902 -1.670 0.000) 1.898 12.265 ( 0.295 -3.980 0.000) 3.990 12.296 ( 0.814 -2.365 0.000) 2.501 ======================= Grid point 29 (18/70) ======================= q-point: ( 0.25 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( 11.831 18.757 0.000) 22.176 1.872 ( 10.083 19.298 0.000) 21.773 2.075 ( 7.484 15.952 0.000) 17.620 2.184 ( 7.060 16.995 0.000) 18.403 2.563 ( 0.153 3.872 0.000) 3.875 2.732 ( 6.259 14.314 0.000) 15.622 2.971 ( -4.319 11.764 0.000) 12.532 3.056 ( -0.482 12.092 0.000) 12.102 3.115 ( -2.601 16.552 0.000) 16.755 3.188 ( 1.821 13.887 0.000) 14.006 3.405 ( 6.459 21.543 0.000) 22.490 3.574 ( -1.458 9.524 0.000) 9.635 3.576 ( -14.433 6.354 0.000) 15.770 3.889 ( 0.901 20.013 0.000) 20.033 3.901 ( -5.994 9.314 0.000) 11.076 4.058 ( -2.974 22.948 0.000) 23.140 4.101 ( -4.847 12.858 0.000) 13.741 4.325 ( -13.173 -2.489 0.000) 13.406 4.345 ( -1.728 15.580 0.000) 15.675 4.605 ( -8.889 1.519 0.000) 9.018 4.761 ( -7.348 0.853 0.000) 7.398 4.862 ( 5.924 -2.823 0.000) 6.563 4.904 ( -3.624 4.264 0.000) 5.596 5.095 ( -2.424 -6.499 0.000) 6.936 5.160 ( 4.056 0.997 0.000) 4.177 5.407 ( -0.910 -7.637 0.000) 7.691 5.558 ( -3.014 -1.695 0.000) 3.458 5.581 ( -9.495 -5.809 0.000) 11.131 5.674 ( 0.908 -7.243 0.000) 7.300 5.851 ( 5.583 -8.657 0.000) 10.301 5.861 ( 1.793 -2.548 0.000) 3.116 5.923 ( 4.416 -6.718 0.000) 8.040 6.420 ( 0.667 -7.812 0.000) 7.841 6.442 ( 2.682 -7.554 0.000) 8.016 6.556 ( -1.175 -3.153 0.000) 3.365 6.650 ( -1.876 -1.042 0.000) 2.146 6.714 ( 3.844 -8.645 0.000) 9.462 6.747 ( 0.797 -4.226 0.000) 4.301 7.021 ( -1.572 0.583 0.000) 1.677 7.059 ( -2.582 5.010 0.000) 5.637 7.204 ( -4.839 4.284 0.000) 6.463 7.248 ( -5.328 -1.277 0.000) 5.479 7.442 ( 1.455 -1.290 0.000) 1.945 7.522 ( 2.715 -5.931 0.000) 6.523 7.750 ( 5.552 2.818 0.000) 6.226 7.838 ( 3.554 -5.003 0.000) 6.137 8.016 ( 2.060 -6.194 0.000) 6.527 8.107 ( 0.571 -1.923 0.000) 2.006 8.324 ( 6.298 -7.502 0.000) 9.796 8.386 ( 4.452 -2.287 0.000) 5.005 8.465 ( -2.826 -0.703 0.000) 2.912 8.496 ( -1.576 -0.400 0.000) 1.626 8.616 ( 3.234 -1.326 0.000) 3.495 8.781 ( -7.165 1.482 0.000) 7.316 8.914 ( -5.331 -0.727 0.000) 5.381 9.028 ( 1.399 -1.916 0.000) 2.372 9.035 ( -3.279 2.228 0.000) 3.964 9.265 ( 4.058 3.525 0.000) 5.376 9.297 ( -0.722 2.350 0.000) 2.458 9.720 ( -1.188 -0.456 0.000) 1.272 9.861 ( 0.597 -1.471 0.000) 1.588 10.055 ( 4.333 -2.794 0.000) 5.155 10.115 ( 5.834 -2.832 0.000) 6.485 10.121 ( 0.956 -2.233 0.000) 2.429 10.166 ( 7.542 0.476 0.000) 7.557 10.455 ( 0.516 -4.450 0.000) 4.479 10.844 ( -13.354 -15.343 0.000) 20.341 11.035 ( -8.169 -17.604 0.000) 19.407 12.215 ( 0.717 -2.966 0.000) 3.052 12.231 ( 0.100 -1.408 0.000) 1.411 12.272 ( 0.338 -5.751 0.000) 5.761 12.304 ( -0.034 -4.325 0.000) 4.325 ======================= Grid point 30 (19/70) ======================= q-point: ( 0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( 12.084 14.838 0.000) 19.136 2.100 ( 10.690 13.986 0.000) 17.603 2.263 ( 10.363 16.577 0.000) 19.550 2.343 ( 7.244 15.352 0.000) 16.975 2.531 ( -2.130 3.859 0.000) 4.408 2.809 ( -0.951 7.307 0.000) 7.369 2.939 ( 1.052 16.421 0.000) 16.455 3.038 ( -2.120 12.603 0.000) 12.780 3.071 ( 0.040 17.217 0.000) 17.217 3.212 ( 0.244 10.894 0.000) 10.897 3.292 ( -10.173 8.306 0.000) 13.133 3.445 ( 0.155 4.249 0.000) 4.252 3.611 ( -16.183 9.374 0.000) 18.702 3.649 ( 5.708 9.984 0.000) 11.501 3.888 ( -12.907 3.061 0.000) 13.265 3.937 ( -1.023 19.293 0.000) 19.320 4.074 ( -8.660 8.393 0.000) 12.060 4.114 ( 4.618 25.264 0.000) 25.683 4.346 ( -0.154 17.683 0.000) 17.683 4.492 ( -3.474 2.077 0.000) 4.048 4.674 ( 0.817 3.619 0.000) 3.710 4.823 ( -4.301 4.068 0.000) 5.920 4.984 ( 5.596 -5.340 0.000) 7.735 5.105 ( 2.559 -3.290 0.000) 4.168 5.235 ( 3.813 3.490 0.000) 5.169 5.353 ( -3.884 -7.969 0.000) 8.865 5.368 ( -10.500 -0.756 0.000) 10.527 5.476 ( -5.325 -2.315 0.000) 5.806 5.741 ( 5.119 -5.958 0.000) 7.855 5.874 ( -0.459 -1.644 0.000) 1.707 5.955 ( 4.187 -8.366 0.000) 9.355 5.995 ( 2.203 -7.516 0.000) 7.832 6.417 ( -0.666 -1.856 0.000) 1.972 6.452 ( -1.700 0.300 0.000) 1.726 6.567 ( 2.224 -6.488 0.000) 6.859 6.619 ( -0.715 -3.167 0.000) 3.246 6.785 ( 3.804 -2.957 0.000) 4.818 6.813 ( 5.794 -6.419 0.000) 8.647 7.025 ( 0.118 -1.336 0.000) 1.341 7.049 ( 0.358 3.229 0.000) 3.249 7.086 ( -5.900 1.416 0.000) 6.067 7.117 ( -7.114 -2.213 0.000) 7.450 7.497 ( 3.204 -4.860 0.000) 5.821 7.558 ( 0.710 -6.263 0.000) 6.303 7.882 ( 7.194 1.086 0.000) 7.276 7.928 ( 5.255 -4.192 0.000) 6.722 8.067 ( 2.747 -2.460 0.000) 3.687 8.121 ( 0.500 -0.348 0.000) 0.609 8.320 ( -8.537 2.397 0.000) 8.867 8.349 ( -9.106 -2.792 0.000) 9.525 8.444 ( 3.897 -2.255 0.000) 4.503 8.473 ( 2.236 -3.347 0.000) 4.025 8.681 ( -2.741 -2.057 0.000) 3.427 8.689 ( 1.130 -2.284 0.000) 2.548 8.844 ( 2.129 -1.231 0.000) 2.459 8.994 ( -0.868 0.956 0.000) 1.292 9.050 ( -0.297 -1.568 0.000) 1.596 9.220 ( -7.128 2.281 0.000) 7.484 9.418 ( 9.860 0.715 0.000) 9.886 9.677 ( -2.664 -0.379 0.000) 2.690 9.882 ( 1.606 -1.735 0.000) 2.364 10.013 ( -4.081 -3.944 0.000) 5.675 10.200 ( 3.373 -2.774 0.000) 4.367 10.238 ( 5.231 -2.338 0.000) 5.730 10.363 ( 10.869 -3.756 0.000) 11.499 10.465 ( 0.785 -4.831 0.000) 4.895 10.587 ( -10.942 -11.379 0.000) 15.786 10.843 ( -10.779 -12.692 0.000) 16.652 12.233 ( 0.887 -2.793 0.000) 2.931 12.239 ( 0.504 -1.973 0.000) 2.036 12.278 ( 0.280 -6.583 0.000) 6.589 12.297 ( -0.551 -5.702 0.000) 5.729 ======================= Grid point 31 (20/70) ======================= q-point: (-0.50 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( -5.829 12.166 0.000) 13.490 2.166 ( 5.829 12.166 0.000) 13.490 2.395 ( -2.450 15.910 0.000) 16.098 2.395 ( 2.450 15.910 0.000) 16.098 2.639 ( -12.471 5.606 0.000) 13.673 2.639 ( 12.471 5.606 0.000) 13.673 2.985 ( -2.797 16.970 0.000) 17.198 2.985 ( 2.797 16.970 0.000) 17.198 3.165 ( -6.566 4.653 0.000) 8.048 3.165 ( 6.566 4.653 0.000) 8.048 3.262 ( -7.701 14.539 0.000) 16.453 3.262 ( 7.701 14.539 0.000) 16.453 3.618 ( -10.991 1.936 0.000) 11.160 3.618 ( 10.991 1.936 0.000) 11.160 3.794 ( -8.906 11.112 0.000) 14.240 3.794 ( 8.906 11.112 0.000) 14.240 4.098 ( -5.015 16.840 0.000) 17.571 4.098 ( 5.015 16.840 0.000) 17.571 4.406 ( -5.378 14.556 0.000) 15.518 4.406 ( 5.378 14.556 0.000) 15.518 4.741 ( -4.044 2.543 0.000) 4.777 4.741 ( 4.044 2.543 0.000) 4.777 5.104 ( -5.603 0.488 0.000) 5.624 5.104 ( 5.603 0.488 0.000) 5.624 5.246 ( -1.283 -5.448 0.000) 5.597 5.246 ( 1.283 -5.448 0.000) 5.597 5.364 ( -5.280 -0.588 0.000) 5.312 5.364 ( 5.280 -0.588 0.000) 5.312 5.835 ( -3.573 -3.541 0.000) 5.030 5.835 ( 3.573 -3.541 0.000) 5.030 6.007 ( -0.982 -7.860 0.000) 7.922 6.007 ( 0.982 -7.860 0.000) 7.922 6.418 ( -1.057 1.586 0.000) 1.906 6.418 ( 1.057 1.586 0.000) 1.906 6.604 ( -1.170 -6.181 0.000) 6.291 6.604 ( 1.170 -6.181 0.000) 6.291 6.895 ( -4.614 -3.411 0.000) 5.738 6.895 ( 4.614 -3.411 0.000) 5.738 6.970 ( -4.543 -0.373 0.000) 4.558 6.970 ( 4.543 -0.373 0.000) 4.558 7.062 ( -0.282 -0.838 0.000) 0.884 7.062 ( 0.282 -0.838 0.000) 0.884 7.549 ( -1.631 -5.967 0.000) 6.186 7.549 ( 1.631 -5.967 0.000) 6.186 7.996 ( -1.550 -1.509 0.000) 2.163 7.996 ( 1.550 -1.509 0.000) 2.163 8.121 ( -1.923 3.049 0.000) 3.605 8.121 ( 1.923 3.049 0.000) 3.605 8.199 ( -1.657 -3.891 0.000) 4.229 8.199 ( 1.657 -3.891 0.000) 4.229 8.494 ( -0.512 -1.770 0.000) 1.843 8.494 ( 0.512 -1.770 0.000) 1.843 8.663 ( -0.912 -3.196 0.000) 3.324 8.663 ( 0.912 -3.196 0.000) 3.324 8.970 ( -4.460 -2.735 0.000) 5.231 8.970 ( 4.460 -2.735 0.000) 5.231 9.062 ( -4.865 2.354 0.000) 5.404 9.062 ( 4.865 2.354 0.000) 5.404 9.593 ( -6.543 -0.485 0.000) 6.561 9.593 ( 6.543 -0.485 0.000) 6.561 9.932 ( -3.519 -3.232 0.000) 4.778 9.932 ( 3.519 -3.232 0.000) 4.778 10.264 ( -2.445 -1.764 0.000) 3.014 10.264 ( 2.445 -1.764 0.000) 3.014 10.460 ( -1.808 -7.727 0.000) 7.936 10.460 ( 1.808 -7.727 0.000) 7.936 10.614 ( -11.794 -8.021 0.000) 14.263 10.614 ( 11.794 -8.021 0.000) 14.263 12.244 ( -0.110 -2.533 0.000) 2.535 12.244 ( 0.110 -2.533 0.000) 2.535 12.286 ( -0.515 -6.508 0.000) 6.528 12.286 ( 0.515 -6.508 0.000) 6.528 ======================= Grid point 36 (21/70) ======================= q-point: ( 0.00 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( 0.000 24.364 0.000) 24.364 2.213 ( 0.000 15.433 0.000) 15.433 2.273 ( 0.000 26.778 0.000) 26.778 2.516 ( 0.000 22.818 0.000) 22.818 2.620 ( 0.000 4.546 0.000) 4.546 2.902 ( 0.000 15.514 0.000) 15.514 3.255 ( 0.000 7.707 0.000) 7.707 3.261 ( 0.000 5.188 0.000) 5.188 3.424 ( 0.000 4.250 0.000) 4.250 3.426 ( 0.000 11.532 0.000) 11.532 3.768 ( 0.000 28.325 0.000) 28.325 4.046 ( 0.000 19.914 0.000) 19.914 4.076 ( 0.000 4.166 0.000) 4.166 4.079 ( 0.000 6.021 0.000) 6.021 4.203 ( 0.000 7.198 0.000) 7.198 4.241 ( 0.000 -6.492 0.000) 6.492 4.260 ( 0.000 -1.922 0.000) 1.922 4.609 ( 0.000 18.046 0.000) 18.046 4.688 ( 0.000 -2.067 0.000) 2.067 4.718 ( 0.000 7.696 0.000) 7.696 4.982 ( 0.000 -8.094 0.000) 8.094 5.063 ( 0.000 15.491 0.000) 15.491 5.090 ( 0.000 -2.441 0.000) 2.441 5.145 ( 0.000 -3.130 0.000) 3.130 5.232 ( 0.000 7.202 0.000) 7.202 5.252 ( 0.000 -7.493 0.000) 7.493 5.419 ( 0.000 0.412 0.000) 0.412 5.459 ( 0.000 -1.733 0.000) 1.733 5.506 ( 0.000 -9.113 0.000) 9.113 5.643 ( 0.000 -10.503 0.000) 10.503 5.664 ( 0.000 -7.513 0.000) 7.513 5.814 ( 0.000 0.296 0.000) 0.296 6.126 ( 0.000 -11.065 0.000) 11.065 6.262 ( 0.000 -6.339 0.000) 6.339 6.317 ( 0.000 -12.082 0.000) 12.082 6.371 ( 0.000 -7.744 0.000) 7.744 6.479 ( 0.000 -9.986 0.000) 9.986 6.647 ( 0.000 -1.599 0.000) 1.599 7.200 ( 0.000 -4.096 0.000) 4.096 7.225 ( 0.000 -6.324 0.000) 6.324 7.365 ( 0.000 0.154 0.000) 0.154 7.477 ( 0.000 1.068 0.000) 1.068 7.524 ( 0.000 10.648 0.000) 10.648 7.595 ( 0.000 9.352 0.000) 9.352 7.684 ( 0.000 -3.172 0.000) 3.172 7.701 ( 0.000 -0.102 0.000) 0.102 7.913 ( 0.000 -4.162 0.000) 4.162 8.028 ( 0.000 -3.680 0.000) 3.680 8.075 ( 0.000 1.158 0.000) 1.158 8.146 ( 0.000 -4.965 0.000) 4.965 8.168 ( 0.000 -3.425 0.000) 3.425 8.382 ( 0.000 2.545 0.000) 2.545 8.457 ( 0.000 2.304 0.000) 2.304 9.018 ( 0.000 -1.524 0.000) 1.524 9.125 ( 0.000 3.948 0.000) 3.948 9.127 ( 0.000 -4.540 0.000) 4.540 9.237 ( 0.000 1.028 0.000) 1.028 9.259 ( 0.000 3.836 0.000) 3.836 9.291 ( 0.000 2.872 0.000) 2.872 9.558 ( 0.000 0.792 0.000) 0.792 9.783 ( 0.000 -3.563 0.000) 3.563 9.907 ( 0.000 -3.613 0.000) 3.613 10.021 ( 0.000 -0.231 0.000) 0.231 10.078 ( 0.000 1.845 0.000) 1.845 10.150 ( 0.000 -0.255 0.000) 0.255 10.281 ( 0.000 -7.999 0.000) 7.999 10.713 ( 0.000 -21.735 0.000) 21.735 10.784 ( 0.000 -18.892 0.000) 18.892 12.115 ( 0.000 -4.404 0.000) 4.404 12.181 ( 0.000 -3.402 0.000) 3.402 12.184 ( 0.000 -4.541 0.000) 4.541 12.273 ( 0.000 -1.380 0.000) 1.380 ======================= Grid point 37 (22/70) ======================= q-point: ( 0.12 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( 4.783 23.134 0.000) 23.623 2.257 ( 3.037 20.821 0.000) 21.042 2.270 ( 1.591 19.977 0.000) 20.040 2.516 ( 0.350 21.362 0.000) 21.365 2.630 ( 0.911 4.392 0.000) 4.485 2.932 ( 2.625 14.579 0.000) 14.813 3.208 ( -3.941 5.818 0.000) 7.027 3.264 ( 0.746 8.315 0.000) 8.349 3.406 ( -2.116 4.651 0.000) 5.110 3.431 ( 0.457 12.223 0.000) 12.231 3.806 ( 2.928 23.484 0.000) 23.666 3.927 ( -9.331 8.415 0.000) 12.565 3.952 ( -11.605 3.556 0.000) 12.138 4.082 ( 1.666 13.472 0.000) 13.574 4.147 ( -3.162 -4.068 0.000) 5.153 4.293 ( 2.469 5.570 0.000) 6.093 4.418 ( 10.471 6.042 0.000) 12.089 4.538 ( -6.609 12.165 0.000) 13.845 4.616 ( -6.766 -7.518 0.000) 10.114 4.702 ( -0.468 14.818 0.000) 14.825 4.863 ( -11.133 -2.885 0.000) 11.500 5.047 ( -6.443 0.555 0.000) 6.467 5.051 ( -3.545 -2.201 0.000) 4.173 5.121 ( 5.234 9.896 0.000) 11.195 5.165 ( -4.314 9.023 0.000) 10.001 5.295 ( 0.935 -5.217 0.000) 5.300 5.429 ( 1.198 -6.708 0.000) 6.814 5.484 ( 2.747 -4.635 0.000) 5.387 5.575 ( 3.674 -5.562 0.000) 6.665 5.643 ( -1.274 -7.315 0.000) 7.426 5.688 ( 3.743 -6.619 0.000) 7.604 5.802 ( -0.522 -0.213 0.000) 0.563 6.165 ( 3.584 -10.262 0.000) 10.870 6.224 ( -0.526 -8.444 0.000) 8.460 6.401 ( 2.111 -8.281 0.000) 8.546 6.426 ( 7.030 -7.658 0.000) 10.395 6.504 ( 2.177 -10.328 0.000) 10.554 6.667 ( 2.029 -0.864 0.000) 2.205 7.178 ( -2.318 -4.291 0.000) 4.877 7.187 ( -4.814 -0.552 0.000) 4.846 7.288 ( -4.760 -2.991 0.000) 5.622 7.355 ( -8.677 3.484 0.000) 9.351 7.510 ( -1.009 7.909 0.000) 7.973 7.571 ( -3.155 7.331 0.000) 7.982 7.675 ( 0.136 -5.441 0.000) 5.443 7.688 ( -0.848 -3.686 0.000) 3.782 7.917 ( 1.832 0.316 0.000) 1.859 8.067 ( 2.487 -1.483 0.000) 2.896 8.089 ( 5.301 -1.489 0.000) 5.506 8.204 ( 4.807 -1.290 0.000) 4.977 8.371 ( 13.722 -3.878 0.000) 14.259 8.467 ( 5.156 1.565 0.000) 5.389 8.477 ( 2.064 2.163 0.000) 2.990 8.982 ( -3.814 -2.416 0.000) 4.515 9.020 ( -8.529 3.653 0.000) 9.278 9.107 ( -1.646 -2.790 0.000) 3.240 9.149 ( -7.174 4.208 0.000) 8.317 9.287 ( 3.201 1.291 0.000) 3.451 9.320 ( 0.711 3.872 0.000) 3.936 9.619 ( 5.035 -1.781 0.000) 5.340 9.791 ( 0.693 -3.767 0.000) 3.830 9.951 ( 3.687 -4.351 0.000) 5.703 9.972 ( -3.834 -2.012 0.000) 4.330 10.073 ( 0.317 -0.516 0.000) 0.606 10.125 ( -2.661 -1.709 0.000) 3.163 10.306 ( 1.943 -6.785 0.000) 7.057 10.669 ( -4.560 -18.865 0.000) 19.409 10.758 ( -2.392 -18.219 0.000) 18.375 12.124 ( 0.791 -4.184 0.000) 4.258 12.179 ( -0.395 -4.420 0.000) 4.438 12.184 ( 0.278 -3.088 0.000) 3.101 12.262 ( -0.988 -1.675 0.000) 1.945 ======================= Grid point 38 (23/70) ======================= q-point: ( 0.25 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( 8.089 20.082 0.000) 21.650 2.292 ( 3.404 21.168 0.000) 21.440 2.401 ( 8.849 14.974 0.000) 17.393 2.551 ( 3.591 17.892 0.000) 18.248 2.646 ( 0.349 4.821 0.000) 4.833 2.976 ( 0.587 10.682 0.000) 10.698 3.154 ( -0.692 6.908 0.000) 6.943 3.271 ( -0.789 8.736 0.000) 8.772 3.353 ( -2.262 4.928 0.000) 5.423 3.443 ( 0.717 14.528 0.000) 14.546 3.680 ( -13.368 5.027 0.000) 14.282 3.715 ( -10.865 2.491 0.000) 11.147 3.865 ( 0.685 18.395 0.000) 18.408 4.046 ( -6.169 11.953 0.000) 13.451 4.050 ( -8.430 -7.731 0.000) 11.438 4.287 ( -2.885 10.343 0.000) 10.738 4.436 ( -2.331 7.882 0.000) 8.220 4.470 ( -2.041 3.986 0.000) 4.479 4.579 ( -14.192 -2.891 0.000) 14.483 4.676 ( 6.698 -4.655 0.000) 8.156 4.691 ( 3.369 24.633 0.000) 24.862 4.932 ( -4.173 4.859 0.000) 6.405 4.980 ( -3.414 1.973 0.000) 3.943 5.110 ( -1.273 6.899 0.000) 7.016 5.236 ( 3.849 0.907 0.000) 3.954 5.290 ( 0.680 0.727 0.000) 0.996 5.442 ( -0.199 -4.345 0.000) 4.349 5.521 ( 0.854 -6.529 0.000) 6.585 5.571 ( -4.045 -0.789 0.000) 4.121 5.676 ( 4.961 -8.023 0.000) 9.433 5.766 ( 3.641 -6.780 0.000) 7.696 5.823 ( 2.060 -1.019 0.000) 2.298 6.249 ( 2.667 -8.087 0.000) 8.515 6.256 ( 5.180 -9.516 0.000) 10.835 6.424 ( -0.003 -7.890 0.000) 7.890 6.537 ( 0.509 -8.881 0.000) 8.896 6.566 ( 6.818 -5.050 0.000) 8.485 6.720 ( 2.901 0.584 0.000) 2.959 7.078 ( -3.914 4.575 0.000) 6.021 7.103 ( -4.674 -3.276 0.000) 5.708 7.194 ( -5.836 -5.902 0.000) 8.300 7.223 ( -4.260 2.034 0.000) 4.721 7.499 ( 0.165 4.763 0.000) 4.765 7.502 ( -2.632 6.233 0.000) 6.766 7.705 ( 2.861 -7.220 0.000) 7.766 7.707 ( 3.142 -6.687 0.000) 7.388 7.998 ( 5.426 2.990 0.000) 6.195 8.113 ( 1.843 0.384 0.000) 1.882 8.217 ( 6.180 -2.539 0.000) 6.682 8.326 ( 6.136 -0.826 0.000) 6.191 8.503 ( 0.650 1.110 0.000) 1.286 8.513 ( -0.836 3.739 0.000) 3.832 8.599 ( 6.511 -0.742 0.000) 6.554 8.822 ( -10.253 2.617 0.000) 10.582 8.872 ( -5.839 -3.184 0.000) 6.650 9.044 ( -2.358 3.574 0.000) 4.281 9.073 ( -1.772 0.616 0.000) 1.876 9.330 ( 0.049 1.383 0.000) 1.384 9.343 ( 2.422 3.809 0.000) 4.514 9.678 ( -0.997 -3.383 0.000) 3.526 9.806 ( 0.810 -3.770 0.000) 3.856 9.931 ( 0.431 -8.674 0.000) 8.685 10.025 ( 3.273 -6.404 0.000) 7.193 10.066 ( -1.546 -3.018 0.000) 3.391 10.121 ( 4.733 -3.819 0.000) 6.081 10.337 ( 0.859 -6.311 0.000) 6.369 10.534 ( -8.444 -14.120 0.000) 16.453 10.691 ( -4.363 -15.706 0.000) 16.301 12.143 ( 1.020 -3.958 0.000) 4.087 12.174 ( 0.085 -3.867 0.000) 3.868 12.191 ( 0.386 -2.630 0.000) 2.658 12.237 ( -1.452 -2.252 0.000) 2.680 ======================= Grid point 39 (24/70) ======================= q-point: ( 0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( 8.276 16.398 0.000) 18.368 2.399 ( 6.249 15.010 0.000) 16.259 2.574 ( 4.937 9.585 0.000) 10.782 2.666 ( 5.893 13.250 0.000) 14.501 2.666 ( 6.709 14.246 0.000) 15.747 2.915 ( -6.687 4.255 0.000) 7.926 3.178 ( 1.501 6.853 0.000) 7.016 3.190 ( -7.215 5.954 0.000) 9.354 3.351 ( 2.761 3.447 0.000) 4.416 3.430 ( -2.620 15.692 0.000) 15.909 3.472 ( -11.754 1.176 0.000) 11.813 3.542 ( 0.502 14.296 0.000) 14.305 3.809 ( -12.972 -6.992 0.000) 14.736 3.816 ( -5.619 11.667 0.000) 12.949 3.937 ( -1.931 14.466 0.000) 14.595 4.195 ( -13.681 4.821 0.000) 14.505 4.299 ( 1.923 9.084 0.000) 9.285 4.453 ( -1.564 5.995 0.000) 6.195 4.529 ( 3.252 0.894 0.000) 3.372 4.647 ( -2.291 4.285 0.000) 4.859 4.803 ( 0.515 10.413 0.000) 10.426 4.908 ( -3.755 5.138 0.000) 6.364 5.004 ( 11.417 11.267 0.000) 16.041 5.104 ( 0.580 1.715 0.000) 1.811 5.206 ( -3.648 -4.975 0.000) 6.169 5.361 ( 3.293 7.385 0.000) 8.086 5.409 ( -4.787 3.509 0.000) 5.936 5.463 ( -4.470 0.752 0.000) 4.533 5.585 ( 5.873 -8.781 0.000) 10.564 5.787 ( 4.989 -7.449 0.000) 8.966 5.803 ( -1.275 -5.976 0.000) 6.111 5.851 ( 1.066 -3.615 0.000) 3.769 6.313 ( 3.295 -6.819 0.000) 7.573 6.360 ( 4.972 -8.953 0.000) 10.241 6.408 ( -1.363 -6.924 0.000) 7.057 6.512 ( -2.552 -7.515 0.000) 7.936 6.710 ( 7.493 -3.577 0.000) 8.303 6.781 ( 3.534 1.543 0.000) 3.856 7.008 ( -5.164 -5.164 0.000) 7.303 7.038 ( -4.486 2.154 0.000) 4.976 7.068 ( -2.239 -2.627 0.000) 3.452 7.152 ( -3.119 3.432 0.000) 4.637 7.485 ( 0.614 4.046 0.000) 4.092 7.509 ( 0.351 2.436 0.000) 2.461 7.791 ( 5.591 -7.854 0.000) 9.641 7.802 ( 5.738 -6.990 0.000) 9.044 8.099 ( 3.366 0.430 0.000) 3.394 8.122 ( -1.247 -2.320 0.000) 2.634 8.280 ( -0.899 0.479 0.000) 1.019 8.394 ( -2.543 5.622 0.000) 6.171 8.474 ( 0.759 3.837 0.000) 3.912 8.484 ( 0.267 4.065 0.000) 4.074 8.663 ( -4.838 0.359 0.000) 4.852 8.668 ( -0.218 -0.060 0.000) 0.226 8.809 ( 1.762 -2.092 0.000) 2.735 9.029 ( -2.961 1.692 0.000) 3.410 9.048 ( 1.766 1.536 0.000) 2.341 9.250 ( -7.661 0.827 0.000) 7.706 9.433 ( 6.256 0.982 0.000) 6.333 9.628 ( -2.582 -4.119 0.000) 4.861 9.827 ( 1.317 -3.588 0.000) 3.822 9.907 ( -2.744 -6.233 0.000) 6.811 10.083 ( 2.850 -7.876 0.000) 8.376 10.120 ( 4.948 -7.879 0.000) 9.304 10.251 ( 7.487 -7.126 0.000) 10.336 10.335 ( -0.881 -7.346 0.000) 7.399 10.360 ( -7.979 -10.651 0.000) 13.308 10.580 ( -6.780 -12.769 0.000) 14.458 12.160 ( 0.719 -4.217 0.000) 4.278 12.185 ( 0.843 -2.716 0.000) 2.843 12.194 ( -0.312 -3.272 0.000) 3.287 12.210 ( -0.954 -2.066 0.000) 2.275 ======================= Grid point 40 (25/70) ======================= q-point: (-0.50 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( -4.389 12.958 0.000) 13.682 2.428 ( 4.389 12.958 0.000) 13.682 2.676 ( -7.839 8.676 0.000) 11.693 2.676 ( 7.840 8.676 0.000) 11.693 2.820 ( -4.320 14.517 0.000) 15.146 2.820 ( 4.320 14.517 0.000) 15.146 3.110 ( -3.795 -0.708 0.000) 3.861 3.110 ( 3.795 -0.708 0.000) 3.861 3.383 ( -1.740 13.334 0.000) 13.447 3.383 ( 1.740 13.334 0.000) 13.447 3.477 ( -8.502 3.858 0.000) 9.336 3.477 ( 8.502 3.858 0.000) 9.336 3.706 ( -3.783 9.517 0.000) 10.241 3.706 ( 3.783 9.517 0.000) 10.241 3.978 ( -6.440 7.053 0.000) 9.551 3.978 ( 6.440 7.053 0.000) 9.551 4.382 ( -4.844 8.093 0.000) 9.431 4.382 ( 4.844 8.093 0.000) 9.431 4.595 ( -2.964 2.596 0.000) 3.940 4.595 ( 2.964 2.596 0.000) 3.940 4.837 ( -3.040 7.242 0.000) 7.854 4.837 ( 3.040 7.242 0.000) 7.854 5.136 ( -2.643 -2.399 0.000) 3.569 5.136 ( 2.643 -2.399 0.000) 3.569 5.238 ( -10.701 8.710 0.000) 13.797 5.238 ( 10.701 8.710 0.000) 13.797 5.413 ( -2.111 4.712 0.000) 5.163 5.413 ( 2.111 4.712 0.000) 5.163 5.718 ( -6.319 -6.901 0.000) 9.357 5.718 ( 6.319 -6.901 0.000) 9.357 5.853 ( -1.439 -6.264 0.000) 6.427 5.853 ( 1.439 -6.264 0.000) 6.427 6.371 ( -2.380 -5.941 0.000) 6.400 6.371 ( 2.380 -5.941 0.000) 6.400 6.448 ( -3.770 -8.093 0.000) 8.928 6.448 ( 3.770 -8.093 0.000) 8.928 6.842 ( -2.394 -2.235 0.000) 3.275 6.842 ( 2.394 -2.235 0.000) 3.275 6.919 ( -1.499 -2.758 0.000) 3.139 6.919 ( 1.499 -2.758 0.000) 3.139 7.098 ( -2.401 3.052 0.000) 3.883 7.098 ( 2.401 3.052 0.000) 3.883 7.504 ( -0.835 2.314 0.000) 2.460 7.504 ( 0.835 2.314 0.000) 2.460 7.880 ( -0.493 -7.451 0.000) 7.467 7.880 ( 0.493 -7.451 0.000) 7.467 8.093 ( -0.684 -6.032 0.000) 6.070 8.093 ( 0.684 -6.032 0.000) 6.070 8.300 ( -4.097 11.073 0.000) 11.807 8.300 ( 4.097 11.073 0.000) 11.807 8.508 ( -0.079 2.983 0.000) 2.984 8.508 ( 0.079 2.983 0.000) 2.984 8.625 ( -1.157 -0.514 0.000) 1.266 8.625 ( 1.157 -0.514 0.000) 1.266 8.930 ( -7.236 -1.522 0.000) 7.395 8.930 ( 7.236 -1.522 0.000) 7.395 9.106 ( -4.803 1.954 0.000) 5.185 9.106 ( 4.803 1.954 0.000) 5.185 9.557 ( -5.145 -2.479 0.000) 5.711 9.557 ( 5.145 -2.479 0.000) 5.711 9.858 ( -1.907 -4.005 0.000) 4.436 9.858 ( 1.907 -4.005 0.000) 4.436 10.149 ( -3.049 -8.646 0.000) 9.168 10.149 ( 3.049 -8.646 0.000) 9.168 10.287 ( -1.434 -8.803 0.000) 8.919 10.287 ( 1.434 -8.803 0.000) 8.919 10.426 ( -8.210 -10.064 0.000) 12.988 10.426 ( 8.210 -10.064 0.000) 12.988 12.177 ( -0.998 -4.037 0.000) 4.159 12.177 ( 0.998 -4.037 0.000) 4.159 12.200 ( -0.514 -2.032 0.000) 2.097 12.200 ( 0.514 -2.032 0.000) 2.097 ======================= Grid point 45 (26/70) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( 0.000 24.245 0.000) 24.245 2.502 ( 0.000 12.555 0.000) 12.555 2.707 ( 0.000 3.652 0.000) 3.652 2.825 ( 0.000 26.315 0.000) 26.315 2.967 ( 0.000 20.317 0.000) 20.317 3.205 ( 0.000 13.360 0.000) 13.360 3.370 ( 0.000 5.156 0.000) 5.156 3.378 ( 0.000 3.961 0.000) 3.961 3.475 ( 0.000 1.379 0.000) 1.379 3.629 ( 0.000 8.391 0.000) 8.391 3.950 ( 0.000 -13.608 0.000) 13.608 3.974 ( 0.000 -3.734 0.000) 3.734 4.131 ( 0.000 -2.234 0.000) 2.234 4.196 ( 0.000 -1.269 0.000) 1.269 4.250 ( 0.000 -3.384 0.000) 3.384 4.361 ( 0.000 12.522 0.000) 12.522 4.436 ( 0.000 14.309 0.000) 14.309 4.451 ( 0.000 -6.918 0.000) 6.918 4.861 ( 0.000 -2.487 0.000) 2.487 4.934 ( 0.000 3.348 0.000) 3.348 5.018 ( 0.000 4.052 0.000) 4.052 5.054 ( 0.000 -5.041 0.000) 5.041 5.161 ( 0.000 -5.528 0.000) 5.528 5.166 ( 0.000 13.539 0.000) 13.539 5.177 ( 0.000 7.081 0.000) 7.081 5.199 ( 0.000 1.050 0.000) 1.050 5.351 ( 0.000 -5.010 0.000) 5.010 5.444 ( 0.000 -7.707 0.000) 7.707 5.494 ( 0.000 -8.612 0.000) 8.612 5.504 ( 0.000 -0.808 0.000) 0.808 5.532 ( 0.000 5.328 0.000) 5.328 5.838 ( 0.000 0.732 0.000) 0.732 5.971 ( 0.000 -3.601 0.000) 3.601 6.108 ( 0.000 -7.605 0.000) 7.605 6.133 ( 0.000 -5.685 0.000) 5.685 6.220 ( 0.000 -6.994 0.000) 6.994 6.380 ( 0.000 1.715 0.000) 1.715 6.667 ( 0.000 3.401 0.000) 3.401 7.036 ( 0.000 -11.512 0.000) 11.512 7.077 ( 0.000 -7.297 0.000) 7.297 7.402 ( 0.000 3.168 0.000) 3.168 7.509 ( 0.000 1.846 0.000) 1.846 7.623 ( 0.000 -2.352 0.000) 2.352 7.624 ( 0.000 -2.675 0.000) 2.675 7.732 ( 0.000 5.829 0.000) 5.829 7.778 ( 0.000 7.463 0.000) 7.463 7.856 ( 0.000 -1.565 0.000) 1.565 7.975 ( 0.000 -1.754 0.000) 1.754 8.109 ( 0.000 0.874 0.000) 0.874 8.141 ( 0.000 3.774 0.000) 3.774 8.156 ( 0.000 2.324 0.000) 2.324 8.421 ( 0.000 0.544 0.000) 0.544 8.536 ( 0.000 5.216 0.000) 5.216 8.951 ( 0.000 -4.909 0.000) 4.909 9.016 ( 0.000 -3.704 0.000) 3.704 9.171 ( 0.000 0.217 0.000) 0.217 9.321 ( 0.000 5.497 0.000) 5.497 9.332 ( 0.000 3.006 0.000) 3.006 9.345 ( 0.000 2.272 0.000) 2.272 9.577 ( 0.000 1.305 0.000) 1.305 9.706 ( 0.000 -3.476 0.000) 3.476 9.800 ( 0.000 -6.290 0.000) 6.290 9.945 ( 0.000 -7.119 0.000) 7.119 10.097 ( 0.000 0.184 0.000) 0.184 10.134 ( 0.000 -1.904 0.000) 1.904 10.156 ( 0.000 -3.932 0.000) 3.932 10.372 ( 0.000 -10.659 0.000) 10.659 10.417 ( 0.000 -15.806 0.000) 15.806 12.035 ( 0.000 -3.182 0.000) 3.182 12.088 ( 0.000 -4.473 0.000) 4.473 12.125 ( 0.000 -1.805 0.000) 1.805 12.223 ( 0.000 -3.219 0.000) 3.219 ======================= Grid point 46 (27/70) ======================= q-point: ( 0.12 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.464 ( 2.407 23.037 0.000) 23.163 2.542 ( 3.832 11.746 0.000) 12.355 2.718 ( 1.218 4.025 0.000) 4.205 2.790 ( -2.920 24.935 0.000) 25.106 2.927 ( -3.137 17.765 0.000) 18.039 3.216 ( 0.097 11.955 0.000) 11.955 3.324 ( -3.343 5.339 0.000) 6.299 3.406 ( 2.240 5.486 0.000) 5.925 3.464 ( -1.444 1.641 0.000) 2.186 3.641 ( 1.332 8.103 0.000) 8.212 3.880 ( -7.921 -4.526 0.000) 9.123 3.922 ( -4.418 -11.848 0.000) 12.645 3.985 ( -8.012 -0.894 0.000) 8.062 4.205 ( -0.248 7.335 0.000) 7.339 4.337 ( 4.557 -2.280 0.000) 5.096 4.377 ( -3.348 0.355 0.000) 3.366 4.439 ( 0.173 3.870 0.000) 3.874 4.483 ( 6.542 5.459 0.000) 8.520 4.687 ( -13.680 0.866 0.000) 13.707 4.803 ( -10.874 -3.824 0.000) 11.526 4.993 ( 0.268 1.847 0.000) 1.866 5.097 ( -2.201 3.188 0.000) 3.874 5.112 ( 3.171 6.615 0.000) 7.336 5.183 ( 0.577 0.816 0.000) 1.000 5.204 ( 0.462 0.866 0.000) 0.981 5.267 ( -2.258 1.633 0.000) 2.787 5.368 ( 5.248 6.102 0.000) 8.049 5.452 ( 3.374 -7.916 0.000) 8.605 5.479 ( 0.117 -6.694 0.000) 6.695 5.537 ( -0.204 4.255 0.000) 4.260 5.572 ( 3.516 -5.846 0.000) 6.822 5.829 ( -0.334 1.050 0.000) 1.102 6.011 ( 3.536 -4.192 0.000) 5.484 6.074 ( 0.362 -5.270 0.000) 5.282 6.242 ( 1.880 -7.198 0.000) 7.439 6.260 ( 7.654 -7.342 0.000) 10.606 6.418 ( 3.738 2.292 0.000) 4.385 6.692 ( 2.345 3.155 0.000) 3.932 7.034 ( -0.495 -10.955 0.000) 10.966 7.058 ( -2.009 -6.710 0.000) 7.004 7.333 ( -6.015 4.338 0.000) 7.416 7.420 ( -7.140 2.744 0.000) 7.649 7.558 ( -3.157 -4.039 0.000) 5.126 7.575 ( -2.913 -4.008 0.000) 4.955 7.695 ( -2.779 6.274 0.000) 6.862 7.732 ( -3.360 7.686 0.000) 8.388 7.927 ( 4.718 -0.541 0.000) 4.749 8.032 ( 3.388 -2.183 0.000) 4.030 8.123 ( 4.333 3.832 0.000) 5.784 8.234 ( 6.845 3.934 0.000) 7.895 8.320 ( 12.125 -1.348 0.000) 12.200 8.501 ( 6.219 1.091 0.000) 6.314 8.546 ( 0.970 4.361 0.000) 4.468 8.906 ( -4.373 -4.817 0.000) 6.506 9.019 ( 0.446 -3.790 0.000) 3.816 9.081 ( -7.861 1.654 0.000) 8.034 9.248 ( -5.054 5.068 0.000) 7.157 9.345 ( 1.660 3.712 0.000) 4.067 9.384 ( 1.341 2.134 0.000) 2.521 9.596 ( 1.618 -0.424 0.000) 1.673 9.710 ( 0.419 -3.692 0.000) 3.716 9.821 ( 1.739 -7.385 0.000) 7.587 9.870 ( -6.660 -7.133 0.000) 9.759 10.060 ( -1.800 -0.374 0.000) 1.838 10.080 ( -4.390 -3.020 0.000) 5.329 10.193 ( 1.875 -4.462 0.000) 4.840 10.362 ( -2.016 -11.087 0.000) 11.269 10.421 ( 0.321 -13.348 0.000) 13.352 12.046 ( 1.040 -3.101 0.000) 3.271 12.090 ( 0.223 -4.074 0.000) 4.081 12.131 ( 0.515 -1.787 0.000) 1.860 12.214 ( -0.868 -2.934 0.000) 3.060 ======================= Grid point 47 (28/70) ======================= q-point: ( 0.25 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.533 ( 4.314 19.775 0.000) 20.240 2.634 ( 4.101 9.152 0.000) 10.029 2.739 ( -1.431 19.740 0.000) 19.792 2.766 ( 4.334 6.576 0.000) 7.876 2.876 ( -1.289 13.074 0.000) 13.137 3.167 ( -5.695 6.548 0.000) 8.678 3.274 ( -1.194 4.984 0.000) 5.125 3.426 ( -1.529 6.041 0.000) 6.231 3.432 ( -1.214 3.074 0.000) 3.305 3.680 ( -11.416 -4.532 0.000) 12.283 3.691 ( 3.729 8.916 0.000) 9.664 3.778 ( -5.489 2.722 0.000) 6.127 3.875 ( -6.412 -3.563 0.000) 7.335 4.160 ( -4.057 10.231 0.000) 11.006 4.282 ( -5.263 6.059 0.000) 8.025 4.397 ( -0.028 -0.600 0.000) 0.601 4.455 ( 1.047 0.074 0.000) 1.050 4.465 ( -6.776 -3.374 0.000) 7.570 4.515 ( -14.375 -3.071 0.000) 14.700 4.592 ( 3.099 -1.927 0.000) 3.649 5.012 ( 0.241 2.746 0.000) 2.756 5.070 ( -0.924 4.838 0.000) 4.925 5.164 ( 0.582 8.438 0.000) 8.458 5.202 ( -3.370 2.454 0.000) 4.169 5.205 ( 1.403 8.125 0.000) 8.245 5.252 ( 7.507 -4.924 0.000) 8.978 5.421 ( 0.253 -2.413 0.000) 2.426 5.487 ( -0.619 -3.915 0.000) 3.964 5.494 ( -0.107 -1.051 0.000) 1.057 5.566 ( 4.374 1.658 0.000) 4.678 5.655 ( 4.176 -5.174 0.000) 6.649 5.836 ( 0.585 -0.055 0.000) 0.588 6.095 ( 4.577 -5.313 0.000) 7.012 6.120 ( 3.956 -2.975 0.000) 4.949 6.277 ( 1.322 -6.237 0.000) 6.376 6.375 ( 2.998 -5.806 0.000) 6.534 6.526 ( 6.670 1.538 0.000) 6.845 6.750 ( 3.119 2.245 0.000) 3.843 6.995 ( -4.227 -5.619 0.000) 7.031 6.999 ( -3.160 -9.507 0.000) 10.018 7.222 ( -3.948 6.391 0.000) 7.512 7.297 ( -4.308 3.976 0.000) 5.862 7.551 ( 2.436 -6.108 0.000) 6.576 7.555 ( 1.377 -5.661 0.000) 5.826 7.646 ( -1.683 7.007 0.000) 7.206 7.665 ( -3.048 7.613 0.000) 8.201 8.012 ( 3.023 -2.547 0.000) 3.953 8.069 ( -0.021 -4.236 0.000) 4.236 8.244 ( 7.039 4.820 0.000) 8.531 8.389 ( 7.957 6.075 0.000) 10.011 8.533 ( 6.193 0.747 0.000) 6.238 8.581 ( 3.948 -0.166 0.000) 3.951 8.594 ( 2.186 3.683 0.000) 4.283 8.800 ( -4.930 -3.646 0.000) 6.132 8.886 ( -10.368 3.406 0.000) 10.914 9.044 ( 1.265 -3.149 0.000) 3.394 9.157 ( -3.536 7.003 0.000) 7.845 9.365 ( -0.618 1.830 0.000) 1.932 9.409 ( 1.601 2.283 0.000) 2.788 9.591 ( -4.067 -5.349 0.000) 6.720 9.722 ( 0.819 -3.927 0.000) 4.011 9.759 ( -1.341 -5.883 0.000) 6.034 9.858 ( 1.944 -8.838 0.000) 9.049 9.993 ( -3.611 -4.360 0.000) 5.661 10.052 ( 1.138 -2.483 0.000) 2.731 10.208 ( -0.395 -6.176 0.000) 6.189 10.284 ( -5.427 -9.816 0.000) 11.216 10.406 ( -2.221 -11.723 0.000) 11.931 12.071 ( 1.193 -2.833 0.000) 3.074 12.102 ( 1.113 -3.224 0.000) 3.411 12.141 ( 0.365 -1.824 0.000) 1.860 12.192 ( -1.198 -2.310 0.000) 2.602 ======================= Grid point 48 (29/70) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.623 ( 4.113 15.587 0.000) 16.121 2.677 ( 1.013 9.719 0.000) 9.772 2.745 ( 1.859 11.285 0.000) 11.437 2.898 ( 4.041 7.133 0.000) 8.198 2.915 ( 9.882 7.507 0.000) 12.410 3.001 ( -9.611 3.851 0.000) 10.353 3.247 ( -5.394 0.185 0.000) 5.397 3.326 ( -8.017 4.825 0.000) 9.357 3.392 ( -1.537 3.469 0.000) 3.794 3.541 ( 1.383 3.885 0.000) 4.124 3.668 ( -9.604 -0.996 0.000) 9.655 3.733 ( -1.065 11.798 0.000) 11.846 3.820 ( 5.245 12.051 0.000) 13.143 4.061 ( -5.507 11.415 0.000) 12.674 4.170 ( -5.754 7.992 0.000) 9.847 4.191 ( -12.256 -3.951 0.000) 12.877 4.380 ( 0.925 -0.629 0.000) 1.119 4.460 ( -0.831 -3.351 0.000) 3.453 4.500 ( 3.051 -3.673 0.000) 4.774 4.610 ( -0.978 -3.215 0.000) 3.360 5.007 ( 0.125 8.560 0.000) 8.561 5.052 ( -0.854 7.143 0.000) 7.194 5.138 ( -2.841 2.529 0.000) 3.804 5.141 ( -2.037 -1.174 0.000) 2.351 5.246 ( 2.669 2.103 0.000) 3.398 5.380 ( -3.516 -6.666 0.000) 7.536 5.461 ( 9.797 2.124 0.000) 10.025 5.481 ( 1.746 1.120 0.000) 2.074 5.495 ( 0.099 2.123 0.000) 2.125 5.672 ( 5.233 -2.464 0.000) 5.784 5.703 ( 0.389 -4.573 0.000) 4.589 5.825 ( -2.081 -1.261 0.000) 2.433 6.186 ( 4.304 -6.071 0.000) 7.441 6.208 ( 3.883 -1.385 0.000) 4.123 6.296 ( 0.814 -3.819 0.000) 3.904 6.380 ( -1.986 -3.890 0.000) 4.368 6.663 ( 6.671 -0.645 0.000) 6.702 6.805 ( 2.149 0.450 0.000) 2.196 6.900 ( -4.943 -4.684 0.000) 6.809 6.921 ( -4.069 -7.428 0.000) 8.470 7.187 ( 0.211 8.194 0.000) 8.197 7.242 ( -1.779 5.487 0.000) 5.768 7.605 ( 0.358 2.820 0.000) 2.842 7.616 ( -0.848 7.478 0.000) 7.526 7.631 ( 4.784 -7.439 0.000) 8.845 7.659 ( 4.421 -3.751 0.000) 5.798 8.018 ( -2.541 -5.993 0.000) 6.509 8.029 ( -3.640 -5.810 0.000) 6.856 8.389 ( 6.994 7.253 0.000) 10.076 8.533 ( 6.095 6.762 0.000) 9.103 8.568 ( 0.606 3.564 0.000) 3.615 8.593 ( -1.954 6.462 0.000) 6.750 8.673 ( 1.945 0.100 0.000) 1.948 8.699 ( -7.464 3.625 0.000) 8.298 8.764 ( 2.391 -2.197 0.000) 3.247 9.037 ( -3.105 -1.357 0.000) 3.389 9.121 ( 0.041 5.686 0.000) 5.686 9.265 ( -8.109 0.848 0.000) 8.153 9.455 ( 2.878 0.720 0.000) 2.967 9.528 ( -0.798 -5.276 0.000) 5.336 9.745 ( 1.485 -3.926 0.000) 4.198 9.778 ( 0.866 -5.308 0.000) 5.378 9.900 ( 2.201 -9.385 0.000) 9.640 9.956 ( -0.017 -7.731 0.000) 7.731 10.101 ( 3.427 -6.569 0.000) 7.409 10.167 ( -5.412 -7.487 0.000) 9.238 10.181 ( -1.838 -7.300 0.000) 7.528 10.331 ( -5.034 -11.146 0.000) 12.230 12.093 ( 1.134 -2.275 0.000) 2.542 12.130 ( 1.501 -2.623 0.000) 3.022 12.138 ( -0.741 -1.895 0.000) 2.035 12.172 ( -0.761 -1.936 0.000) 2.080 ======================= Grid point 49 (30/70) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.678 ( -1.274 11.170 0.000) 11.242 2.678 ( 1.274 11.170 0.000) 11.242 2.828 ( -6.727 7.345 0.000) 9.960 2.828 ( 6.727 7.345 0.000) 9.960 3.049 ( -10.353 0.838 0.000) 10.387 3.049 ( 10.353 0.838 0.000) 10.387 3.130 ( -10.930 5.437 0.000) 12.207 3.130 ( 10.930 5.437 0.000) 12.207 3.479 ( -8.027 3.286 0.000) 8.674 3.479 ( 8.027 3.286 0.000) 8.674 3.650 ( -6.939 9.382 0.000) 11.669 3.650 ( 6.939 9.382 0.000) 11.669 3.944 ( -6.246 12.120 0.000) 13.635 3.944 ( 6.246 12.120 0.000) 13.635 4.083 ( -1.359 3.711 0.000) 3.952 4.083 ( 1.359 3.711 0.000) 3.952 4.423 ( -2.541 -2.930 0.000) 3.878 4.423 ( 2.541 -2.930 0.000) 3.878 4.565 ( -3.135 -3.867 0.000) 4.978 4.565 ( 3.135 -3.867 0.000) 4.978 5.029 ( -1.623 10.453 0.000) 10.578 5.029 ( 1.623 10.453 0.000) 10.578 5.109 ( -0.449 -0.300 0.000) 0.540 5.109 ( 0.449 -0.300 0.000) 0.540 5.308 ( -3.409 -3.628 0.000) 4.978 5.308 ( 3.409 -3.628 0.000) 4.978 5.489 ( -0.662 1.003 0.000) 1.202 5.489 ( 0.662 1.003 0.000) 1.202 5.651 ( -6.229 -1.223 0.000) 6.348 5.651 ( 6.229 -1.223 0.000) 6.348 5.760 ( -3.792 -1.936 0.000) 4.257 5.760 ( 3.792 -1.936 0.000) 4.257 6.245 ( -0.693 -3.856 0.000) 3.918 6.245 ( 0.693 -3.856 0.000) 3.918 6.326 ( -2.571 -2.987 0.000) 3.941 6.326 ( 2.571 -2.987 0.000) 3.941 6.786 ( -5.373 -2.490 0.000) 5.922 6.786 ( 5.373 -2.490 0.000) 5.922 6.856 ( -2.162 -3.805 0.000) 4.377 6.856 ( 2.162 -3.805 0.000) 4.377 7.210 ( -1.563 7.704 0.000) 7.861 7.210 ( 1.563 7.704 0.000) 7.861 7.602 ( -0.088 5.410 0.000) 5.411 7.602 ( 0.088 5.410 0.000) 5.411 7.720 ( -1.097 -7.387 0.000) 7.468 7.720 ( 1.097 -7.387 0.000) 7.468 7.969 ( -0.284 -5.903 0.000) 5.909 7.969 ( 0.284 -5.903 0.000) 5.909 8.512 ( -5.356 8.156 0.000) 9.757 8.512 ( 5.356 8.156 0.000) 9.757 8.596 ( -1.955 4.434 0.000) 4.846 8.596 ( 1.955 4.434 0.000) 4.846 8.645 ( -3.173 3.458 0.000) 4.694 8.645 ( 3.173 3.458 0.000) 4.694 8.898 ( -9.144 -1.696 0.000) 9.300 8.898 ( 9.144 -1.696 0.000) 9.300 9.151 ( -2.997 2.945 0.000) 4.201 9.151 ( 2.997 2.945 0.000) 4.201 9.508 ( -1.899 -2.437 0.000) 3.090 9.508 ( 1.899 -2.437 0.000) 3.090 9.773 ( -1.055 -3.937 0.000) 4.076 9.773 ( 1.055 -3.937 0.000) 4.076 9.946 ( -2.015 -10.174 0.000) 10.372 9.946 ( 2.015 -10.174 0.000) 10.372 10.117 ( -0.834 -7.221 0.000) 7.269 10.117 ( 0.834 -7.221 0.000) 7.269 10.220 ( -5.455 -9.443 0.000) 10.905 10.220 ( 5.455 -9.443 0.000) 10.905 12.117 ( -1.226 -1.894 0.000) 2.256 12.117 ( 1.226 -1.894 0.000) 2.256 12.156 ( -1.002 -2.200 0.000) 2.418 12.156 ( 1.002 -2.200 0.000) 2.418 ======================= Grid point 54 (31/70) ======================= q-point: ( 0.00 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.698 ( 0.000 6.105 0.000) 6.105 2.753 ( 0.000 0.341 0.000) 0.341 2.924 ( 0.000 22.616 0.000) 22.616 3.298 ( 0.000 10.634 0.000) 10.634 3.320 ( 0.000 -13.142 0.000) 13.142 3.337 ( 0.000 23.222 0.000) 23.222 3.381 ( 0.000 2.282 0.000) 2.282 3.457 ( 0.000 2.961 0.000) 2.961 3.490 ( 0.000 0.129 0.000) 0.129 3.763 ( 0.000 -16.622 0.000) 16.622 3.784 ( 0.000 6.633 0.000) 6.633 3.798 ( 0.000 2.475 0.000) 2.475 4.048 ( 0.000 -5.076 0.000) 5.076 4.093 ( 0.000 -9.468 0.000) 9.468 4.187 ( 0.000 0.811 0.000) 0.811 4.242 ( 0.000 -5.189 0.000) 5.189 4.629 ( 0.000 5.809 0.000) 5.809 4.637 ( 0.000 4.857 0.000) 4.857 4.869 ( 0.000 1.818 0.000) 1.818 4.909 ( 0.000 -2.313 0.000) 2.313 4.966 ( 0.000 -2.591 0.000) 2.591 4.970 ( 0.000 -2.723 0.000) 2.723 5.109 ( 0.000 1.340 0.000) 1.340 5.212 ( 0.000 -7.482 0.000) 7.482 5.234 ( 0.000 3.250 0.000) 3.250 5.307 ( 0.000 2.723 0.000) 2.723 5.332 ( 0.000 -5.711 0.000) 5.711 5.408 ( 0.000 -6.295 0.000) 6.295 5.430 ( 0.000 10.249 0.000) 10.249 5.564 ( 0.000 12.771 0.000) 12.771 5.568 ( 0.000 -2.459 0.000) 2.459 5.765 ( 0.000 -7.065 0.000) 7.065 5.974 ( 0.000 3.341 0.000) 3.341 6.024 ( 0.000 -0.570 0.000) 0.570 6.059 ( 0.000 -2.779 0.000) 2.779 6.081 ( 0.000 -6.436 0.000) 6.436 6.522 ( 0.000 10.855 0.000) 10.855 6.772 ( 0.000 6.451 0.000) 6.451 6.777 ( 0.000 -13.187 0.000) 13.187 6.920 ( 0.000 -7.739 0.000) 7.739 7.478 ( 0.000 3.869 0.000) 3.869 7.546 ( 0.000 1.674 0.000) 1.674 7.554 ( 0.000 -3.597 0.000) 3.597 7.580 ( 0.000 -1.838 0.000) 1.838 7.819 ( 0.000 2.339 0.000) 2.339 7.841 ( 0.000 -0.355 0.000) 0.355 7.894 ( 0.000 3.824 0.000) 3.824 7.945 ( 0.000 -1.572 0.000) 1.572 8.153 ( 0.000 2.721 0.000) 2.721 8.187 ( 0.000 0.149 0.000) 0.149 8.251 ( 0.000 6.303 0.000) 6.303 8.376 ( 0.000 -4.910 0.000) 4.910 8.666 ( 0.000 7.328 0.000) 7.328 8.822 ( 0.000 -7.393 0.000) 7.393 9.019 ( 0.000 3.820 0.000) 3.820 9.123 ( 0.000 -4.728 0.000) 4.728 9.376 ( 0.000 1.216 0.000) 1.216 9.379 ( 0.000 0.893 0.000) 0.893 9.447 ( 0.000 6.747 0.000) 6.747 9.574 ( 0.000 -3.845 0.000) 3.845 9.659 ( 0.000 -0.662 0.000) 0.662 9.689 ( 0.000 -3.707 0.000) 3.707 9.844 ( 0.000 1.679 0.000) 1.679 10.002 ( 0.000 -10.592 0.000) 10.592 10.096 ( 0.000 0.024 0.000) 0.024 10.107 ( 0.000 -1.222 0.000) 1.222 10.231 ( 0.000 -1.893 0.000) 1.893 10.248 ( 0.000 -2.859 0.000) 2.859 11.995 ( 0.000 -0.597 0.000) 0.597 12.014 ( 0.000 -2.468 0.000) 2.468 12.114 ( 0.000 0.797 0.000) 0.797 12.155 ( 0.000 -3.021 0.000) 3.021 ======================= Grid point 55 (32/70) ======================= q-point: ( 0.12 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.722 ( 2.166 5.538 0.000) 5.946 2.771 ( 1.831 0.522 0.000) 1.904 2.922 ( -0.215 21.080 0.000) 21.081 3.191 ( -6.308 4.281 0.000) 7.623 3.270 ( -5.920 20.921 0.000) 21.742 3.338 ( -3.159 -0.781 0.000) 3.254 3.390 ( 0.560 -6.920 0.000) 6.943 3.416 ( -3.389 3.171 0.000) 4.641 3.481 ( -0.757 0.424 0.000) 0.867 3.685 ( -6.865 -14.647 0.000) 16.176 3.763 ( 1.264 5.702 0.000) 5.841 3.832 ( 0.973 1.365 0.000) 1.677 3.983 ( -1.648 3.966 0.000) 4.294 4.188 ( 4.562 -11.248 0.000) 12.138 4.235 ( 3.494 -0.295 0.000) 3.507 4.263 ( 1.578 -3.061 0.000) 3.444 4.611 ( -2.480 4.521 0.000) 5.157 4.616 ( -1.260 4.389 0.000) 4.566 4.691 ( -13.973 0.499 0.000) 13.982 4.725 ( -13.610 -3.019 0.000) 13.941 4.977 ( 1.750 -0.833 0.000) 1.938 5.011 ( 3.146 -4.699 0.000) 5.655 5.148 ( 1.311 4.041 0.000) 4.248 5.237 ( 0.161 3.502 0.000) 3.505 5.271 ( 0.993 -5.871 0.000) 5.954 5.308 ( 1.271 1.660 0.000) 2.091 5.337 ( 0.512 -6.071 0.000) 6.092 5.425 ( 1.520 -7.487 0.000) 7.639 5.449 ( 2.119 11.206 0.000) 11.404 5.581 ( 1.071 -1.629 0.000) 1.950 5.598 ( 2.835 10.674 0.000) 11.044 5.766 ( 0.029 -6.252 0.000) 6.252 5.998 ( 2.302 2.724 0.000) 3.566 6.055 ( 3.917 2.942 0.000) 4.899 6.101 ( 1.988 -6.516 0.000) 6.813 6.146 ( 6.883 -4.929 0.000) 8.466 6.553 ( 2.863 9.978 0.000) 10.381 6.786 ( 1.215 5.715 0.000) 5.843 6.790 ( 1.003 -12.361 0.000) 12.401 6.917 ( -0.475 -6.868 0.000) 6.884 7.419 ( -4.764 3.723 0.000) 6.046 7.468 ( -5.940 2.050 0.000) 6.284 7.485 ( -4.405 -3.032 0.000) 5.348 7.512 ( -4.791 -2.378 0.000) 5.349 7.812 ( -0.401 4.847 0.000) 4.864 7.873 ( -1.804 5.887 0.000) 6.158 7.892 ( 2.871 -2.860 0.000) 4.053 7.972 ( 0.961 -3.802 0.000) 3.922 8.213 ( 5.909 4.474 0.000) 7.412 8.288 ( 8.653 -2.478 0.000) 9.000 8.348 ( 8.457 6.635 0.000) 10.750 8.472 ( 8.162 -4.393 0.000) 9.269 8.655 ( -0.998 6.213 0.000) 6.292 8.789 ( -3.063 -6.443 0.000) 7.134 9.002 ( -1.476 2.395 0.000) 2.813 9.071 ( -4.890 -2.752 0.000) 5.611 9.345 ( -1.853 4.049 0.000) 4.453 9.398 ( 0.795 -0.927 0.000) 1.221 9.434 ( -1.308 5.182 0.000) 5.345 9.553 ( -2.450 -5.271 0.000) 5.813 9.660 ( 0.134 -0.742 0.000) 0.754 9.694 ( 0.438 -4.246 0.000) 4.269 9.801 ( -3.445 3.280 0.000) 4.756 9.954 ( -3.978 -9.119 0.000) 9.949 10.068 ( -1.821 1.327 0.000) 2.253 10.115 ( -0.214 -3.145 0.000) 3.152 10.220 ( -1.407 -1.747 0.000) 2.243 10.253 ( -0.191 -4.299 0.000) 4.303 12.006 ( 1.108 -0.648 0.000) 1.284 12.023 ( 0.859 -2.208 0.000) 2.369 12.118 ( 0.337 0.598 0.000) 0.686 12.153 ( -0.211 -2.662 0.000) 2.671 ======================= Grid point 56 (33/70) ======================= q-point: ( 0.25 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.772 ( 2.672 5.002 0.000) 5.671 2.831 ( 4.225 -0.116 0.000) 4.227 2.916 ( -0.314 16.677 0.000) 16.680 3.069 ( -5.452 4.562 0.000) 7.109 3.131 ( -7.370 16.635 0.000) 18.195 3.219 ( -7.888 0.266 0.000) 7.892 3.337 ( -5.261 -1.177 0.000) 5.391 3.352 ( -4.148 -11.491 0.000) 12.217 3.477 ( 0.351 1.442 0.000) 1.485 3.548 ( -4.044 -6.895 0.000) 7.993 3.849 ( 6.182 7.769 0.000) 9.929 3.877 ( 4.206 4.321 0.000) 6.030 3.954 ( -2.535 9.148 0.000) 9.493 4.225 ( -2.850 -13.109 0.000) 13.415 4.274 ( -0.475 1.664 0.000) 1.731 4.291 ( 1.372 -0.958 0.000) 1.673 4.435 ( -9.883 -0.625 0.000) 9.903 4.452 ( -10.470 -2.443 0.000) 10.751 4.529 ( -5.448 4.654 0.000) 7.165 4.590 ( -1.799 -0.435 0.000) 1.851 5.029 ( 3.135 0.187 0.000) 3.141 5.082 ( 3.544 -5.532 0.000) 6.570 5.151 ( -0.870 4.019 0.000) 4.112 5.238 ( -0.055 4.688 0.000) 4.689 5.248 ( -2.095 -2.699 0.000) 3.416 5.322 ( -0.062 2.049 0.000) 2.050 5.354 ( 1.338 -6.242 0.000) 6.384 5.460 ( 1.404 -7.296 0.000) 7.430 5.509 ( 3.427 9.440 0.000) 10.043 5.608 ( 1.868 -0.502 0.000) 1.934 5.643 ( 1.256 5.044 0.000) 5.198 5.759 ( -0.834 -5.808 0.000) 5.868 6.062 ( 4.086 2.321 0.000) 4.699 6.158 ( 3.524 -5.704 0.000) 6.704 6.166 ( 6.238 5.644 0.000) 8.412 6.280 ( 5.395 -4.751 0.000) 7.188 6.621 ( 3.525 7.236 0.000) 8.049 6.799 ( -0.374 -9.653 0.000) 9.661 6.809 ( 0.799 3.466 0.000) 3.557 6.891 ( -2.251 -4.498 0.000) 5.030 7.344 ( -1.773 5.225 0.000) 5.517 7.375 ( -2.602 3.582 0.000) 4.427 7.441 ( 0.463 -4.619 0.000) 4.642 7.452 ( -0.475 -4.205 0.000) 4.232 7.794 ( -1.396 6.930 0.000) 7.069 7.824 ( -2.891 7.368 0.000) 7.915 7.923 ( 0.015 -5.531 0.000) 5.531 7.962 ( -1.929 -6.026 0.000) 6.327 8.364 ( 8.511 6.201 0.000) 10.530 8.481 ( 9.512 -4.768 0.000) 10.640 8.531 ( 8.576 6.873 0.000) 10.990 8.628 ( 5.645 -1.498 0.000) 5.840 8.635 ( -0.654 4.127 0.000) 4.178 8.722 ( -2.773 -4.080 0.000) 4.933 8.945 ( -6.795 1.951 0.000) 7.070 8.979 ( -0.638 -2.295 0.000) 2.382 9.307 ( -1.830 7.012 0.000) 7.247 9.396 ( -2.746 1.673 0.000) 3.216 9.413 ( 0.693 -2.542 0.000) 2.635 9.467 ( -5.501 -5.477 0.000) 7.763 9.668 ( 0.749 -0.767 0.000) 1.073 9.709 ( 1.097 -4.947 0.000) 5.067 9.747 ( -1.469 4.018 0.000) 4.278 9.873 ( -3.639 -7.089 0.000) 7.969 10.033 ( -1.483 0.967 0.000) 1.770 10.094 ( -1.784 -4.650 0.000) 4.980 10.167 ( -3.889 -1.172 0.000) 4.062 10.222 ( -2.971 -6.095 0.000) 6.780 12.035 ( 1.609 -0.563 0.000) 1.705 12.048 ( 1.644 -1.816 0.000) 2.450 12.124 ( 0.121 0.167 0.000) 0.206 12.147 ( -0.469 -1.912 0.000) 1.969 ======================= Grid point 57 (34/70) ======================= q-point: ( 0.38 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.829 ( 2.958 6.452 0.000) 7.097 2.911 ( -0.444 11.053 0.000) 11.062 2.935 ( 5.824 -2.614 0.000) 6.384 2.988 ( -2.009 1.829 0.000) 2.717 3.005 ( -4.400 10.638 0.000) 11.512 3.064 ( -6.700 3.780 0.000) 7.693 3.186 ( -8.370 -6.122 0.000) 10.370 3.241 ( -6.655 -10.296 0.000) 12.260 3.512 ( 4.256 6.151 0.000) 7.480 3.583 ( 5.804 -0.444 0.000) 5.821 3.810 ( -8.311 11.744 0.000) 14.388 3.950 ( -3.771 5.386 0.000) 6.575 4.019 ( 6.880 5.263 0.000) 8.663 4.082 ( -0.847 -3.889 0.000) 3.980 4.234 ( -3.337 5.115 0.000) 6.107 4.300 ( -0.452 1.857 0.000) 1.911 4.321 ( -2.132 -2.443 0.000) 3.243 4.390 ( 1.320 -6.681 0.000) 6.810 4.399 ( -7.258 2.489 0.000) 7.673 4.533 ( -3.916 -5.637 0.000) 6.864 5.088 ( 2.390 0.724 0.000) 2.497 5.128 ( -1.026 2.522 0.000) 2.723 5.135 ( 1.648 -3.571 0.000) 3.933 5.202 ( -2.254 -3.224 0.000) 3.934 5.243 ( 0.912 6.388 0.000) 6.453 5.313 ( -1.088 6.247 0.000) 6.341 5.393 ( 2.392 -6.974 0.000) 7.373 5.469 ( -0.537 -5.933 0.000) 5.957 5.573 ( 2.836 5.059 0.000) 5.799 5.648 ( -0.605 1.270 0.000) 1.407 5.656 ( 2.575 -2.215 0.000) 3.397 5.734 ( -1.591 -5.885 0.000) 6.096 6.159 ( 5.409 2.965 0.000) 6.169 6.234 ( 3.871 -3.155 0.000) 4.994 6.265 ( 2.886 4.653 0.000) 5.475 6.336 ( 0.039 -1.986 0.000) 1.987 6.689 ( 3.374 3.086 0.000) 4.573 6.782 ( -0.759 -5.834 0.000) 5.883 6.808 ( -0.894 0.314 0.000) 0.948 6.831 ( -3.500 -2.086 0.000) 4.074 7.350 ( 1.756 7.388 0.000) 7.594 7.364 ( 0.903 6.051 0.000) 6.118 7.489 ( 3.416 -6.376 0.000) 7.233 7.493 ( 3.765 -6.794 0.000) 7.767 7.761 ( -1.678 6.502 0.000) 6.715 7.768 ( -2.418 6.997 0.000) 7.403 7.891 ( -2.831 -6.261 0.000) 6.871 7.903 ( -3.497 -6.343 0.000) 7.243 8.525 ( 6.640 5.657 0.000) 8.723 8.605 ( 1.484 -1.282 0.000) 1.961 8.644 ( 1.531 3.667 0.000) 3.974 8.671 ( -0.445 1.073 0.000) 1.162 8.675 ( 5.828 1.360 0.000) 5.984 8.720 ( 3.630 -2.241 0.000) 4.266 8.829 ( -3.871 7.727 0.000) 8.642 8.967 ( -2.243 -5.344 0.000) 5.796 9.273 ( -1.608 8.468 0.000) 8.619 9.300 ( -5.146 3.273 0.000) 6.098 9.407 ( -0.397 -6.429 0.000) 6.442 9.423 ( 0.234 -4.869 0.000) 4.875 9.692 ( 1.681 -0.517 0.000) 1.758 9.736 ( -0.129 1.490 0.000) 1.495 9.739 ( 1.892 -5.287 0.000) 5.615 9.816 ( -2.136 -5.678 0.000) 6.066 10.015 ( -0.251 -1.244 0.000) 1.269 10.054 ( -1.658 -4.615 0.000) 4.904 10.078 ( -4.332 -0.715 0.000) 4.390 10.142 ( -4.545 -6.688 0.000) 8.087 12.067 ( 1.626 -0.199 0.000) 1.639 12.084 ( 1.777 -1.707 0.000) 2.464 12.118 ( -0.684 -0.044 0.000) 0.686 12.135 ( -0.726 -1.502 0.000) 1.668 ======================= Grid point 58 (35/70) ======================= q-point: (-0.50 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.883 ( -2.166 8.602 0.000) 8.871 2.883 ( 2.166 8.602 0.000) 8.871 2.973 ( -1.913 6.695 0.000) 6.963 2.973 ( 1.913 6.695 0.000) 6.963 3.008 ( -2.275 -3.650 0.000) 4.301 3.008 ( 2.275 -3.650 0.000) 4.301 3.109 ( -4.653 -5.981 0.000) 7.577 3.109 ( 4.653 -5.981 0.000) 7.577 3.639 ( -7.949 8.975 0.000) 11.989 3.639 ( 7.949 8.975 0.000) 11.989 3.749 ( -10.390 -0.607 0.000) 10.408 3.749 ( 10.390 -0.607 0.000) 10.408 4.145 ( -5.576 6.849 0.000) 8.831 4.145 ( 5.576 6.849 0.000) 8.831 4.218 ( -8.138 9.570 0.000) 12.562 4.218 ( 8.138 9.570 0.000) 12.562 4.311 ( -0.695 -5.705 0.000) 5.747 4.311 ( 0.695 -5.704 0.000) 5.747 4.447 ( -4.072 -8.271 0.000) 9.219 4.447 ( 4.072 -8.271 0.000) 9.219 5.115 ( -0.519 1.085 0.000) 1.203 5.115 ( 0.519 1.085 0.000) 1.203 5.163 ( -1.572 -2.331 0.000) 2.812 5.163 ( 1.572 -2.331 0.000) 2.812 5.277 ( -2.177 7.432 0.000) 7.744 5.277 ( 2.177 7.432 0.000) 7.744 5.441 ( -2.135 -6.185 0.000) 6.543 5.441 ( 2.135 -6.185 0.000) 6.543 5.622 ( -1.986 1.252 0.000) 2.348 5.622 ( 1.986 1.252 0.000) 2.348 5.700 ( -1.809 -4.877 0.000) 5.202 5.700 ( 1.809 -4.877 0.000) 5.202 6.259 ( -3.585 3.193 0.000) 4.801 6.259 ( 3.585 3.193 0.000) 4.801 6.301 ( -2.682 -0.733 0.000) 2.780 6.301 ( 2.682 -0.733 0.000) 2.780 6.759 ( -3.558 -0.040 0.000) 3.558 6.759 ( 3.558 -0.040 0.000) 3.558 6.785 ( -1.020 -2.594 0.000) 2.787 6.785 ( 1.020 -2.594 0.000) 2.787 7.377 ( -0.264 8.103 0.000) 8.107 7.377 ( 0.264 8.103 0.000) 8.107 7.539 ( -0.268 -7.735 0.000) 7.740 7.539 ( 0.268 -7.735 0.000) 7.740 7.742 ( -0.014 5.542 0.000) 5.542 7.742 ( 0.014 5.542 0.000) 5.542 7.853 ( -0.382 -5.408 0.000) 5.422 7.853 ( 0.382 -5.408 0.000) 5.422 8.615 ( -2.949 2.701 0.000) 3.999 8.615 ( 2.949 2.701 0.000) 3.999 8.637 ( -2.285 0.460 0.000) 2.331 8.637 ( 2.285 0.460 0.000) 2.331 8.772 ( -3.356 5.907 0.000) 6.794 8.772 ( 3.356 5.907 0.000) 6.794 8.855 ( -7.906 -2.668 0.000) 8.344 8.855 ( 7.906 -2.668 0.000) 8.344 9.251 ( -0.008 7.204 0.000) 7.204 9.251 ( 0.008 7.204 0.000) 7.204 9.417 ( -0.783 -7.252 0.000) 7.294 9.417 ( 0.784 -7.252 0.000) 7.294 9.725 ( -1.188 -0.034 0.000) 1.188 9.725 ( 1.188 -0.034 0.000) 1.188 9.779 ( -1.870 -5.389 0.000) 5.704 9.779 ( 1.870 -5.389 0.000) 5.704 10.020 ( -1.140 -1.568 0.000) 1.939 10.020 ( 1.140 -1.568 0.000) 1.939 10.063 ( -2.783 -5.406 0.000) 6.080 10.063 ( 2.783 -5.406 0.000) 6.080 12.098 ( -1.332 -0.002 0.000) 1.332 12.098 ( 1.332 -0.002 0.000) 1.332 12.115 ( -1.279 -1.601 0.000) 2.050 12.115 ( 1.279 -1.601 0.000) 2.050 ======================= Grid point 117 (36/70) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.464 ( 0.000 0.000 21.204) 21.204 0.549 ( 0.000 0.000 25.118) 25.118 0.872 ( 0.000 0.000 39.308) 39.308 0.880 ( 0.000 0.000 -16.877) 16.877 1.042 ( 0.000 0.000 -19.533) 19.533 1.640 ( 0.000 0.000 -30.574) 30.574 2.045 ( 0.000 0.000 12.410) 12.410 2.308 ( 0.000 0.000 -10.880) 10.880 2.565 ( 0.000 0.000 0.197) 0.197 2.567 ( 0.000 0.000 -0.052) 0.052 2.617 ( 0.000 0.000 13.225) 13.225 2.867 ( 0.000 0.000 -8.903) 8.903 3.087 ( 0.000 0.000 5.152) 5.152 3.187 ( 0.000 0.000 -3.628) 3.628 3.430 ( 0.000 0.000 4.273) 4.273 3.469 ( 0.000 0.000 4.673) 4.673 4.061 ( 0.000 0.000 2.072) 2.072 4.285 ( 0.000 0.000 -13.549) 13.549 4.620 ( 0.000 0.000 6.765) 6.765 4.636 ( 0.000 0.000 3.062) 3.062 5.077 ( 0.000 0.000 -0.246) 0.246 5.167 ( 0.000 0.000 -5.229) 5.229 5.348 ( 0.000 0.000 6.081) 6.081 5.475 ( 0.000 0.000 -4.028) 4.028 5.533 ( 0.000 0.000 -1.835) 1.835 5.543 ( 0.000 0.000 -0.283) 0.283 5.859 ( 0.000 0.000 1.626) 1.626 5.903 ( 0.000 0.000 -2.192) 2.192 6.055 ( 0.000 0.000 1.271) 1.271 6.077 ( 0.000 0.000 -0.677) 0.677 6.095 ( 0.000 0.000 9.183) 9.183 6.284 ( 0.000 0.000 -8.222) 8.222 6.293 ( 0.000 0.000 0.027) 0.027 6.294 ( 0.000 0.000 -0.050) 0.050 6.573 ( 0.000 0.000 5.889) 5.889 6.712 ( 0.000 0.000 -7.187) 7.187 6.776 ( 0.000 0.000 2.985) 2.985 6.838 ( 0.000 0.000 -2.130) 2.130 7.060 ( 0.000 0.000 0.250) 0.250 7.066 ( 0.000 0.000 -0.264) 0.264 7.102 ( 0.000 0.000 1.032) 1.032 7.130 ( 0.000 0.000 -1.644) 1.644 7.335 ( 0.000 0.000 7.309) 7.309 7.460 ( 0.000 0.000 -4.084) 4.084 7.661 ( 0.000 0.000 0.815) 0.815 7.680 ( 0.000 0.000 -0.812) 0.812 8.070 ( 0.000 0.000 5.877) 5.877 8.232 ( 0.000 0.000 -8.279) 8.279 8.497 ( 0.000 0.000 7.110) 7.110 8.643 ( 0.000 0.000 -4.999) 4.999 8.672 ( 0.000 0.000 0.766) 0.766 8.691 ( 0.000 0.000 -0.866) 0.866 8.811 ( 0.000 0.000 0.470) 0.470 8.820 ( 0.000 0.000 -0.359) 0.359 8.837 ( 0.000 0.000 3.867) 3.867 8.951 ( 0.000 0.000 -6.796) 6.796 9.035 ( 0.000 0.000 0.983) 0.983 9.069 ( 0.000 0.000 -2.112) 2.112 9.374 ( 0.000 0.000 6.478) 6.478 9.501 ( 0.000 0.000 0.059) 0.059 9.502 ( 0.000 0.000 -0.059) 0.059 9.511 ( 0.000 0.000 -5.724) 5.724 9.818 ( 0.000 0.000 6.995) 6.995 9.927 ( 0.000 0.000 -3.060) 3.060 10.191 ( 0.000 0.000 2.476) 2.476 10.258 ( 0.000 0.000 -3.123) 3.123 11.952 ( 0.000 0.000 5.480) 5.480 12.109 ( 0.000 0.000 -8.733) 8.733 12.379 ( 0.000 0.000 0.943) 0.943 12.389 ( 0.000 0.000 -0.199) 0.199 12.527 ( 0.000 0.000 6.303) 6.303 12.640 ( 0.000 0.000 -3.819) 3.819 ======================= Grid point 118 (37/70) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( 15.150 0.000 15.967) 22.011 0.709 ( 19.909 0.000 13.353) 23.972 1.021 ( 12.833 0.000 -14.142) 19.096 1.092 ( 5.691 0.000 -20.655) 21.425 1.302 ( 32.168 0.000 24.288) 40.308 1.753 ( 10.163 0.000 -12.289) 15.947 2.053 ( 0.670 0.000 12.016) 12.034 2.310 ( 0.006 0.000 -10.933) 10.933 2.555 ( -0.882 0.000 0.705) 1.129 2.562 ( -0.365 0.000 -0.135) 0.389 2.676 ( 6.235 0.000 4.762) 7.845 2.870 ( 0.372 0.000 -9.800) 9.807 3.051 ( -3.523 0.000 5.015) 6.129 3.149 ( -3.772 0.000 -3.562) 5.188 3.252 ( -11.429 0.000 7.247) 13.533 3.423 ( -7.478 0.000 -6.709) 10.047 4.096 ( 0.950 0.000 8.378) 8.432 4.207 ( -3.602 0.000 0.997) 3.737 4.581 ( -3.262 0.000 9.844) 10.370 4.720 ( 6.858 0.000 -7.610) 10.244 4.810 ( -16.434 0.000 0.428) 16.440 4.958 ( -14.055 0.000 -9.912) 17.199 5.304 ( -4.993 0.000 0.952) 5.083 5.347 ( -9.744 0.000 -2.562) 10.075 5.661 ( 7.243 0.000 4.864) 8.725 5.722 ( 5.630 0.000 -0.623) 5.664 5.862 ( 0.250 0.000 1.552) 1.572 5.904 ( 0.132 0.000 -2.182) 2.186 5.951 ( -10.701 0.000 11.076) 15.401 6.040 ( -1.386 0.000 1.555) 2.083 6.068 ( -0.866 0.000 -0.933) 1.273 6.160 ( -11.979 0.000 -8.127) 14.475 6.295 ( 0.235 0.000 0.151) 0.279 6.299 ( 0.441 0.000 -0.140) 0.463 6.531 ( 2.186 0.000 4.425) 4.936 6.632 ( 3.738 0.000 -4.846) 6.121 6.793 ( 2.218 0.000 2.529) 3.364 6.851 ( 1.308 0.000 -2.093) 2.468 7.007 ( -4.733 0.000 0.132) 4.735 7.010 ( -4.946 0.000 -0.137) 4.948 7.196 ( 3.889 0.000 5.128) 6.436 7.244 ( 0.026 0.000 2.245) 2.245 7.511 ( 5.559 0.000 0.660) 5.598 7.702 ( 15.068 0.000 -20.923) 25.784 7.712 ( 4.429 0.000 0.650) 4.476 7.727 ( 4.126 0.000 -0.656) 4.178 8.198 ( 10.029 0.000 3.237) 10.538 8.338 ( 7.551 0.000 -7.204) 10.436 8.494 ( 0.115 0.000 6.098) 6.099 8.629 ( -1.109 0.000 -4.336) 4.476 8.665 ( -0.632 0.000 0.715) 0.955 8.682 ( -0.771 0.000 -0.794) 1.107 8.731 ( -2.567 0.000 2.205) 3.384 8.799 ( -7.387 0.000 -3.742) 8.280 8.811 ( 0.057 0.000 0.429) 0.432 8.820 ( -0.012 0.000 -0.339) 0.339 9.232 ( 7.312 0.000 2.725) 7.803 9.261 ( 11.146 0.000 0.559) 11.160 9.373 ( 5.982 0.000 5.014) 7.805 9.509 ( 0.775 0.000 0.050) 0.777 9.510 ( 0.756 0.000 -0.050) 0.758 9.533 ( 1.426 0.000 -7.373) 7.509 9.830 ( 1.110 0.000 6.511) 6.605 9.955 ( 2.693 0.000 -4.390) 5.150 10.198 ( 0.574 0.000 3.525) 3.572 10.280 ( 2.117 0.000 -3.700) 4.263 11.873 ( -11.166 0.000 8.040) 13.760 12.052 ( -8.663 0.000 -8.478) 12.122 12.335 ( -2.294 0.000 0.939) 2.479 12.346 ( -4.434 0.000 -0.108) 4.435 12.502 ( 1.617 0.000 4.715) 4.985 12.575 ( -0.344 0.000 -1.033) 1.089 ======================= Grid point 119 (38/70) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 21.939 0.000 4.270) 22.351 1.145 ( 22.348 0.000 7.069) 23.439 1.264 ( 11.604 0.000 -14.467) 18.545 1.333 ( 17.088 0.000 -9.563) 19.582 1.961 ( 22.178 0.000 10.128) 24.381 1.974 ( 17.158 0.000 9.304) 19.519 2.064 ( 0.076 0.000 10.465) 10.465 2.290 ( -2.723 0.000 -9.907) 10.274 2.543 ( 0.223 0.000 1.390) 1.408 2.559 ( 0.331 0.000 -0.346) 0.479 2.804 ( -0.767 0.000 -2.056) 2.195 2.902 ( 6.739 0.000 -11.611) 13.425 2.951 ( -6.259 0.000 4.399) 7.650 3.039 ( -7.093 0.000 -3.256) 7.805 3.109 ( 2.493 0.000 5.098) 5.675 3.287 ( -2.684 0.000 -10.030) 10.383 3.932 ( -15.079 0.000 13.182) 20.029 4.144 ( -10.937 0.000 -4.953) 12.007 4.492 ( -3.072 0.000 6.073) 6.806 4.571 ( -8.370 0.000 6.764) 10.761 4.669 ( -7.797 0.000 -3.323) 8.476 4.871 ( -1.079 0.000 -12.953) 12.998 5.168 ( -3.517 0.000 1.122) 3.692 5.198 ( -4.332 0.000 -2.072) 4.802 5.685 ( -8.554 0.000 4.222) 9.539 5.709 ( -4.219 0.000 2.892) 5.115 5.799 ( -2.222 0.000 3.445) 4.100 5.868 ( 0.288 0.000 1.347) 1.377 5.896 ( -12.620 0.000 -4.270) 13.323 5.906 ( -0.018 0.000 -2.160) 2.160 6.009 ( -1.473 0.000 2.059) 2.532 6.045 ( -1.259 0.000 -1.303) 1.812 6.303 ( 0.542 0.000 0.326) 0.632 6.310 ( 0.632 0.000 -0.264) 0.685 6.635 ( 6.655 0.000 4.521) 8.046 6.752 ( 6.522 0.000 -5.150) 8.310 6.875 ( 5.300 0.000 -0.772) 5.355 6.893 ( 2.824 0.000 -1.661) 3.277 6.897 ( -5.743 0.000 0.008) 5.743 6.897 ( -5.675 0.000 -0.009) 5.675 7.194 ( -2.581 0.000 3.642) 4.464 7.230 ( -1.174 0.000 1.190) 1.672 7.647 ( 6.927 0.000 4.414) 8.214 7.811 ( 4.934 0.000 0.389) 4.949 7.820 ( 4.649 0.000 -0.397) 4.666 7.846 ( 2.989 0.000 -12.936) 13.277 8.299 ( 0.048 0.000 3.089) 3.089 8.404 ( -1.055 0.000 -3.556) 3.709 8.507 ( 0.358 0.000 3.332) 3.351 8.587 ( -2.510 0.000 -2.254) 3.374 8.649 ( -0.888 0.000 0.561) 1.050 8.662 ( -1.148 0.000 -0.600) 1.295 8.734 ( 2.189 0.000 2.985) 3.701 8.813 ( 0.105 0.000 0.318) 0.334 8.820 ( -0.028 0.000 -0.271) 0.273 8.838 ( 9.924 0.000 -5.305) 11.253 9.242 ( -0.503 0.000 9.390) 9.403 9.424 ( 2.174 0.000 -5.552) 5.963 9.528 ( 1.053 0.000 0.031) 1.054 9.529 ( 1.030 0.000 -0.031) 1.030 9.582 ( 10.241 0.000 0.691) 10.264 9.621 ( 7.848 0.000 -1.964) 8.090 9.862 ( 2.121 0.000 6.402) 6.745 10.019 ( 2.663 0.000 -6.708) 7.217 10.243 ( 5.509 0.000 4.155) 6.900 10.336 ( 3.602 0.000 -4.456) 5.730 11.532 ( -20.412 0.000 8.771) 22.217 11.710 ( -22.403 0.000 -6.888) 23.437 12.335 ( 2.424 0.000 0.089) 2.425 12.349 ( 2.617 0.000 -1.040) 2.816 12.562 ( 3.123 0.000 2.764) 4.171 12.608 ( 1.895 0.000 -1.058) 2.170 ======================= Grid point 120 (39/70) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 21.402 0.000 -0.115) 21.402 1.545 ( 15.888 0.000 -4.675) 16.562 1.574 ( 20.042 0.000 3.116) 20.283 1.663 ( 15.073 0.000 -4.903) 15.851 2.037 ( -3.269 0.000 6.702) 7.457 2.044 ( -2.564 0.000 10.821) 11.121 2.177 ( -8.886 0.000 -5.682) 10.547 2.241 ( -6.727 0.000 -6.357) 9.256 2.578 ( 3.300 0.000 0.672) 3.368 2.590 ( 3.140 0.000 -0.402) 3.165 2.814 ( -6.978 0.000 2.907) 7.559 2.857 ( 12.931 0.000 9.667) 16.145 2.875 ( -8.771 0.000 -2.404) 9.095 3.082 ( 10.864 0.000 -10.185) 14.892 3.328 ( 11.129 0.000 1.925) 11.294 3.441 ( 17.259 0.000 -4.514) 17.839 3.610 ( -9.738 0.000 8.099) 12.666 3.791 ( -20.163 0.000 -8.680) 21.952 4.288 ( -18.238 0.000 8.605) 20.166 4.392 ( -13.457 0.000 -2.227) 13.640 4.643 ( 1.594 0.000 0.491) 1.668 4.741 ( -4.523 0.000 -6.166) 7.648 5.160 ( 1.350 0.000 2.342) 2.703 5.250 ( 5.858 0.000 -4.654) 7.481 5.490 ( -9.114 0.000 3.264) 9.681 5.548 ( -8.859 0.000 -1.448) 8.977 5.730 ( -3.839 0.000 3.671) 5.311 5.749 ( -3.760 0.000 1.883) 4.205 5.874 ( 0.362 0.000 0.920) 0.989 5.899 ( -0.678 0.000 -1.377) 1.535 5.991 ( -0.134 0.000 1.502) 1.508 6.021 ( -1.180 0.000 -1.090) 1.606 6.316 ( 0.666 0.000 0.277) 0.722 6.322 ( 0.472 0.000 -0.226) 0.524 6.772 ( 6.707 0.000 3.890) 7.753 6.798 ( -3.719 0.000 0.033) 3.719 6.799 ( -3.739 0.000 -0.037) 3.739 6.869 ( 4.548 0.000 -3.021) 5.460 6.950 ( 2.365 0.000 -1.177) 2.642 6.969 ( 3.402 0.000 -3.016) 4.546 7.134 ( -2.465 0.000 3.843) 4.565 7.194 ( -2.480 0.000 -0.562) 2.543 7.769 ( 5.026 0.000 1.365) 5.208 7.872 ( -0.097 0.000 -7.217) 7.217 7.893 ( 3.050 0.000 0.176) 3.055 7.898 ( 2.826 0.000 -0.178) 2.831 8.283 ( -0.513 0.000 2.247) 2.305 8.347 ( -3.287 0.000 -2.211) 3.962 8.491 ( -1.272 0.000 0.477) 1.358 8.532 ( -2.910 0.000 -2.471) 3.818 8.633 ( -0.577 0.000 0.312) 0.656 8.641 ( -0.925 0.000 -0.322) 0.979 8.815 ( 0.118 0.000 0.165) 0.204 8.819 ( -0.058 0.000 -0.153) 0.164 8.856 ( 8.097 0.000 9.079) 12.165 9.009 ( 5.084 0.000 -0.572) 5.116 9.255 ( 2.219 0.000 4.350) 4.883 9.411 ( -2.583 0.000 -6.443) 6.942 9.547 ( 0.719 0.000 0.013) 0.719 9.547 ( 0.702 0.000 -0.013) 0.702 9.736 ( 5.000 0.000 0.801) 5.064 9.750 ( 4.106 0.000 -0.529) 4.140 9.916 ( 3.108 0.000 3.352) 4.571 10.029 ( -1.429 0.000 -5.138) 5.333 10.446 ( 11.142 0.000 -0.019) 11.142 10.462 ( 12.800 0.000 -1.766) 12.922 11.111 ( -20.811 0.000 6.895) 21.923 11.248 ( -22.643 0.000 -5.122) 23.215 12.394 ( 2.910 0.000 0.399) 2.937 12.408 ( 2.644 0.000 -0.853) 2.778 12.607 ( 1.291 0.000 1.351) 1.868 12.627 ( 0.073 0.000 -0.374) 0.381 ======================= Grid point 121 (40/70) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( -5.239 0.000 1.460) 5.438 1.818 ( 5.239 0.000 1.460) 5.438 1.902 ( -3.033 0.000 0.333) 3.051 1.902 ( 3.033 0.000 0.333) 3.051 1.943 ( -8.870 0.000 -0.382) 8.879 1.943 ( 8.870 0.000 -0.382) 8.879 1.970 ( -10.891 0.000 -1.821) 11.042 1.970 ( 10.891 0.000 -1.821) 11.042 2.657 ( -1.964 0.000 0.376) 2.000 2.657 ( 1.964 0.000 0.376) 2.000 2.722 ( -3.481 0.000 -0.328) 3.496 2.722 ( 3.481 0.000 -0.328) 3.496 3.153 ( -14.789 0.000 7.945) 16.788 3.153 ( 14.789 0.000 7.945) 16.788 3.381 ( -17.167 0.000 -10.944) 20.359 3.381 ( 17.167 0.000 -10.944) 20.359 3.836 ( -16.634 0.000 6.256) 17.772 3.836 ( 16.634 0.000 6.256) 17.772 3.980 ( -18.603 0.000 -1.138) 18.638 3.980 ( 18.603 0.000 -1.138) 18.638 4.695 ( -2.547 0.000 -4.786) 5.422 4.695 ( 2.547 0.000 -4.786) 5.422 5.235 ( -5.907 0.000 1.051) 6.000 5.235 ( 5.907 0.000 1.051) 6.000 5.437 ( -3.713 0.000 -0.081) 3.714 5.437 ( 3.713 0.000 -0.081) 3.714 5.695 ( -0.742 0.000 3.230) 3.314 5.695 ( 0.742 0.000 3.230) 3.314 5.884 ( -0.702 0.000 0.028) 0.703 5.884 ( 0.702 0.000 0.028) 0.703 6.000 ( -0.832 0.000 -0.038) 0.833 6.000 ( 0.832 0.000 -0.038) 0.833 6.325 ( -0.174 0.000 0.013) 0.175 6.325 ( 0.174 0.000 0.013) 0.175 6.760 ( -0.025 0.000 -0.003) 0.025 6.760 ( 0.025 0.000 -0.003) 0.025 6.884 ( -3.569 0.000 2.304) 4.248 6.884 ( 3.569 0.000 2.304) 4.248 6.987 ( -1.306 0.000 -2.794) 3.084 6.987 ( 1.306 0.000 -2.794) 3.084 7.138 ( -2.595 0.000 0.417) 2.628 7.138 ( 2.595 0.000 0.417) 2.628 7.845 ( -2.608 0.000 -2.743) 3.785 7.845 ( 2.608 0.000 -2.743) 3.785 7.926 ( -0.099 0.000 0.000) 0.099 7.926 ( 0.099 0.000 0.000) 0.099 8.295 ( -1.733 0.000 -0.074) 1.735 8.295 ( 1.733 0.000 -0.074) 1.735 8.486 ( -1.160 0.000 -1.793) 2.135 8.486 ( 1.160 0.000 -1.793) 2.135 8.629 ( -0.192 0.000 -0.000) 0.192 8.629 ( 0.192 0.000 -0.000) 0.192 8.818 ( -0.096 0.000 0.000) 0.096 8.818 ( 0.096 0.000 0.000) 0.096 9.001 ( -5.115 0.000 9.730) 10.993 9.001 ( 5.115 0.000 9.730) 10.993 9.334 ( -4.727 0.000 -4.668) 6.644 9.334 ( 4.727 0.000 -4.668) 6.644 9.555 ( -0.007 0.000 0.000) 0.007 9.555 ( 0.007 0.000 0.000) 0.007 9.788 ( -0.284 0.000 0.286) 0.404 9.788 ( 0.284 0.000 0.286) 0.404 9.979 ( -3.133 0.000 -2.910) 4.276 9.979 ( 3.133 0.000 -2.910) 4.276 10.698 ( -11.449 0.000 2.527) 11.725 10.698 ( 11.449 0.000 2.527) 11.725 10.837 ( -14.297 0.000 -1.722) 14.401 10.837 ( 14.297 0.000 -1.722) 14.401 12.432 ( -0.505 0.000 0.040) 0.507 12.432 ( 0.505 0.000 0.040) 0.507 12.621 ( -0.436 0.000 0.251) 0.503 12.621 ( 0.436 0.000 0.251) 0.503 ======================= Grid point 126 (41/70) ======================= q-point: ( 0.00 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( 0.000 18.733 16.775) 25.146 0.782 ( 0.000 16.473 19.732) 25.705 1.155 ( 0.000 12.068 -14.762) 19.067 1.202 ( 0.000 20.311 -17.323) 26.695 1.321 ( 0.000 39.823 18.201) 43.785 1.754 ( 0.000 15.924 -13.609) 20.947 2.255 ( 0.000 17.472 4.141) 17.956 2.445 ( 0.000 8.201 -6.835) 10.675 2.625 ( 0.000 6.261 2.463) 6.728 2.648 ( 0.000 7.427 -0.096) 7.428 2.715 ( 0.000 10.649 5.135) 11.823 2.904 ( 0.000 4.366 -8.905) 9.918 3.269 ( 0.000 16.483 5.556) 17.394 3.389 ( 0.000 18.182 -4.902) 18.831 3.449 ( 0.000 2.598 4.997) 5.632 3.507 ( 0.000 3.995 4.279) 5.854 4.059 ( 0.000 0.081 2.033) 2.035 4.258 ( 0.000 -0.003 -10.040) 10.040 4.547 ( 0.000 -2.870 3.968) 4.897 4.580 ( 0.000 -3.397 4.483) 5.625 5.005 ( 0.000 -5.665 2.524) 6.202 5.132 ( 0.000 -3.246 -5.485) 6.374 5.294 ( 0.000 -3.003 4.548) 5.450 5.405 ( 0.000 -4.371 0.863) 4.455 5.433 ( 0.000 -3.448 -7.095) 7.888 5.443 ( 0.000 -6.607 -0.429) 6.621 5.882 ( 0.000 -0.557 0.917) 1.073 5.901 ( 0.000 -2.231 0.203) 2.240 5.977 ( 0.000 -3.838 9.290) 10.052 5.986 ( 0.000 -7.342 1.925) 7.590 6.021 ( 0.000 -4.512 -0.935) 4.608 6.167 ( 0.000 -5.839 -6.895) 9.035 6.435 ( 0.000 5.918 -2.131) 6.290 6.475 ( 0.000 2.490 -5.888) 6.393 6.771 ( 0.000 7.683 8.167) 11.212 6.872 ( 0.000 9.738 3.201) 10.251 6.874 ( 0.000 -0.258 -1.223) 1.249 6.943 ( 0.000 1.144 -2.020) 2.322 7.005 ( 0.000 -4.215 0.331) 4.228 7.022 ( 0.000 -3.934 -0.861) 4.027 7.104 ( 0.000 3.404 6.427) 7.272 7.298 ( 0.000 6.417 -1.196) 6.527 7.479 ( 0.000 1.708 -3.017) 3.467 7.550 ( 0.000 16.546 -18.987) 25.184 7.607 ( 0.000 -0.311 -4.456) 4.466 7.611 ( 0.000 -5.189 -0.253) 5.196 8.093 ( 0.000 2.782 4.092) 4.949 8.234 ( 0.000 -0.302 -7.471) 7.477 8.514 ( 0.000 -2.708 4.185) 4.984 8.560 ( 0.000 -9.437 -0.208) 9.440 8.613 ( 0.000 -5.499 1.367) 5.666 8.658 ( 0.000 -7.161 4.911) 8.683 8.672 ( 0.000 -1.865 -3.823) 4.253 8.808 ( 0.000 -6.055 -0.284) 6.062 8.824 ( 0.000 -2.419 -0.938) 2.595 8.826 ( 0.000 -0.386 -10.838) 10.845 9.047 ( 0.000 1.077 0.801) 1.342 9.079 ( 0.000 1.316 -2.281) 2.633 9.440 ( 0.000 6.085 7.860) 9.940 9.604 ( 0.000 8.266 -5.539) 9.950 9.641 ( 0.000 9.904 0.044) 9.904 9.648 ( 0.000 7.363 -1.659) 7.548 9.842 ( 0.000 2.000 6.142) 6.460 9.935 ( 0.000 0.511 -2.506) 2.557 10.253 ( 0.000 3.556 4.662) 5.864 10.344 ( 0.000 6.534 -3.479) 7.403 11.865 ( 0.000 -9.940 6.133) 11.680 12.021 ( 0.000 -10.046 -8.138) 12.929 12.359 ( 0.000 -1.914 0.877) 2.105 12.362 ( 0.000 -3.143 0.663) 3.212 12.403 ( 0.000 -8.616 3.900) 9.457 12.427 ( 0.000 -9.586 3.071) 10.066 ======================= Grid point 127 (42/70) ======================= q-point: ( 0.12 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 10.879 14.769 13.082) 22.530 0.985 ( 15.151 17.277 12.397) 26.110 1.202 ( 4.524 10.237 -17.627) 20.880 1.296 ( 9.731 19.223 -13.772) 25.571 1.604 ( 24.114 29.802 15.213) 41.244 1.855 ( 8.650 13.783 -1.367) 16.330 2.261 ( 0.560 16.779 6.518) 18.010 2.443 ( -0.136 9.930 -9.003) 13.404 2.641 ( -0.350 7.782 0.586) 7.812 2.650 ( 0.583 8.057 -0.339) 8.085 2.750 ( 5.467 8.519 2.278) 10.376 2.910 ( 0.804 4.795 -9.479) 10.653 3.232 ( -3.917 15.071 5.139) 16.397 3.280 ( -10.421 5.560 6.774) 13.616 3.349 ( -4.235 16.923 -4.264) 17.958 3.453 ( -7.724 3.591 -6.398) 10.653 4.090 ( 1.285 -0.195 8.870) 8.965 4.221 ( -2.826 1.658 -0.119) 3.279 4.543 ( -0.590 -2.235 8.199) 8.519 4.678 ( 5.825 -3.576 -8.101) 10.599 4.788 ( -13.699 -1.651 2.153) 13.965 4.943 ( -14.202 -1.212 -8.600) 16.647 5.253 ( -4.241 -4.249 0.880) 6.067 5.282 ( -7.792 -5.265 -1.360) 9.501 5.543 ( 6.506 -7.683 3.019) 10.511 5.594 ( 6.205 -6.223 -1.947) 9.001 5.843 ( -4.342 -3.986 5.127) 7.812 5.896 ( -1.068 -1.809 1.882) 2.820 5.916 ( -3.356 -1.431 1.116) 3.815 6.006 ( -0.817 -2.629 1.043) 2.944 6.033 ( 0.929 -5.105 -0.735) 5.241 6.087 ( -5.646 -4.370 -5.200) 8.833 6.457 ( 0.324 6.890 0.031) 6.897 6.517 ( 0.070 5.007 -5.493) 7.433 6.613 ( -9.192 8.223 4.575) 13.154 6.691 ( -8.652 5.734 -2.136) 10.597 6.843 ( 0.515 4.159 2.058) 4.669 6.883 ( -0.102 1.721 -1.250) 2.130 6.965 ( -2.556 -3.151 0.580) 4.098 6.977 ( -2.704 -2.040 -0.191) 3.393 7.206 ( 2.934 0.924 6.196) 6.917 7.277 ( -1.840 2.587 0.987) 3.325 7.526 ( 4.639 1.275 0.568) 4.845 7.588 ( 4.271 -6.193 -2.646) 7.975 7.660 ( 5.667 -3.822 1.635) 7.028 7.799 ( 6.915 2.190 -13.721) 15.520 8.225 ( 8.679 1.517 0.936) 8.860 8.324 ( 6.101 -2.373 -5.472) 8.533 8.502 ( -1.371 -3.573 2.521) 4.583 8.537 ( -2.840 -7.284 -0.503) 7.834 8.605 ( -0.804 -6.007 1.830) 6.331 8.625 ( -1.108 -3.186 1.699) 3.777 8.667 ( 1.720 0.106 -1.157) 2.076 8.778 ( -2.423 2.940 -6.089) 7.183 8.818 ( 1.355 -4.890 -0.450) 5.094 8.844 ( 0.877 -0.923 -3.487) 3.713 9.144 ( 6.942 -4.484 0.792) 8.302 9.174 ( 6.880 -4.637 -2.113) 8.562 9.393 ( -3.757 5.368 10.691) 12.539 9.575 ( -2.133 6.662 -5.560) 8.935 9.705 ( 6.417 11.110 -0.188) 12.832 9.717 ( 5.659 10.465 -1.833) 12.038 9.852 ( 1.025 1.758 5.758) 6.107 9.962 ( 2.570 0.518 -3.970) 4.758 10.243 ( -0.652 3.152 5.131) 6.057 10.347 ( 0.517 5.328 -4.200) 6.804 11.760 ( -11.317 -10.796 7.990) 17.563 11.930 ( -10.271 -12.147 -7.350) 17.523 12.307 ( -1.596 -2.332 0.906) 2.967 12.317 ( -2.761 -2.398 -0.111) 3.659 12.445 ( 3.400 -4.270 2.412) 5.967 12.474 ( 3.704 -6.519 0.594) 7.521 ======================= Grid point 128 (43/70) ======================= q-point: ( 0.25 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 157 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 19.075 9.105 4.446) 21.599 1.311 ( 14.232 10.081 -3.684) 17.825 1.385 ( 15.977 13.076 -0.903) 20.666 1.554 ( 14.875 16.398 -9.319) 24.021 2.026 ( 7.357 9.844 10.934) 16.449 2.120 ( 22.195 15.898 4.070) 27.603 2.276 ( 0.830 15.875 8.373) 17.967 2.434 ( -0.493 12.366 -6.495) 13.977 2.627 ( -1.460 7.296 1.359) 7.563 2.639 ( -1.034 7.181 -0.072) 7.255 2.896 ( 2.332 10.105 -2.975) 10.789 2.962 ( 6.329 7.422 -8.597) 13.002 3.135 ( 0.336 6.156 5.048) 7.968 3.144 ( -2.731 13.708 2.605) 14.218 3.227 ( -7.978 16.601 -3.595) 18.766 3.310 ( -3.124 2.566 -9.642) 10.455 3.941 ( -15.016 1.064 12.731) 19.715 4.142 ( -10.875 0.028 -4.378) 11.723 4.504 ( -2.672 1.201 5.057) 5.844 4.545 ( -7.033 -2.576 7.944) 10.918 4.656 ( -8.221 -0.684 -4.356) 9.328 4.825 ( -1.224 -4.066 -12.510) 13.211 5.137 ( -2.193 -2.724 1.738) 3.905 5.175 ( -3.319 -1.977 -2.251) 4.471 5.571 ( -4.611 -9.023 4.568) 11.114 5.628 ( -3.332 -5.970 -0.430) 6.851 5.745 ( -3.035 -4.248 3.679) 6.386 5.808 ( -8.860 -4.461 -1.666) 10.058 5.890 ( -0.250 -1.596 -0.393) 1.662 5.916 ( -2.196 -0.037 -1.536) 2.680 6.037 ( 0.052 1.360 1.996) 2.416 6.068 ( 0.491 0.435 -0.915) 1.126 6.392 ( -3.899 6.598 0.223) 7.667 6.399 ( -5.147 6.612 -0.176) 8.381 6.610 ( 3.815 -1.725 3.530) 5.477 6.710 ( 3.369 -3.757 -4.941) 7.063 6.865 ( 0.062 0.138 0.321) 0.354 6.889 ( 0.798 0.006 -2.046) 2.197 6.923 ( 0.228 2.191 1.254) 2.535 6.949 ( 0.474 2.429 -0.999) 2.669 7.196 ( -2.701 -0.193 3.614) 4.516 7.239 ( -1.929 0.556 0.561) 2.085 7.627 ( 4.761 -1.658 2.124) 5.470 7.684 ( 4.603 -7.553 -1.873) 9.041 7.790 ( 6.648 -1.777 2.006) 7.168 7.893 ( 3.566 0.051 -7.506) 8.310 8.308 ( -0.104 -0.015 2.190) 2.192 8.382 ( -0.210 -4.111 -2.832) 4.996 8.454 ( -2.942 -6.820 0.936) 7.486 8.464 ( -3.954 -5.938 -0.655) 7.164 8.605 ( 0.489 -4.464 1.057) 4.614 8.629 ( 0.536 -2.404 0.328) 2.485 8.698 ( 2.009 1.979 2.593) 3.830 8.816 ( 2.599 0.535 -2.900) 3.930 8.853 ( 0.622 -1.492 -2.005) 2.575 8.884 ( 6.720 2.196 -3.598) 7.933 9.259 ( 4.227 -8.308 1.103) 9.386 9.287 ( 4.064 -9.421 -1.520) 10.372 9.331 ( -1.726 2.967 11.397) 11.903 9.531 ( -2.160 5.565 -6.340) 8.708 9.845 ( 6.870 10.737 1.544) 12.840 9.862 ( 7.012 12.285 -0.756) 14.165 9.882 ( 2.014 3.585 4.264) 5.924 10.021 ( 2.559 0.209 -6.699) 7.174 10.263 ( 4.244 1.599 5.098) 6.824 10.372 ( 2.299 2.924 -4.925) 6.172 11.445 ( -18.653 -8.193 8.120) 21.932 11.610 ( -19.954 -9.527 -6.316) 22.996 12.311 ( 1.987 -2.087 0.073) 2.882 12.322 ( 2.069 -2.328 -0.741) 3.202 12.513 ( 2.992 -4.342 1.858) 5.590 12.542 ( 2.525 -5.650 -0.465) 6.206 ======================= Grid point 129 (44/70) ======================= q-point: ( 0.38 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 19.151 5.068 0.214) 19.812 1.586 ( 14.211 6.022 -3.980) 15.939 1.754 ( 17.969 12.715 3.671) 22.317 1.843 ( 12.391 13.004 -3.970) 18.396 2.099 ( 0.162 10.489 6.578) 12.382 2.247 ( -6.617 8.613 -5.748) 12.289 2.265 ( -2.663 16.375 7.760) 18.316 2.420 ( -8.727 15.182 -3.426) 17.843 2.623 ( 5.841 4.226 1.382) 7.341 2.657 ( 3.525 5.629 -1.263) 6.761 2.942 ( -5.160 11.305 2.939) 12.770 2.974 ( 3.786 12.999 3.397) 13.958 3.044 ( -7.399 13.584 -0.863) 15.492 3.156 ( 7.884 7.316 -7.929) 13.362 3.367 ( 9.792 4.315 1.903) 10.868 3.471 ( 17.903 3.478 -3.975) 18.666 3.630 ( -8.122 2.436 7.569) 11.367 3.800 ( -18.852 1.330 -8.102) 20.562 4.284 ( -17.528 -0.387 9.112) 19.759 4.399 ( -13.344 0.718 -2.533) 13.601 4.631 ( 2.200 -0.898 0.344) 2.401 4.719 ( -3.450 -1.747 -5.932) 7.081 5.151 ( 1.775 -0.822 1.755) 2.628 5.222 ( 6.138 -2.515 -3.534) 7.516 5.432 ( -7.705 -5.349 3.156) 9.897 5.490 ( -7.641 -4.788 -1.854) 9.206 5.662 ( -4.626 -5.281 2.636) 7.500 5.682 ( -4.066 -5.698 0.911) 7.059 5.891 ( 0.171 0.429 0.966) 1.070 5.901 ( -0.196 -0.058 0.233) 0.310 6.043 ( 0.571 3.860 1.231) 4.091 6.069 ( -0.370 3.253 -1.066) 3.443 6.342 ( -1.123 2.025 0.295) 2.334 6.345 ( -1.112 2.581 -0.004) 2.811 6.679 ( 2.331 -4.165 2.090) 5.210 6.728 ( -1.061 -4.342 -1.690) 4.778 6.876 ( 1.403 2.353 0.786) 2.850 6.910 ( 2.771 1.786 -1.323) 3.552 6.974 ( 2.156 1.519 -0.474) 2.680 6.987 ( 2.640 1.521 -2.844) 4.168 7.131 ( -2.918 -0.445 3.692) 4.726 7.192 ( -2.866 -0.405 -0.809) 3.005 7.709 ( 3.322 -4.116 0.093) 5.290 7.751 ( 1.808 -6.487 -2.736) 7.269 7.907 ( 4.654 -0.067 1.356) 4.848 7.952 ( 2.160 0.775 -2.823) 3.639 8.280 ( -1.535 -0.267 1.792) 2.375 8.336 ( -3.761 -0.972 -2.320) 4.525 8.397 ( -1.565 -8.047 0.286) 8.203 8.412 ( -1.817 -9.373 -0.644) 9.569 8.612 ( 0.226 -2.726 0.364) 2.759 8.622 ( -0.580 -1.934 -0.388) 2.056 8.758 ( 1.961 -1.462 3.277) 4.090 8.814 ( -1.467 -0.676 -2.509) 2.984 8.909 ( 5.494 1.180 5.351) 7.759 9.020 ( 4.398 0.749 -1.721) 4.782 9.316 ( 1.579 -10.943 1.111) 11.112 9.320 ( 0.448 -2.517 6.372) 6.866 9.356 ( 2.984 -4.694 -1.629) 5.796 9.485 ( -2.674 5.494 -5.668) 8.335 9.916 ( 2.464 0.219 2.782) 3.723 9.958 ( 2.889 11.431 -0.335) 11.795 9.964 ( 3.491 12.726 0.396) 13.202 10.032 ( -1.390 0.931 -4.888) 5.166 10.455 ( 13.937 0.017 -0.121) 13.938 10.467 ( 8.138 0.800 -1.523) 8.318 11.058 ( -19.162 -5.126 6.871) 20.992 11.193 ( -20.795 -5.347 -4.984) 22.042 12.361 ( 2.456 -2.938 0.271) 3.839 12.371 ( 2.273 -3.269 -0.615) 4.029 12.555 ( 1.216 -4.763 1.007) 5.018 12.569 ( 0.393 -5.284 -0.192) 5.302 ======================= Grid point 130 (45/70) ======================= q-point: (-0.50 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( -0.959 2.700 -0.182) 2.871 1.806 ( 0.959 2.700 -0.182) 2.871 1.949 ( -2.164 4.625 -0.646) 5.147 1.949 ( 2.164 4.625 -0.646) 5.147 2.143 ( -3.648 16.812 1.181) 17.244 2.143 ( 3.648 16.812 1.181) 17.244 2.202 ( -6.173 18.411 0.410) 19.423 2.202 ( 6.173 18.411 0.410) 19.423 2.730 ( -1.614 6.099 -0.419) 6.323 2.730 ( 1.614 6.099 -0.419) 6.323 2.852 ( -3.524 11.221 -0.550) 11.774 2.852 ( 3.524 11.221 -0.550) 11.774 3.205 ( -12.749 5.963 7.086) 15.758 3.205 ( 12.749 5.963 7.086) 15.758 3.406 ( -15.883 2.929 -10.471) 19.248 3.406 ( 15.883 2.929 -10.471) 19.248 3.873 ( -19.692 3.384 7.342) 21.287 3.873 ( 19.692 3.384 7.342) 21.287 3.993 ( -22.118 1.769 -2.175) 22.295 3.993 ( 22.118 1.769 -2.175) 22.295 4.684 ( -2.184 -0.763 -4.158) 4.758 4.684 ( 2.184 -0.763 -4.158) 4.758 5.226 ( -5.466 -0.979 1.542) 5.763 5.226 ( 5.466 -0.979 1.542) 5.763 5.386 ( -4.048 -4.228 -0.818) 5.910 5.386 ( 4.048 -4.228 -0.818) 5.910 5.620 ( -0.955 -6.407 2.048) 6.794 5.620 ( 0.955 -6.407 2.048) 6.794 5.896 ( -0.322 0.674 0.884) 1.157 5.896 ( 0.322 0.674 0.884) 1.157 6.057 ( -0.728 4.278 -0.124) 4.342 6.057 ( 0.728 4.278 -0.124) 4.342 6.335 ( -0.127 1.054 0.191) 1.078 6.335 ( 0.127 1.054 0.191) 1.078 6.705 ( -0.915 -3.423 0.238) 3.551 6.705 ( 0.915 -3.423 0.238) 3.551 6.926 ( -2.111 2.142 0.927) 3.147 6.926 ( 2.111 2.142 0.927) 3.147 7.003 ( -0.904 0.953 -1.521) 2.010 7.003 ( 0.904 0.953 -1.521) 2.010 7.129 ( -2.769 -0.854 0.013) 2.898 7.129 ( 2.769 -0.854 0.013) 2.898 7.755 ( -1.204 -5.451 -2.053) 5.948 7.755 ( 1.204 -5.451 -2.053) 5.948 7.966 ( -1.110 1.200 0.118) 1.639 7.966 ( 1.110 1.200 0.118) 1.639 8.276 ( -1.525 -1.618 -0.432) 2.265 8.276 ( 1.525 -1.618 -0.432) 2.265 8.388 ( -0.460 -8.396 -0.519) 8.424 8.388 ( 0.460 -8.396 -0.519) 8.424 8.615 ( -0.158 -1.576 0.113) 1.588 8.615 ( 0.158 -1.576 0.113) 1.588 8.784 ( -1.275 -1.995 -0.392) 2.400 8.784 ( 1.275 -1.995 -0.392) 2.400 9.021 ( -3.981 0.560 6.262) 7.441 9.021 ( 3.981 0.560 6.262) 7.441 9.328 ( -0.158 -10.067 2.023) 10.269 9.328 ( 0.158 -10.067 2.023) 10.269 9.422 ( -3.481 3.511 -4.444) 6.648 9.422 ( 3.481 3.511 -4.444) 6.648 9.973 ( -2.475 0.256 -2.358) 3.428 9.973 ( 2.475 0.256 -2.358) 3.428 9.997 ( -0.539 11.684 -0.178) 11.697 9.997 ( 0.539 11.684 -0.178) 11.697 10.691 ( -11.524 -0.979 2.954) 11.937 10.691 ( 11.524 -0.979 2.954) 11.937 10.806 ( -14.948 -3.015 -2.120) 15.395 10.806 ( 14.948 -3.015 -2.120) 15.395 12.393 ( -0.366 -3.521 0.028) 3.540 12.393 ( 0.366 -3.521 0.028) 3.540 12.568 ( -0.311 -4.947 0.226) 4.962 12.568 ( 0.311 -4.947 0.226) 4.962 ======================= Grid point 135 (46/70) ======================= q-point: ( 0.00 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 0.000 18.853 14.852) 24.001 1.225 ( 0.000 25.139 9.711) 26.950 1.487 ( 0.000 19.638 -12.601) 23.334 1.505 ( 0.000 12.371 -17.412) 21.360 2.222 ( 0.000 44.504 8.721) 45.351 2.278 ( 0.000 26.932 7.547) 27.970 2.558 ( 0.000 4.221 5.739) 7.124 2.677 ( 0.000 24.006 -8.657) 25.519 2.836 ( 0.000 12.470 -2.767) 12.773 2.840 ( 0.000 10.753 -1.723) 10.890 3.008 ( 0.000 15.500 0.698) 15.516 3.076 ( 0.000 12.323 -6.951) 14.148 3.552 ( 0.000 9.503 4.099) 10.349 3.638 ( 0.000 10.238 1.620) 10.366 3.694 ( 0.000 21.271 7.730) 22.632 3.851 ( 0.000 22.103 -5.538) 22.787 4.086 ( 0.000 4.240 1.411) 4.469 4.290 ( 0.000 2.079 -12.186) 12.362 4.515 ( 0.000 -1.788 5.835) 6.103 4.569 ( 0.000 6.253 0.400) 6.266 4.891 ( 0.000 -5.178 7.112) 8.797 5.036 ( 0.000 -5.925 -4.535) 7.461 5.245 ( 0.000 -2.384 2.909) 3.761 5.304 ( 0.000 -6.009 0.586) 6.038 5.309 ( 0.000 -6.142 0.623) 6.174 5.371 ( 0.000 -2.690 -8.620) 9.029 5.793 ( 0.000 -8.089 2.647) 8.511 5.813 ( 0.000 -6.724 5.158) 8.475 5.838 ( 0.000 -6.249 1.261) 6.375 5.859 ( 0.000 -6.510 -1.932) 6.790 5.927 ( 0.000 -4.863 1.331) 5.042 6.024 ( 0.000 -8.077 -5.020) 9.510 6.489 ( 0.000 -1.094 -1.309) 1.706 6.520 ( 0.000 1.758 -3.447) 3.870 6.710 ( 0.000 -11.625 2.203) 11.832 6.739 ( 0.000 -8.178 -0.926) 8.230 6.874 ( 0.000 -8.134 0.460) 8.147 6.892 ( 0.000 -8.571 -0.971) 8.626 7.049 ( 0.000 9.884 1.658) 10.022 7.074 ( 0.000 8.996 -0.320) 9.001 7.277 ( 0.000 6.471 10.460) 12.300 7.358 ( 0.000 0.928 0.952) 1.330 7.499 ( 0.000 -3.444 1.950) 3.957 7.513 ( 0.000 -0.712 1.442) 1.608 7.556 ( 0.000 3.283 1.122) 3.470 7.771 ( 0.000 1.603 -11.884) 11.991 8.164 ( 0.000 1.490 -3.535) 3.837 8.202 ( 0.000 -3.289 -4.369) 5.468 8.311 ( 0.000 -11.199 0.649) 11.218 8.321 ( 0.000 -11.209 -0.311) 11.213 8.481 ( 0.000 -7.901 3.567) 8.669 8.544 ( 0.000 -4.399 3.726) 5.765 8.553 ( 0.000 -11.799 -2.073) 11.980 8.688 ( 0.000 0.897 -11.461) 11.496 8.888 ( 0.000 7.048 1.172) 7.144 8.950 ( 0.000 6.943 -5.286) 8.726 9.084 ( 0.000 2.735 1.010) 2.915 9.122 ( 0.000 2.859 -2.606) 3.868 9.559 ( 0.000 4.505 7.835) 9.038 9.707 ( 0.000 0.418 -0.664) 0.785 9.764 ( 0.000 3.893 2.402) 4.574 9.828 ( 0.000 7.465 -1.122) 7.548 9.906 ( 0.000 4.521 1.438) 4.744 9.944 ( 0.000 0.531 -1.503) 1.594 10.271 ( 0.000 -1.612 8.716) 8.864 10.433 ( 0.000 0.738 -5.487) 5.537 11.562 ( 0.000 -17.838 4.519) 18.401 11.674 ( 0.000 -21.951 -5.176) 22.553 12.285 ( 0.000 -3.406 0.346) 3.424 12.290 ( 0.000 -2.632 -0.222) 2.642 12.313 ( 0.000 -2.123 1.815) 2.793 12.336 ( 0.000 -2.672 0.000) 2.672 ======================= Grid point 136 (47/70) ======================= q-point: ( 0.12 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 7.033 20.225 10.407) 23.808 1.346 ( 10.842 19.467 9.902) 24.384 1.485 ( 2.857 16.584 -13.490) 21.568 1.620 ( 8.899 14.295 -12.273) 20.837 2.306 ( 2.566 23.737 8.849) 25.463 2.358 ( 11.792 39.110 5.222) 41.182 2.551 ( -0.161 7.665 6.085) 9.788 2.707 ( 1.535 18.534 -7.366) 20.003 2.849 ( 0.909 11.941 0.612) 11.992 2.883 ( 2.459 15.204 -1.237) 15.451 3.010 ( 2.756 13.940 -0.294) 14.213 3.087 ( 1.647 12.191 -8.233) 14.802 3.428 ( -7.746 13.011 3.599) 15.564 3.565 ( -8.153 9.823 -6.991) 14.554 3.655 ( -4.038 21.007 6.886) 22.473 3.808 ( -4.993 22.693 -5.964) 23.989 4.109 ( 2.060 3.308 9.018) 9.824 4.277 ( -3.458 3.666 -0.457) 5.060 4.525 ( -0.306 0.354 1.816) 1.875 4.613 ( 3.344 -0.847 -4.907) 5.998 4.754 ( -9.799 -1.443 4.462) 10.863 4.909 ( -12.778 -2.122 -7.578) 15.006 5.145 ( -5.301 -5.892 1.190) 8.015 5.170 ( -3.797 -5.212 -0.865) 6.506 5.393 ( 2.632 -6.828 4.453) 8.566 5.492 ( 3.952 -4.483 -4.068) 7.230 5.730 ( -4.485 -6.550 5.910) 9.896 5.812 ( -0.709 -5.591 -0.707) 5.680 5.850 ( -1.581 -5.088 0.323) 5.338 5.881 ( -0.330 -9.034 -2.879) 9.487 5.946 ( 3.654 -4.275 1.473) 5.814 5.982 ( -1.195 -5.572 -1.505) 5.893 6.516 ( 1.820 -2.931 -1.703) 3.848 6.522 ( 0.352 -0.166 -1.807) 1.849 6.687 ( -4.756 -4.741 1.543) 6.890 6.711 ( -3.891 -2.689 -0.860) 4.807 6.827 ( -1.514 -5.473 0.525) 5.703 6.848 ( -2.899 -4.516 -1.179) 5.494 7.006 ( -2.471 6.532 1.346) 7.112 7.022 ( -3.472 5.951 -0.049) 6.890 7.231 ( -2.157 1.828 6.212) 6.825 7.326 ( -3.578 2.096 -1.275) 4.338 7.481 ( 1.395 -3.421 2.140) 4.269 7.537 ( 2.148 -1.830 -1.971) 3.441 7.629 ( 5.985 2.032 5.896) 8.644 7.804 ( 2.466 -1.159 -7.864) 8.323 8.183 ( 1.338 -6.948 -0.399) 7.087 8.207 ( 0.097 -7.988 -1.539) 8.136 8.371 ( 3.174 -5.874 -0.678) 6.711 8.388 ( 4.214 -7.504 -1.779) 8.788 8.506 ( 1.276 -3.971 1.988) 4.621 8.548 ( 0.659 -4.784 0.388) 4.845 8.628 ( 5.891 -6.571 1.017) 8.884 8.727 ( 5.116 0.379 -7.909) 9.427 8.844 ( -3.591 4.717 0.918) 5.999 8.906 ( -3.397 5.877 -5.268) 8.592 9.114 ( 2.086 0.916 0.575) 2.350 9.142 ( 1.634 0.909 -2.175) 2.868 9.496 ( -4.630 3.599 11.347) 12.773 9.684 ( -2.311 3.165 -5.461) 6.722 9.843 ( 5.059 0.967 3.785) 6.392 9.891 ( 5.622 6.264 0.167) 8.419 9.929 ( 4.209 6.239 0.352) 7.534 9.971 ( 2.482 0.566 -3.284) 4.155 10.273 ( -0.046 -0.723 7.817) 7.850 10.426 ( -0.656 0.928 -5.667) 5.780 11.468 ( -9.248 -16.696 4.977) 19.725 11.580 ( -8.885 -20.554 -4.724) 22.885 12.261 ( -0.985 -2.023 0.194) 2.258 12.268 ( -0.899 -2.297 -0.312) 2.486 12.358 ( 2.765 -4.007 1.027) 4.976 12.370 ( 2.395 -4.021 0.185) 4.684 ======================= Grid point 137 (48/70) ======================= q-point: ( 0.25 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 157 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( 13.900 16.749 5.182) 22.374 1.572 ( 10.047 15.796 -5.401) 19.484 1.664 ( 15.630 13.653 4.298) 21.194 1.843 ( 12.663 12.160 -7.278) 19.005 2.369 ( 3.542 19.245 7.025) 20.791 2.536 ( -0.276 11.609 -4.701) 12.527 2.595 ( 7.142 22.569 6.401) 24.523 2.727 ( 1.127 14.164 -2.332) 14.399 2.840 ( -4.383 12.909 2.287) 13.823 2.863 ( -0.646 17.099 2.430) 17.283 3.142 ( 7.540 9.912 -0.299) 12.457 3.217 ( 9.470 14.978 -6.218) 18.780 3.334 ( 1.197 18.918 -0.199) 18.957 3.428 ( -2.128 12.295 -7.628) 14.624 3.523 ( -8.560 17.530 4.472) 20.014 3.642 ( -11.565 19.927 -5.438) 23.672 4.006 ( -12.827 7.086 11.039) 18.347 4.168 ( -9.578 4.026 -2.143) 10.609 4.471 ( -5.910 -4.194 7.345) 10.318 4.544 ( -3.531 2.367 2.358) 4.861 4.659 ( -7.548 1.109 -4.563) 8.889 4.727 ( -0.802 -4.744 -10.978) 11.986 5.072 ( -0.248 -3.274 3.515) 4.811 5.132 ( -0.755 -1.810 -2.564) 3.228 5.376 ( -3.684 -9.387 6.269) 11.874 5.498 ( -3.554 -6.559 -4.711) 8.823 5.648 ( -4.136 -4.816 3.680) 7.338 5.702 ( -8.148 -5.674 -1.460) 10.035 5.824 ( 0.679 -4.690 1.849) 5.087 5.884 ( 0.852 -3.185 -2.681) 4.249 6.023 ( 3.258 -4.793 1.150) 5.908 6.029 ( 3.759 -2.698 0.700) 4.680 6.490 ( -5.004 1.621 -0.286) 5.268 6.502 ( -5.044 1.758 -1.027) 5.439 6.588 ( 0.044 -0.276 2.033) 2.052 6.639 ( -0.132 -2.143 -2.300) 3.147 6.835 ( 0.935 -3.728 -0.765) 3.919 6.845 ( 1.681 -4.472 -1.513) 5.012 6.989 ( 0.339 3.235 0.656) 3.319 6.991 ( 0.530 1.786 0.439) 1.914 7.182 ( -3.104 -0.348 3.493) 4.686 7.248 ( -3.882 0.573 -1.259) 4.121 7.548 ( 4.119 -4.995 1.949) 6.761 7.596 ( 3.317 -2.487 -1.881) 4.553 7.756 ( 6.602 -0.656 4.233) 7.870 7.864 ( 3.480 -2.031 -4.770) 6.244 8.203 ( 0.490 -9.942 0.389) 9.961 8.209 ( 0.140 -8.602 -0.272) 8.607 8.378 ( -2.452 0.016 0.763) 2.568 8.425 ( -1.675 -1.777 -3.122) 3.964 8.516 ( 0.285 -3.770 0.861) 3.877 8.548 ( 0.264 -5.452 -1.075) 5.563 8.742 ( 1.242 -5.150 2.426) 5.826 8.780 ( 2.806 4.058 5.003) 7.027 8.800 ( -1.500 -2.716 -4.532) 5.492 8.938 ( 7.105 2.662 -6.743) 10.151 9.128 ( -0.801 -2.619 1.609) 3.176 9.173 ( 1.483 -1.708 -2.685) 3.510 9.425 ( -1.710 3.478 12.542) 13.127 9.635 ( -2.308 3.586 -6.329) 7.632 9.888 ( 1.152 0.167 3.763) 3.939 10.003 ( 2.091 0.008 -5.379) 5.772 10.061 ( 7.423 5.794 0.184) 9.419 10.078 ( 8.287 6.765 -1.085) 10.752 10.283 ( 2.406 -0.241 6.442) 6.881 10.418 ( 0.325 0.559 -5.817) 5.853 11.215 ( -14.990 -13.636 6.283) 21.215 11.342 ( -14.266 -15.773 -4.751) 21.792 12.262 ( 1.050 -2.397 0.003) 2.617 12.269 ( 0.945 -2.593 -0.422) 2.791 12.406 ( 1.867 -5.793 0.626) 6.118 12.413 ( 1.679 -6.189 0.200) 6.416 ======================= Grid point 138 (49/70) ======================= q-point: ( 0.38 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( 15.122 12.326 2.096) 19.621 1.794 ( 11.619 13.796 -4.107) 18.499 1.990 ( 14.141 10.316 4.225) 18.007 2.071 ( 7.664 10.378 -1.750) 13.019 2.444 ( 3.959 16.990 0.553) 17.454 2.476 ( -3.409 12.166 -1.574) 12.732 2.662 ( -0.204 20.639 7.448) 21.942 2.727 ( -4.265 12.530 3.572) 13.709 2.793 ( 2.095 8.655 -3.699) 9.643 2.837 ( 0.743 17.512 -5.142) 18.266 3.186 ( -8.622 10.034 3.618) 13.715 3.301 ( -2.729 8.700 -4.900) 10.351 3.323 ( 1.727 17.241 -0.158) 17.327 3.372 ( -8.741 11.739 -2.605) 14.865 3.558 ( 6.892 15.904 1.673) 17.414 3.625 ( 15.791 12.595 -3.245) 20.458 3.760 ( -5.459 12.160 6.320) 14.752 3.884 ( -13.390 8.100 -5.617) 16.626 4.280 ( -13.279 0.699 9.622) 16.413 4.420 ( -11.609 1.310 -3.448) 12.181 4.625 ( 2.700 0.807 0.238) 2.828 4.694 ( -0.807 0.045 -5.459) 5.518 5.119 ( 2.941 -2.578 1.812) 4.310 5.172 ( 5.093 -1.447 -2.394) 5.811 5.292 ( -3.986 -7.633 4.089) 9.532 5.377 ( -6.392 -5.906 -3.625) 9.427 5.547 ( -5.576 -6.755 1.300) 8.855 5.554 ( -6.500 -4.790 0.622) 8.098 5.865 ( 2.466 -2.471 2.427) 4.252 5.901 ( 0.530 -0.600 -0.106) 0.808 6.077 ( 1.967 -2.831 -0.063) 3.448 6.085 ( 1.735 -1.800 -0.387) 2.529 6.399 ( -2.961 3.131 0.667) 4.361 6.409 ( -3.175 3.422 0.168) 4.671 6.629 ( 2.390 -1.175 0.694) 2.752 6.658 ( 0.881 -2.533 -1.599) 3.123 6.863 ( 2.331 -3.332 0.034) 4.066 6.895 ( 3.205 -3.520 -2.489) 5.372 6.999 ( 0.320 0.907 0.551) 1.109 7.014 ( 0.533 0.911 -0.924) 1.403 7.115 ( -2.807 -0.936 3.165) 4.333 7.172 ( -3.725 -1.462 -1.013) 4.128 7.621 ( 2.859 -4.955 0.326) 5.730 7.650 ( 1.706 -3.957 -1.856) 4.691 7.884 ( 5.911 -0.901 2.525) 6.490 7.939 ( 3.632 -0.986 -2.151) 4.335 8.206 ( 0.027 -8.765 0.254) 8.769 8.211 ( -0.064 -7.785 -0.153) 7.786 8.292 ( -4.994 0.191 0.827) 5.066 8.329 ( -6.173 -0.013 -2.187) 6.549 8.540 ( 1.509 -4.004 0.563) 4.316 8.559 ( 0.642 -4.482 -0.590) 4.566 8.730 ( 0.087 -2.701 1.180) 2.949 8.775 ( -1.259 -2.398 -2.953) 4.007 8.880 ( 4.456 -3.665 6.304) 8.546 9.011 ( -0.624 -1.948 -4.709) 5.134 9.121 ( 1.590 -4.448 4.644) 6.624 9.223 ( 2.169 -0.400 -2.253) 3.153 9.431 ( 2.520 3.027 6.783) 7.844 9.589 ( -2.646 3.701 -5.432) 7.086 9.912 ( 1.499 -0.608 2.230) 2.755 10.003 ( -1.676 -1.483 -5.060) 5.533 10.170 ( 2.763 6.584 0.632) 7.169 10.186 ( 2.601 7.304 -0.582) 7.775 10.433 ( 11.694 -2.212 1.009) 11.944 10.472 ( 6.102 -1.145 -2.552) 6.713 10.907 ( -14.985 -9.322 6.791) 18.910 11.034 ( -15.977 -9.897 -4.501) 19.325 12.292 ( 1.511 -3.355 0.053) 3.679 12.296 ( 1.402 -3.605 -0.267) 3.878 12.430 ( 0.627 -6.942 0.356) 6.980 12.433 ( 0.413 -7.344 0.173) 7.358 ======================= Grid point 139 (50/70) ======================= q-point: (-0.50 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( -2.492 10.197 -0.061) 10.497 1.943 ( 2.492 10.197 -0.061) 10.497 2.101 ( -0.828 10.160 -0.648) 10.214 2.101 ( 0.828 10.160 -0.648) 10.214 2.512 ( -4.249 15.301 1.940) 15.998 2.512 ( 4.249 15.301 1.940) 15.998 2.619 ( -0.206 20.839 3.672) 21.161 2.619 ( 0.206 20.839 3.672) 21.161 2.882 ( -0.586 9.925 -3.766) 10.632 2.882 ( 0.586 9.925 -3.766) 10.632 3.059 ( -6.171 6.466 -1.547) 9.071 3.059 ( 6.171 6.466 -1.547) 9.071 3.435 ( -8.517 15.295 2.749) 17.721 3.435 ( 8.517 15.295 2.749) 17.721 3.533 ( -12.749 9.929 -5.641) 17.116 3.533 ( 12.749 9.929 -5.641) 17.116 3.951 ( -12.167 4.437 6.254) 14.382 3.951 ( 12.167 4.437 6.254) 14.382 4.108 ( -15.152 10.603 -1.862) 18.587 4.108 ( 15.152 10.603 -1.862) 18.587 4.680 ( -1.679 0.774 -2.586) 3.179 4.680 ( 1.679 0.774 -2.586) 3.179 5.186 ( -4.111 -3.062 2.734) 5.809 5.186 ( 4.111 -3.062 2.734) 5.809 5.295 ( -3.872 -4.193 -2.603) 6.273 5.295 ( 3.872 -4.193 -2.603) 6.273 5.472 ( -0.194 -7.033 1.083) 7.119 5.472 ( 0.194 -7.033 1.083) 7.119 5.899 ( -0.807 -0.530 1.470) 1.758 5.899 ( 0.807 -0.530 1.470) 1.758 6.100 ( -0.242 -1.737 -0.782) 1.920 6.100 ( 0.242 -1.737 -0.782) 1.920 6.375 ( -0.329 2.921 0.813) 3.050 6.375 ( 0.329 2.921 0.813) 3.050 6.661 ( -0.686 -1.154 -0.351) 1.388 6.661 ( 0.686 -1.154 -0.351) 1.388 6.925 ( -2.354 -1.817 -1.005) 3.139 6.925 ( 2.354 -1.817 -1.005) 3.139 6.998 ( -1.070 -2.261 0.387) 2.531 6.998 ( 1.070 -2.261 0.387) 2.531 7.109 ( -1.990 -0.760 0.102) 2.133 7.109 ( 1.990 -0.760 0.102) 2.133 7.659 ( -0.842 -4.734 -1.248) 4.968 7.659 ( 0.842 -4.734 -1.248) 4.968 7.971 ( -1.643 0.606 0.791) 1.921 7.971 ( 1.643 0.606 0.791) 1.921 8.208 ( -0.178 -7.607 0.083) 7.609 8.208 ( 0.178 -7.607 0.083) 7.609 8.239 ( -1.259 -2.126 -0.998) 2.665 8.239 ( 1.259 -2.126 -0.998) 2.665 8.562 ( -0.563 -3.471 0.434) 3.543 8.562 ( 0.563 -3.471 0.434) 3.543 8.746 ( -1.363 -2.051 0.057) 2.463 8.746 ( 1.363 -2.051 0.057) 2.463 8.958 ( -3.570 -6.433 -1.213) 7.457 8.958 ( 3.570 -6.433 -1.213) 7.457 9.194 ( -4.169 -1.002 6.367) 7.676 9.194 ( 4.169 -1.002 6.367) 7.676 9.516 ( -4.684 3.451 -3.512) 6.795 9.516 ( 4.684 3.451 -3.512) 6.795 9.954 ( -2.648 -1.497 -1.922) 3.599 9.954 ( 2.648 -1.497 -1.922) 3.599 10.201 ( -0.615 6.680 -0.251) 6.713 10.201 ( 0.615 6.680 -0.251) 6.713 10.639 ( -10.881 -4.400 3.716) 12.311 10.639 ( 10.881 -4.400 3.716) 12.311 10.720 ( -14.804 -5.276 -2.742) 15.954 10.720 ( 14.804 -5.276 -2.742) 15.954 12.310 ( -0.136 -3.958 0.004) 3.961 12.310 ( 0.136 -3.958 0.004) 3.961 12.436 ( -0.038 -7.434 0.162) 7.435 12.436 ( 0.038 -7.434 0.162) 7.435 ======================= Grid point 144 (51/70) ======================= q-point: ( 0.00 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 0.000 21.357 9.283) 23.287 1.757 ( 0.000 25.679 4.363) 26.047 1.792 ( 0.000 16.730 -9.785) 19.382 1.930 ( 0.000 23.108 -8.917) 24.768 2.643 ( 0.000 4.836 6.779) 8.327 2.665 ( 0.000 12.863 5.229) 13.885 3.045 ( 0.000 10.235 -0.710) 10.260 3.065 ( 0.000 20.114 1.147) 20.146 3.107 ( 0.000 29.286 1.768) 29.339 3.255 ( 0.000 22.605 -2.542) 22.748 3.276 ( 0.000 11.231 4.275) 12.017 3.369 ( 0.000 19.998 -10.899) 22.775 3.804 ( 0.000 12.007 -0.342) 12.012 3.912 ( 0.000 12.234 -7.151) 14.170 4.062 ( 0.000 5.970 7.570) 9.640 4.064 ( 0.000 13.481 5.637) 14.612 4.314 ( 0.000 9.883 -8.242) 12.868 4.364 ( 0.000 7.905 -8.576) 11.664 4.575 ( 0.000 5.231 12.096) 13.179 4.793 ( 0.000 6.832 -7.116) 9.864 4.844 ( 0.000 5.492 8.210) 9.877 4.930 ( 0.000 2.777 -0.552) 2.831 5.167 ( 0.000 -7.066 0.848) 7.117 5.168 ( 0.000 -4.492 0.629) 4.536 5.218 ( 0.000 -3.148 1.684) 3.570 5.306 ( 0.000 -3.642 -6.329) 7.302 5.611 ( 0.000 -9.277 2.689) 9.659 5.617 ( 0.000 -11.286 2.921) 11.657 5.699 ( 0.000 -7.158 1.089) 7.241 5.762 ( 0.000 -3.389 -4.656) 5.759 5.810 ( 0.000 -6.439 0.886) 6.499 5.843 ( 0.000 -9.301 -1.827) 9.479 6.420 ( 0.000 -6.042 3.033) 6.761 6.451 ( 0.000 -12.420 3.132) 12.809 6.491 ( 0.000 -4.696 -2.619) 5.377 6.526 ( 0.000 -11.574 -3.597) 12.120 6.691 ( 0.000 -9.558 0.033) 9.558 6.705 ( 0.000 -8.504 -1.502) 8.636 7.244 ( 0.000 4.864 1.918) 5.228 7.261 ( 0.000 7.583 0.279) 7.589 7.331 ( 0.000 2.708 1.932) 3.326 7.365 ( 0.000 1.352 -1.588) 2.086 7.467 ( 0.000 0.830 2.622) 2.750 7.493 ( 0.000 -0.575 0.808) 0.991 7.661 ( 0.000 4.544 3.388) 5.668 7.748 ( 0.000 -2.520 -2.541) 3.579 8.033 ( 0.000 -8.588 -0.652) 8.613 8.061 ( 0.000 -8.512 -3.290) 9.126 8.178 ( 0.000 -3.943 1.242) 4.134 8.224 ( 0.000 -3.815 -3.884) 5.444 8.319 ( 0.000 -6.405 2.945) 7.050 8.363 ( 0.000 -4.294 -0.281) 4.303 8.500 ( 0.000 -0.237 5.504) 5.509 8.713 ( 0.000 1.241 -15.024) 15.075 9.032 ( 0.000 6.260 1.404) 6.415 9.076 ( 0.000 5.112 -2.480) 5.682 9.165 ( 0.000 4.997 0.525) 5.025 9.193 ( 0.000 3.928 -2.119) 4.463 9.614 ( 0.000 0.994 6.155) 6.235 9.643 ( 0.000 -6.163 11.315) 12.885 9.793 ( 0.000 -0.680 -1.511) 1.657 9.895 ( 0.000 -1.248 -4.898) 5.055 9.987 ( 0.000 3.557 0.712) 3.627 10.002 ( 0.000 4.012 -0.734) 4.079 10.221 ( 0.000 -2.462 6.040) 6.522 10.369 ( 0.000 -6.016 -6.335) 8.737 11.174 ( 0.000 -19.628 0.763) 19.643 11.197 ( 0.000 -23.579 -1.180) 23.608 12.208 ( 0.000 -4.243 0.268) 4.251 12.224 ( 0.000 -3.964 -1.258) 4.159 12.289 ( 0.000 -2.237 0.769) 2.366 12.290 ( 0.000 -0.661 0.552) 0.861 ======================= Grid point 145 (52/70) ======================= q-point: ( 0.12 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( 6.619 20.761 8.518) 23.396 1.796 ( 4.197 23.729 5.042) 24.619 1.838 ( 4.513 17.357 -9.033) 20.081 1.970 ( 4.239 20.267 -8.700) 22.459 2.634 ( -0.153 7.647 6.745) 10.198 2.696 ( 2.057 10.068 2.896) 10.677 3.008 ( -0.996 15.906 -1.148) 15.978 3.044 ( -2.562 12.141 -2.786) 12.718 3.203 ( 4.819 25.145 4.924) 26.072 3.219 ( -4.161 12.794 4.015) 14.040 3.293 ( 4.032 17.225 1.216) 17.732 3.417 ( 4.429 22.438 -10.978) 25.369 3.766 ( -2.349 15.962 -0.960) 16.163 3.863 ( -3.165 16.644 -8.864) 19.121 3.971 ( -7.560 7.901 8.013) 13.557 4.086 ( -2.548 7.800 1.109) 8.280 4.316 ( 1.135 10.993 -2.250) 11.279 4.383 ( -1.275 8.015 1.250) 8.211 4.542 ( -1.162 2.896 3.211) 4.477 4.723 ( -6.019 5.961 -5.895) 10.320 4.759 ( -8.814 5.042 4.670) 11.176 4.870 ( -8.857 0.043 -4.810) 10.078 5.044 ( -3.319 -2.249 2.638) 4.799 5.085 ( -1.058 -2.055 -1.107) 2.563 5.266 ( -0.220 -5.303 6.332) 8.262 5.397 ( 1.969 -4.830 -4.218) 6.708 5.575 ( -0.545 -8.732 3.852) 9.559 5.669 ( 3.522 -9.098 0.712) 9.782 5.691 ( -3.367 -7.800 -2.543) 8.868 5.746 ( -1.400 -4.063 -3.420) 5.492 5.828 ( 3.148 -6.698 2.139) 7.703 5.859 ( 2.189 -6.823 -0.701) 7.200 6.406 ( 0.021 -7.824 1.154) 7.909 6.420 ( -0.626 -9.314 0.320) 9.340 6.560 ( 3.334 -6.308 0.601) 7.160 6.590 ( 4.451 -7.337 -1.829) 8.774 6.690 ( -0.096 -7.993 0.028) 7.994 6.713 ( 0.669 -7.806 -1.575) 7.992 7.133 ( -8.645 4.826 0.912) 9.943 7.156 ( -7.867 6.154 -0.978) 10.036 7.293 ( -2.475 3.043 3.205) 5.065 7.365 ( -2.527 1.054 -1.789) 3.271 7.439 ( -0.098 0.018 2.896) 2.897 7.489 ( -0.184 -1.066 -0.357) 1.140 7.695 ( 2.946 2.962 3.050) 5.173 7.765 ( 1.710 -2.837 -2.245) 4.002 8.007 ( -0.503 -7.765 0.737) 7.816 8.057 ( -0.196 -6.151 -3.826) 7.246 8.218 ( 4.503 -6.818 1.204) 8.259 8.254 ( 4.469 -6.058 -2.039) 7.799 8.456 ( 5.123 -1.185 0.886) 5.332 8.476 ( 5.400 -2.474 -0.460) 5.958 8.538 ( 6.743 -1.663 6.447) 9.476 8.741 ( 3.138 0.618 -12.749) 13.144 8.955 ( -6.395 5.066 2.108) 8.426 9.018 ( -5.218 4.801 -3.375) 7.853 9.161 ( -0.288 3.297 1.193) 3.518 9.197 ( -0.085 4.020 -2.342) 4.654 9.523 ( -4.797 -1.179 12.179) 13.143 9.699 ( 0.194 -1.528 -2.278) 2.750 9.821 ( 3.187 -2.471 2.567) 4.780 9.934 ( 2.972 -1.808 -4.657) 5.813 10.002 ( 2.336 2.200 1.476) 3.532 10.031 ( 3.582 2.740 -1.269) 4.685 10.232 ( 0.627 -2.567 6.267) 6.801 10.374 ( 0.332 -5.178 -6.061) 7.979 11.099 ( -7.249 -19.227 1.919) 20.637 11.142 ( -5.202 -21.067 -1.828) 21.776 12.207 ( -0.045 -3.494 0.116) 3.496 12.218 ( -0.336 -3.038 -1.001) 3.216 12.288 ( 0.107 -2.848 1.120) 3.062 12.300 ( 0.481 -2.676 0.027) 2.719 ======================= Grid point 146 (53/70) ======================= q-point: ( 0.25 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 157 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( 10.564 19.559 6.538) 23.171 1.933 ( 8.953 18.697 2.105) 20.836 1.978 ( 9.882 17.382 -3.738) 20.341 2.107 ( 9.189 14.406 -7.032) 18.478 2.636 ( -0.147 6.929 5.668) 8.953 2.728 ( 0.894 10.116 -1.628) 10.285 2.990 ( -2.160 11.327 0.379) 11.537 3.009 ( 0.730 14.244 -2.237) 14.437 3.140 ( -3.366 15.254 3.035) 15.913 3.200 ( -2.131 12.108 -1.268) 12.359 3.441 ( 6.033 20.854 2.543) 21.858 3.481 ( 1.546 13.711 -2.217) 13.975 3.707 ( -13.511 6.719 6.030) 16.250 3.794 ( 0.595 15.208 -3.192) 15.551 3.874 ( 2.117 23.139 -4.772) 23.720 3.899 ( -10.754 9.841 -6.451) 15.941 4.280 ( -7.693 16.946 8.359) 20.402 4.386 ( 2.045 4.597 6.872) 8.517 4.394 ( -14.827 8.186 0.342) 16.940 4.556 ( -7.285 -1.704 -5.486) 9.277 4.681 ( -0.897 1.168 -3.553) 3.846 4.712 ( -2.047 3.838 -5.807) 7.256 5.025 ( 0.905 -0.367 5.115) 5.208 5.118 ( 2.409 0.523 -3.540) 4.314 5.207 ( -4.122 -5.992 8.122) 10.902 5.369 ( -4.101 -5.707 -5.573) 8.969 5.560 ( -3.532 -3.539 1.943) 5.364 5.585 ( -5.497 -5.389 0.413) 7.709 5.707 ( 1.789 -6.244 2.200) 6.858 5.781 ( 4.863 -6.881 -4.343) 9.479 5.901 ( 3.040 -6.089 2.051) 7.108 5.928 ( 3.975 -6.698 -0.225) 7.792 6.425 ( 1.138 -6.892 0.519) 7.004 6.439 ( 2.138 -6.960 -0.515) 7.299 6.575 ( -1.388 -2.733 1.817) 3.563 6.623 ( -1.600 -1.597 -2.215) 3.165 6.715 ( 3.030 -7.249 0.424) 7.868 6.735 ( 1.652 -5.091 -1.067) 5.458 7.020 ( -1.942 0.967 0.284) 2.188 7.041 ( -2.337 3.429 -1.458) 4.398 7.217 ( -5.156 2.444 2.694) 6.310 7.272 ( -6.037 1.198 -0.917) 6.223 7.462 ( 2.067 -2.657 2.296) 4.075 7.511 ( 1.808 -4.762 -1.463) 5.299 7.774 ( 5.015 0.797 2.100) 5.495 7.820 ( 3.822 -3.285 -1.657) 5.305 8.027 ( 2.170 -5.818 1.218) 6.328 8.072 ( 1.538 -3.609 -2.663) 4.741 8.326 ( 5.073 -5.452 0.602) 7.471 8.358 ( 4.807 -3.879 -2.075) 6.516 8.474 ( -2.206 0.076 0.657) 2.303 8.487 ( -2.839 0.365 -0.584) 2.921 8.669 ( 1.599 -1.858 3.542) 4.307 8.762 ( -3.016 -0.986 -5.763) 6.579 8.850 ( -1.817 2.431 4.853) 5.723 8.972 ( 1.979 1.030 -4.304) 4.847 9.129 ( -2.877 2.000 2.832) 4.505 9.199 ( 1.319 3.429 -4.232) 5.604 9.456 ( -1.697 -0.393 11.540) 11.671 9.664 ( -2.357 -0.719 -6.552) 7.000 9.871 ( 1.250 -1.996 2.738) 3.612 9.974 ( 0.492 -2.661 -5.980) 6.564 10.108 ( 7.295 -1.253 2.261) 7.740 10.150 ( 7.473 0.050 -1.448) 7.612 10.244 ( 1.308 -3.295 6.200) 7.142 10.377 ( -0.021 -4.291 -5.927) 7.317 10.909 ( -10.906 -15.752 4.723) 19.732 10.999 ( -8.770 -16.976 -3.241) 19.380 12.212 ( 0.694 -2.754 -0.037) 2.840 12.219 ( 0.482 -2.428 -0.639) 2.556 12.290 ( 0.007 -4.879 1.059) 4.992 12.304 ( -0.104 -4.517 -0.207) 4.523 ======================= Grid point 147 (54/70) ======================= q-point: ( 0.38 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( 11.259 16.817 4.737) 20.785 2.122 ( 9.055 17.040 -1.601) 19.363 2.217 ( 12.021 12.820 0.451) 17.581 2.301 ( 8.274 11.867 -4.039) 15.020 2.611 ( -1.333 5.964 6.016) 8.575 2.738 ( 0.533 8.248 -5.248) 9.790 2.979 ( 0.966 12.064 1.548) 12.201 3.015 ( -1.077 10.793 -2.509) 11.133 3.085 ( -1.973 18.141 3.720) 18.623 3.173 ( -0.203 13.904 -3.556) 14.353 3.346 ( -14.265 6.545 4.912) 16.445 3.488 ( -19.434 2.811 -6.563) 20.704 3.502 ( 4.233 11.693 2.908) 12.771 3.598 ( 4.455 11.758 -4.064) 13.214 3.942 ( -6.995 13.951 2.302) 15.775 3.984 ( 8.390 19.290 0.425) 21.040 4.040 ( -15.186 7.483 2.594) 17.127 4.123 ( -0.607 18.008 -2.036) 18.133 4.393 ( -2.161 11.533 4.066) 12.418 4.470 ( -3.231 4.687 -2.332) 6.152 4.675 ( 2.125 4.170 0.776) 4.744 4.738 ( 1.219 4.007 -5.012) 6.532 5.066 ( 2.408 -1.919 5.417) 6.232 5.150 ( -0.510 -4.453 4.144) 6.104 5.177 ( 3.545 1.420 -4.613) 5.989 5.261 ( -5.667 -4.903 -5.458) 9.270 5.436 ( -6.706 -3.255 3.079) 8.065 5.477 ( -5.986 -2.478 -0.613) 6.508 5.788 ( 4.914 -5.269 3.850) 8.169 5.867 ( 2.709 -3.174 -2.309) 4.769 5.947 ( 1.794 -8.095 1.011) 8.353 5.984 ( 1.289 -7.316 -1.406) 7.561 6.434 ( -0.173 -1.389 1.494) 2.047 6.458 ( -0.833 -0.163 -0.112) 0.856 6.565 ( 1.009 -5.958 0.352) 6.053 6.595 ( -0.556 -3.858 -1.922) 4.347 6.783 ( 4.361 -3.141 0.307) 5.383 6.801 ( 5.262 -4.478 -1.021) 6.985 7.014 ( -0.598 -0.905 -0.520) 1.203 7.023 ( -2.084 1.434 -1.410) 2.896 7.109 ( -3.985 0.386 2.780) 4.874 7.148 ( -5.473 -0.511 0.040) 5.497 7.507 ( 2.111 -5.035 1.081) 5.566 7.539 ( 0.772 -5.865 -1.541) 6.113 7.894 ( 6.709 -0.533 1.104) 6.820 7.918 ( 5.786 -3.021 -0.869) 6.585 8.077 ( 2.504 -2.250 0.909) 3.487 8.104 ( 1.396 -1.037 -1.387) 2.224 8.313 ( -7.548 1.083 0.167) 7.627 8.335 ( -8.689 -0.132 -1.421) 8.806 8.452 ( 3.212 -2.951 0.797) 4.434 8.467 ( 2.177 -3.024 -0.473) 3.756 8.662 ( 0.123 -2.600 1.279) 2.900 8.736 ( 0.955 -1.615 -5.507) 5.818 8.815 ( -2.748 -1.985 7.495) 8.226 8.963 ( -4.363 -1.828 -5.925) 7.581 9.118 ( 3.332 2.227 7.562) 8.559 9.260 ( 2.214 2.958 -3.464) 5.065 9.450 ( 1.893 -1.088 7.129) 7.456 9.619 ( -2.583 -0.884 -5.941) 6.538 9.888 ( 0.863 -1.867 1.432) 2.506 9.955 ( -1.975 -3.104 -4.235) 5.610 10.211 ( 2.124 -2.697 1.547) 3.765 10.249 ( 1.998 -1.291 -0.992) 2.577 10.360 ( 8.860 -5.113 0.971) 10.276 10.405 ( 4.791 -5.293 -2.841) 7.684 10.693 ( -10.056 -11.051 6.316) 16.222 10.803 ( -10.542 -12.162 -3.693) 16.514 12.231 ( 1.001 -2.706 -0.038) 2.886 12.234 ( 0.826 -2.469 -0.276) 2.618 12.288 ( -0.172 -6.148 0.632) 6.183 12.297 ( -0.533 -5.835 -0.157) 5.862 ======================= Grid point 148 (55/70) ======================= q-point: (-0.50 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( -4.161 14.363 2.400) 15.145 2.201 ( 4.161 14.363 2.400) 15.145 2.356 ( -2.500 14.130 -2.659) 14.594 2.356 ( 2.500 14.130 -2.659) 14.594 2.691 ( -7.764 4.642 3.805) 9.813 2.691 ( 7.764 4.642 3.805) 9.813 2.985 ( -2.008 9.831 -2.209) 10.274 2.985 ( 2.008 9.831 -2.209) 10.274 3.127 ( -8.237 11.708 -0.092) 14.316 3.127 ( 8.237 11.708 -0.092) 14.316 3.210 ( -4.705 13.657 -3.307) 14.819 3.210 ( 4.705 13.657 -3.307) 14.819 3.671 ( -10.413 7.204 3.208) 13.062 3.671 ( 10.413 7.204 3.208) 13.062 3.762 ( -8.702 9.048 -2.308) 12.764 3.762 ( 8.702 9.048 -2.308) 12.764 4.144 ( -4.538 14.898 2.724) 15.810 4.144 ( 4.538 14.898 2.724) 15.810 4.390 ( -3.732 14.418 -1.124) 14.936 4.390 ( 3.732 14.418 -1.124) 14.936 4.729 ( -2.164 4.129 -0.656) 4.707 4.729 ( 2.164 4.129 -0.656) 4.707 5.121 ( -3.747 -2.361 1.242) 4.600 5.121 ( 3.747 -2.361 1.242) 4.600 5.222 ( -2.056 -2.278 -1.631) 3.475 5.222 ( 2.056 -2.278 -1.631) 3.475 5.371 ( -2.712 -2.180 0.386) 3.501 5.371 ( 2.712 -2.180 0.386) 3.501 5.867 ( -2.425 -2.920 2.218) 4.397 5.867 ( 2.425 -2.920 2.218) 4.397 5.981 ( -1.319 -8.502 -1.855) 8.801 5.981 ( 1.319 -8.502 -1.855) 8.801 6.436 ( -0.703 1.882 1.156) 2.318 6.436 ( 0.703 1.882 1.156) 2.318 6.586 ( -0.717 -6.967 -1.151) 7.097 6.586 ( 0.717 -6.967 -1.151) 7.097 6.902 ( -5.416 -3.213 0.749) 6.341 6.902 ( 5.416 -3.213 0.749) 6.341 6.935 ( -4.921 0.211 -1.920) 5.286 6.935 ( 4.921 0.211 -1.920) 5.286 7.094 ( -0.725 -0.831 1.456) 1.826 7.094 ( 0.725 -0.831 1.456) 1.826 7.538 ( -0.867 -5.838 -0.581) 5.931 7.538 ( 0.867 -5.838 -0.581) 5.931 7.999 ( -0.849 -2.074 0.199) 2.250 7.999 ( 0.849 -2.074 0.199) 2.250 8.126 ( -1.220 3.429 0.312) 3.653 8.126 ( 1.220 3.429 0.312) 3.653 8.187 ( -1.289 -3.533 -0.733) 3.831 8.187 ( 1.289 -3.533 -0.733) 3.831 8.493 ( -0.325 -2.201 -0.065) 2.226 8.493 ( 0.325 -2.201 -0.065) 2.226 8.699 ( -3.388 -2.183 2.770) 4.891 8.699 ( 3.388 -2.183 2.770) 4.891 8.851 ( -5.507 -3.293 -5.210) 8.265 8.851 ( 5.507 -3.293 -5.210) 8.265 9.217 ( -5.117 2.051 7.495) 9.304 9.217 ( 5.117 2.051 7.495) 9.304 9.541 ( -5.312 -1.064 -3.962) 6.711 9.541 ( 5.312 -1.064 -3.962) 6.711 9.914 ( -1.792 -2.454 -1.006) 3.201 9.914 ( 1.792 -2.454 -1.006) 3.201 10.243 ( -1.457 -2.730 -0.965) 3.242 10.243 ( 1.457 -2.730 -0.965) 3.242 10.515 ( -7.837 -7.424 3.822) 11.452 10.515 ( 7.837 -7.424 3.822) 11.452 10.587 ( -10.810 -7.704 -2.449) 13.498 10.587 ( 10.810 -7.704 -2.449) 13.498 12.244 ( -0.059 -2.529 -0.003) 2.530 12.244 ( 0.059 -2.529 -0.003) 2.530 12.287 ( -0.254 -6.570 0.086) 6.576 12.287 ( 0.254 -6.570 0.086) 6.576 ======================= Grid point 153 (56/70) ======================= q-point: ( 0.00 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( 0.000 22.481 5.422) 23.125 2.138 ( 0.000 17.867 -6.210) 18.916 2.307 ( 0.000 26.328 3.442) 26.552 2.410 ( 0.000 22.852 -5.878) 23.596 2.759 ( 0.000 6.808 8.532) 10.915 2.898 ( 0.000 10.821 -2.844) 11.189 3.225 ( 0.000 7.305 -0.231) 7.309 3.251 ( 0.000 6.524 -1.316) 6.656 3.480 ( 0.000 9.682 3.843) 10.417 3.485 ( 0.000 6.712 3.521) 7.579 3.807 ( 0.000 26.691 3.659) 26.940 3.910 ( 0.000 23.419 -5.888) 24.148 3.937 ( 0.000 3.856 -6.979) 7.974 3.968 ( 0.000 -1.861 -10.134) 10.304 4.196 ( 0.000 3.214 4.233) 5.315 4.246 ( 0.000 5.340 0.115) 5.341 4.512 ( 0.000 -7.116 9.996) 12.270 4.631 ( 0.000 21.636 2.006) 21.729 4.658 ( 0.000 -10.240 -4.078) 11.022 4.678 ( 0.000 19.704 -2.020) 19.808 5.007 ( 0.000 -6.873 0.978) 6.942 5.019 ( 0.000 -0.413 -1.069) 1.146 5.143 ( 0.000 -3.252 0.043) 3.252 5.163 ( 0.000 0.676 -2.551) 2.639 5.209 ( 0.000 10.926 6.821) 12.880 5.300 ( 0.000 5.908 0.348) 5.919 5.390 ( 0.000 -6.929 -1.552) 7.101 5.416 ( 0.000 -9.253 -2.597) 9.610 5.578 ( 0.000 -3.558 5.240) 6.334 5.653 ( 0.000 -8.964 0.937) 9.013 5.662 ( 0.000 -7.901 -0.654) 7.928 5.720 ( 0.000 -0.721 -6.506) 6.546 6.188 ( 0.000 -11.012 4.348) 11.840 6.276 ( 0.000 -11.494 -3.472) 12.007 6.306 ( 0.000 -6.342 3.377) 7.185 6.362 ( 0.000 -7.748 -1.311) 7.858 6.499 ( 0.000 -7.878 2.162) 8.169 6.580 ( 0.000 -3.251 -4.912) 5.890 7.223 ( 0.000 -4.858 1.427) 5.063 7.235 ( 0.000 -5.751 0.394) 5.764 7.391 ( 0.000 0.728 2.317) 2.429 7.445 ( 0.000 2.062 -2.248) 3.050 7.558 ( 0.000 8.381 1.879) 8.589 7.586 ( 0.000 8.875 -0.824) 8.913 7.691 ( 0.000 -2.774 0.482) 2.816 7.698 ( 0.000 -1.030 -0.214) 1.052 7.913 ( 0.000 -3.364 0.059) 3.365 7.942 ( 0.000 -2.664 -3.363) 4.290 8.099 ( 0.000 -3.310 -0.253) 3.319 8.111 ( 0.000 -4.519 -1.899) 4.902 8.258 ( 0.000 0.236 6.489) 6.493 8.362 ( 0.000 1.922 -2.602) 3.234 8.526 ( 0.000 2.555 6.417) 6.907 8.735 ( 0.000 0.870 -13.173) 13.202 9.137 ( 0.000 4.019 1.136) 4.177 9.172 ( 0.000 4.528 -1.805) 4.874 9.261 ( 0.000 3.533 0.335) 3.548 9.274 ( 0.000 3.635 -0.995) 3.769 9.480 ( 0.000 -8.620 14.861) 17.180 9.607 ( 0.000 -1.502 2.797) 3.175 9.752 ( 0.000 -2.904 -2.186) 3.635 9.815 ( 0.000 -6.194 -7.681) 9.867 10.035 ( 0.000 0.704 0.911) 1.151 10.058 ( 0.000 1.458 -1.285) 1.943 10.184 ( 0.000 -1.321 2.544) 2.866 10.244 ( 0.000 -5.127 -2.831) 5.857 10.736 ( 0.000 -20.789 1.730) 20.861 10.770 ( 0.000 -19.420 -1.246) 19.460 12.118 ( 0.000 -4.420 0.340) 4.433 12.137 ( 0.000 -4.357 -1.557) 4.627 12.234 ( 0.000 -3.107 2.083) 3.740 12.265 ( 0.000 -1.962 -0.813) 2.124 ======================= Grid point 154 (57/70) ======================= q-point: ( 0.12 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 4.804 21.283 5.430) 22.484 2.187 ( 4.807 17.232 -6.190) 18.931 2.306 ( 0.375 25.049 3.874) 25.349 2.415 ( 0.821 21.964 -5.906) 22.759 2.761 ( 0.159 6.453 8.369) 10.570 2.909 ( 0.878 10.170 -3.998) 10.963 3.206 ( -1.962 6.934 0.884) 7.260 3.243 ( -0.521 7.744 -1.515) 7.908 3.424 ( -2.762 8.019 2.741) 8.913 3.478 ( -2.297 9.130 0.216) 9.417 3.813 ( -2.674 12.050 0.729) 12.365 3.837 ( -1.306 16.754 -1.087) 16.840 3.995 ( 5.937 13.969 -2.339) 15.358 4.054 ( -4.241 5.028 -1.829) 6.827 4.112 ( -1.714 3.583 -2.819) 4.870 4.169 ( -5.942 1.693 -3.032) 6.882 4.540 ( 0.295 1.951 5.487) 5.831 4.564 ( -1.409 4.665 2.356) 5.413 4.679 ( -2.243 4.833 1.298) 5.484 4.689 ( 0.655 14.471 0.592) 14.498 4.852 ( -11.904 -2.276 -0.400) 12.126 4.907 ( -6.988 4.062 -6.241) 10.212 5.100 ( -3.386 0.450 1.784) 3.853 5.132 ( -3.700 2.875 0.740) 4.744 5.227 ( 0.339 1.652 1.939) 2.570 5.311 ( 0.739 -1.198 -1.538) 2.084 5.394 ( 3.591 -7.321 3.140) 8.738 5.516 ( 4.953 -3.508 -4.407) 7.501 5.576 ( -1.262 -2.706 5.374) 6.148 5.664 ( -0.796 -6.568 0.685) 6.652 5.688 ( 3.850 -6.844 -0.219) 7.856 5.726 ( 1.895 -3.018 -5.191) 6.297 6.203 ( 1.910 -9.751 2.544) 10.257 6.234 ( -0.271 -8.705 0.051) 8.709 6.410 ( 3.773 -8.492 0.888) 9.335 6.429 ( 6.847 -8.581 -0.358) 10.984 6.515 ( 1.561 -7.114 2.035) 7.562 6.602 ( 2.403 -2.309 -5.009) 6.016 7.179 ( -4.669 -2.116 1.142) 5.252 7.207 ( -3.546 -3.099 -0.542) 4.740 7.298 ( -6.416 0.265 2.178) 6.781 7.348 ( -6.390 0.692 -1.381) 6.574 7.535 ( -1.799 7.431 1.850) 7.866 7.565 ( -2.596 7.094 -0.763) 7.592 7.677 ( -0.394 -5.187 0.238) 5.207 7.685 ( -0.750 -4.477 -0.331) 4.551 7.925 ( 2.358 -0.051 1.198) 2.646 7.984 ( 3.376 -1.201 -4.139) 5.475 8.133 ( 4.773 -1.578 1.444) 5.230 8.169 ( 5.389 -1.773 -2.239) 6.099 8.421 ( 10.411 -1.548 3.150) 10.987 8.464 ( 6.270 0.885 -0.768) 6.379 8.546 ( 2.699 1.882 6.649) 7.418 8.747 ( 1.282 -0.049 -11.790) 11.860 9.045 ( -7.590 3.804 2.265) 8.787 9.108 ( -6.248 4.096 -3.163) 8.113 9.231 ( -1.504 2.871 2.917) 4.360 9.284 ( -0.298 3.851 -2.494) 4.598 9.451 ( -2.044 -4.912 12.725) 13.792 9.641 ( 1.174 -3.622 -1.723) 4.179 9.755 ( 1.239 -3.652 -0.411) 3.878 9.847 ( 2.570 -6.328 -6.472) 9.409 10.018 ( -0.973 -0.610 1.979) 2.288 10.052 ( 0.389 -0.170 -1.324) 1.390 10.179 ( -0.790 -2.794 3.729) 4.726 10.261 ( 1.063 -5.144 -3.603) 6.370 10.698 ( -3.746 -18.604 2.187) 19.103 10.741 ( -2.755 -18.311 -1.547) 18.582 12.125 ( 0.734 -4.150 0.270) 4.223 12.141 ( 0.470 -4.077 -1.340) 4.317 12.228 ( -0.599 -3.067 1.873) 3.643 12.256 ( -0.907 -2.167 -0.737) 2.462 ======================= Grid point 155 (58/70) ======================= q-point: ( 0.25 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 157 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( 8.307 18.185 5.570) 20.754 2.321 ( 8.087 15.030 -5.116) 17.818 2.345 ( 4.173 21.528 3.294) 22.175 2.459 ( 3.939 19.569 -5.817) 20.792 2.761 ( -0.383 6.036 7.747) 9.828 2.917 ( -0.554 8.307 -5.728) 10.106 3.171 ( -0.862 7.543 2.114) 7.881 3.229 ( -1.041 8.085 -2.595) 8.555 3.385 ( -1.359 7.047 1.301) 7.294 3.425 ( -2.548 10.612 -2.342) 11.162 3.684 ( -8.836 3.962 5.031) 10.912 3.787 ( -11.837 1.989 -0.051) 12.003 3.871 ( -1.966 17.320 0.997) 17.459 3.926 ( -11.065 6.882 -4.433) 13.764 4.126 ( 4.557 6.949 3.617) 9.063 4.244 ( 5.325 9.248 -5.968) 12.226 4.409 ( -11.054 3.927 2.379) 11.969 4.490 ( -13.647 1.370 -3.019) 14.044 4.583 ( -3.672 1.606 4.054) 5.701 4.663 ( -0.310 1.911 -2.270) 2.983 4.752 ( 5.028 16.754 3.917) 17.925 4.841 ( -1.525 10.018 -4.602) 11.129 5.071 ( -0.726 3.364 1.074) 3.605 5.080 ( 0.178 -1.704 1.933) 2.583 5.220 ( -0.036 2.941 -0.927) 3.084 5.281 ( -3.568 -2.131 -2.104) 4.658 5.476 ( 2.866 -5.534 2.105) 6.578 5.517 ( -2.884 -0.599 1.985) 3.552 5.619 ( -2.076 -2.866 0.762) 3.620 5.632 ( 5.722 -4.927 -2.196) 7.864 5.775 ( 3.969 -6.927 0.522) 8.000 5.796 ( 3.633 -4.408 -1.707) 5.962 6.260 ( 3.093 -8.177 0.858) 8.785 6.268 ( 3.665 -8.498 0.398) 9.263 6.449 ( 0.176 -8.175 2.324) 8.501 6.508 ( 0.325 -8.778 -2.655) 9.176 6.596 ( 6.483 -3.599 3.000) 7.999 6.676 ( 4.463 -0.955 -3.704) 5.878 7.068 ( -4.707 2.107 0.641) 5.197 7.105 ( -4.860 0.855 -2.184) 5.396 7.193 ( -4.892 -2.840 2.980) 6.394 7.245 ( -4.781 -2.589 -0.678) 5.479 7.500 ( -1.361 5.741 0.417) 5.915 7.508 ( -2.015 5.182 0.008) 5.560 7.700 ( 2.955 -7.103 0.126) 7.694 7.708 ( 3.176 -6.999 -0.336) 7.693 8.007 ( 5.029 1.977 1.188) 5.532 8.059 ( 3.676 0.338 -3.451) 5.054 8.247 ( 5.654 -1.436 1.992) 6.164 8.294 ( 6.111 -0.846 -2.300) 6.584 8.512 ( 0.252 2.562 0.849) 2.711 8.522 ( -0.668 3.265 0.253) 3.342 8.643 ( 2.496 -1.150 3.408) 4.378 8.744 ( -2.846 -1.182 -6.368) 7.074 8.895 ( -5.562 2.423 5.512) 8.197 9.007 ( -2.435 2.757 -3.659) 5.189 9.183 ( -2.904 2.455 4.939) 6.234 9.278 ( 0.873 3.645 -4.683) 5.998 9.423 ( -1.015 -1.990 8.637) 8.921 9.612 ( -2.798 -4.082 -6.996) 8.570 9.805 ( 2.248 -4.187 2.074) 5.185 9.887 ( 0.822 -5.773 -4.788) 7.544 10.030 ( 2.678 -5.605 3.387) 7.076 10.096 ( 3.727 -4.590 -2.261) 6.330 10.159 ( -0.269 -4.779 5.035) 6.947 10.266 ( -0.601 -6.010 -4.973) 7.824 10.595 ( -6.141 -14.305 3.975) 16.067 10.666 ( -4.730 -15.249 -2.382) 16.142 12.144 ( 1.042 -3.767 0.178) 3.913 12.155 ( 0.857 -3.565 -0.868) 3.768 12.215 ( -0.612 -2.894 1.223) 3.201 12.233 ( -1.251 -2.541 -0.461) 2.869 ======================= Grid point 156 (59/70) ======================= q-point: ( 0.38 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( 8.685 14.810 6.131) 18.231 2.451 ( 6.401 16.426 4.584) 18.215 2.509 ( 8.809 11.143 -6.005) 15.421 2.574 ( 6.935 17.606 -5.961) 19.839 2.748 ( 0.035 7.395 6.033) 9.544 2.877 ( -3.253 6.367 -4.295) 8.341 3.140 ( -6.493 3.777 -0.899) 7.566 3.172 ( -4.962 5.932 -2.699) 8.191 3.362 ( 0.160 3.952 0.766) 4.028 3.381 ( 0.013 8.106 -0.692) 8.135 3.527 ( -8.067 10.038 1.605) 12.977 3.554 ( -4.881 9.830 -0.049) 10.975 3.776 ( -3.873 11.144 2.572) 12.075 3.859 ( -0.113 11.740 -3.098) 12.143 4.011 ( -13.269 1.815 7.820) 15.508 4.155 ( -15.781 1.922 -4.444) 16.507 4.306 ( 5.170 9.703 2.106) 11.194 4.399 ( 3.995 6.066 -5.439) 9.074 4.568 ( -0.565 3.481 4.081) 5.394 4.636 ( -2.243 4.438 -1.549) 5.208 4.811 ( 0.760 9.526 1.033) 9.612 4.860 ( 1.671 8.885 -3.228) 9.600 5.069 ( 0.829 3.049 4.525) 5.519 5.124 ( 4.110 2.215 1.564) 4.924 5.194 ( -4.017 -0.396 -1.302) 4.241 5.259 ( 3.427 4.787 -5.676) 8.178 5.432 ( -4.615 1.588 1.306) 5.052 5.462 ( -4.040 0.637 -0.661) 4.143 5.660 ( 5.098 -5.850 4.881) 9.167 5.745 ( 5.094 -6.260 -3.056) 8.630 5.819 ( -0.150 -5.459 1.021) 5.556 5.843 ( 0.998 -5.033 -0.908) 5.210 6.326 ( 3.314 -7.372 1.096) 8.157 6.351 ( 4.093 -8.633 -0.973) 9.603 6.431 ( -1.639 -6.654 2.130) 7.176 6.484 ( -2.309 -7.142 -2.376) 7.872 6.730 ( 6.883 -2.288 1.745) 7.461 6.767 ( 4.820 0.247 -1.330) 5.006 6.997 ( -3.638 -1.560 0.318) 3.971 7.028 ( -4.586 -2.534 -2.225) 5.693 7.099 ( -2.727 0.827 3.391) 4.429 7.152 ( -3.952 1.036 -1.002) 4.207 7.484 ( 0.081 3.393 0.120) 3.396 7.496 ( -0.037 2.533 -0.879) 2.682 7.792 ( 5.828 -7.372 0.372) 9.405 7.803 ( 5.768 -7.162 -0.337) 9.202 8.092 ( 2.277 -0.673 -0.123) 2.377 8.105 ( 0.336 -2.055 -1.207) 2.407 8.310 ( -0.514 2.222 2.460) 3.354 8.366 ( -0.992 4.325 -2.372) 5.031 8.480 ( -0.503 4.592 0.595) 4.658 8.489 ( -0.284 4.473 -0.008) 4.482 8.633 ( -0.538 -0.519 1.202) 1.416 8.710 ( 1.213 -0.951 -5.614) 5.822 8.798 ( -5.517 0.293 7.383) 9.222 8.947 ( -5.454 0.328 -6.128) 8.209 9.172 ( 2.727 2.599 8.273) 9.090 9.328 ( 1.014 3.543 -2.763) 4.605 9.399 ( 0.850 -3.409 5.005) 6.115 9.562 ( -2.443 -4.084 -6.217) 7.829 9.832 ( 0.981 -3.513 1.084) 3.805 9.878 ( -1.279 -4.388 -2.641) 5.279 10.082 ( 1.351 -9.083 2.009) 9.400 10.143 ( 0.314 -8.446 -1.905) 8.664 10.227 ( 5.427 -7.131 0.792) 8.996 10.271 ( 3.721 -7.277 -2.254) 8.478 10.469 ( -6.249 -10.721 5.092) 13.413 10.552 ( -6.595 -12.135 -2.625) 14.059 12.163 ( 0.836 -3.893 0.309) 3.993 12.173 ( 0.833 -3.332 -0.626) 3.491 12.204 ( -0.492 -2.742 0.466) 2.824 12.210 ( -0.886 -2.360 -0.080) 2.522 ======================= Grid point 157 (60/70) ======================= q-point: (-0.50 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( -3.638 13.449 6.002) 15.170 2.499 ( 3.638 13.449 6.002) 15.170 2.636 ( -3.709 11.932 -4.994) 13.457 2.636 ( 3.709 11.932 -4.994) 13.457 2.817 ( -4.716 9.668 1.517) 10.864 2.817 ( 4.716 9.668 1.517) 10.864 3.027 ( -3.700 -0.616 -5.549) 6.698 3.027 ( 3.700 -0.616 -5.549) 6.698 3.414 ( -3.687 11.873 2.870) 12.759 3.414 ( 3.687 11.873 2.870) 12.759 3.470 ( -5.572 9.459 -1.442) 11.072 3.470 ( 5.572 9.459 -1.442) 11.072 3.790 ( -5.825 6.946 6.255) 11.013 3.790 ( 5.825 6.946 6.255) 11.013 3.921 ( -6.448 6.940 -4.885) 10.658 3.921 ( 6.448 6.940 -4.885) 10.658 4.406 ( -3.622 7.370 1.536) 8.354 4.406 ( 3.622 7.370 1.536) 8.354 4.583 ( -2.535 3.106 -0.860) 4.100 4.583 ( 2.535 3.106 -0.860) 4.100 4.844 ( -2.121 7.259 0.532) 7.581 4.844 ( 2.121 7.259 0.532) 7.581 5.105 ( -2.875 0.311 -1.777) 3.394 5.105 ( 2.875 0.311 -1.777) 3.394 5.261 ( -5.643 5.571 1.456) 8.062 5.261 ( 5.643 5.571 1.456) 8.062 5.386 ( -2.584 3.311 -1.616) 4.500 5.386 ( 2.584 3.311 -1.616) 4.500 5.762 ( -4.253 -6.029 3.145) 8.020 5.762 ( 4.253 -6.029 3.145) 8.020 5.830 ( -2.239 -5.479 -2.031) 6.258 5.830 ( 2.239 -5.479 -2.031) 6.258 6.385 ( -2.395 -7.498 1.182) 7.960 6.385 ( 2.395 -7.498 1.182) 7.960 6.428 ( -3.096 -6.640 -1.533) 7.485 6.428 ( 3.096 -6.640 -1.533) 7.485 6.848 ( -1.167 -1.484 0.304) 1.912 6.848 ( 1.167 -1.484 0.304) 1.912 6.925 ( -1.059 -2.713 0.342) 2.933 6.925 ( 1.059 -2.713 0.342) 2.933 7.100 ( -1.515 2.256 0.065) 2.719 7.100 ( 1.515 2.256 0.065) 2.719 7.492 ( -0.392 2.025 -0.665) 2.167 7.492 ( 0.392 2.025 -0.665) 2.167 7.882 ( -0.490 -7.210 0.117) 7.227 7.882 ( 0.490 -7.210 0.117) 7.227 8.086 ( -0.391 -5.913 -0.418) 5.940 8.086 ( 0.391 -5.913 -0.418) 5.940 8.309 ( -2.076 11.341 0.547) 11.543 8.309 ( 2.076 11.341 0.547) 11.543 8.501 ( -0.356 2.641 -0.423) 2.699 8.501 ( 0.356 2.641 -0.423) 2.699 8.670 ( -4.356 -0.443 3.619) 5.681 8.670 ( 4.356 -0.443 3.619) 5.681 8.812 ( -6.524 -0.800 -6.230) 9.057 8.812 ( 6.524 -0.800 -6.230) 9.057 9.259 ( -5.021 1.778 8.984) 10.444 9.259 ( 5.021 1.778 8.984) 10.444 9.489 ( -5.013 -3.166 -5.646) 8.187 9.489 ( 5.013 -3.166 -5.646) 8.187 9.853 ( -1.097 -3.503 -0.292) 3.682 9.853 ( 1.097 -3.503 -0.292) 3.682 10.111 ( -2.052 -9.212 -1.674) 9.585 10.111 ( 2.052 -9.212 -1.674) 9.585 10.343 ( -5.988 -9.040 3.374) 11.356 10.343 ( 5.988 -9.040 3.374) 11.356 10.407 ( -7.460 -9.691 -1.724) 12.351 10.407 ( 7.460 -9.691 -1.724) 12.351 12.178 ( -0.509 -4.075 0.039) 4.107 12.178 ( 0.509 -4.075 0.039) 4.107 12.200 ( -0.268 -2.023 -0.007) 2.041 12.200 ( 0.268 -2.023 -0.007) 2.041 ======================= Grid point 162 (61/70) ======================= q-point: ( 0.00 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.461 ( 0.000 21.837 1.759) 21.908 2.494 ( 0.000 16.150 -0.965) 16.179 2.777 ( 0.000 10.166 4.692) 11.196 2.825 ( 0.000 23.508 -0.269) 23.509 2.980 ( 0.000 16.480 2.580) 16.681 3.112 ( 0.000 9.616 -7.752) 12.352 3.348 ( 0.000 4.718 -0.537) 4.748 3.357 ( 0.000 4.134 -0.962) 4.244 3.573 ( 0.000 1.728 6.648) 6.868 3.651 ( 0.000 6.600 0.877) 6.658 3.872 ( 0.000 -5.479 -5.133) 7.508 3.875 ( 0.000 -3.829 -6.255) 7.334 4.124 ( 0.000 -1.637 3.331) 3.711 4.206 ( 0.000 -0.411 -3.256) 3.282 4.334 ( 0.000 -3.430 5.927) 6.848 4.382 ( 0.000 9.966 0.183) 9.967 4.426 ( 0.000 11.555 -0.248) 11.558 4.444 ( 0.000 -5.385 -0.772) 5.440 4.886 ( 0.000 -2.682 2.058) 3.380 4.924 ( 0.000 -0.300 -1.105) 1.145 5.014 ( 0.000 3.679 0.105) 3.680 5.043 ( 0.000 0.742 -2.158) 2.282 5.127 ( 0.000 6.450 1.529) 6.628 5.162 ( 0.000 -6.932 0.707) 6.968 5.180 ( 0.000 9.993 -0.520) 10.006 5.223 ( 0.000 -0.832 -2.429) 2.567 5.374 ( 0.000 0.509 4.012) 4.044 5.450 ( 0.000 -5.403 -2.665) 6.025 5.458 ( 0.000 -8.122 1.282) 8.222 5.497 ( 0.000 -3.991 -1.783) 4.371 5.614 ( 0.000 4.251 6.024) 7.373 5.748 ( 0.000 2.492 -6.159) 6.644 6.028 ( 0.000 -4.489 3.197) 5.511 6.084 ( 0.000 -6.620 -2.059) 6.933 6.161 ( 0.000 -6.917 2.219) 7.264 6.204 ( 0.000 -7.304 -1.477) 7.452 6.436 ( 0.000 2.081 5.148) 5.553 6.576 ( 0.000 2.591 -6.967) 7.433 7.066 ( 0.000 -9.996 1.744) 10.147 7.083 ( 0.000 -8.218 0.139) 8.219 7.429 ( 0.000 2.905 2.329) 3.723 7.483 ( 0.000 2.231 -2.253) 3.171 7.628 ( 0.000 -2.526 0.267) 2.540 7.629 ( 0.000 -2.836 0.205) 2.843 7.738 ( 0.000 5.869 0.682) 5.908 7.760 ( 0.000 6.238 -1.228) 6.357 7.875 ( 0.000 -0.448 1.384) 1.455 7.920 ( 0.000 -0.286 -3.180) 3.193 8.078 ( 0.000 1.180 -1.554) 1.951 8.080 ( 0.000 1.751 -1.626) 2.389 8.294 ( 0.000 2.335 6.929) 7.312 8.401 ( 0.000 1.136 -2.672) 2.904 8.597 ( 0.000 4.359 5.385) 6.928 8.752 ( 0.000 1.182 -9.077) 9.154 9.187 ( 0.000 0.126 1.493) 1.498 9.210 ( 0.000 -6.607 3.723) 7.584 9.279 ( 0.000 3.699 2.185) 4.296 9.335 ( 0.000 2.349 -0.990) 2.549 9.397 ( 0.000 1.469 5.034) 5.244 9.553 ( 0.000 -3.729 -4.991) 6.231 9.694 ( 0.000 -2.214 -0.947) 2.408 9.699 ( 0.000 -3.044 -3.612) 4.724 10.013 ( 0.000 -3.065 3.477) 4.635 10.069 ( 0.000 -0.119 -1.996) 2.000 10.150 ( 0.000 -2.932 0.788) 3.036 10.157 ( 0.000 -4.078 0.002) 4.078 10.382 ( 0.000 -12.334 0.917) 12.368 10.405 ( 0.000 -14.936 -1.019) 14.970 12.036 ( 0.000 -3.277 0.259) 3.287 12.054 ( 0.000 -3.507 -1.520) 3.822 12.170 ( 0.000 -2.833 2.462) 3.753 12.211 ( 0.000 -3.124 -1.245) 3.363 ======================= Grid point 163 (62/70) ======================= q-point: ( 0.12 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.484 ( 2.284 20.605 1.818) 20.810 2.526 ( 2.949 15.284 -1.584) 15.646 2.781 ( 0.528 10.427 3.740) 11.090 2.803 ( -1.672 22.501 0.826) 22.579 2.954 ( -2.201 14.410 3.632) 15.023 3.103 ( -1.159 8.267 -8.410) 11.850 3.342 ( -0.515 6.418 0.802) 6.488 3.369 ( 0.777 4.955 -2.015) 5.405 3.523 ( -3.696 1.229 4.697) 6.102 3.633 ( -2.658 4.786 -3.519) 6.508 3.812 ( -2.806 -2.363 0.828) 3.761 3.895 ( -2.065 -6.069 -3.814) 7.459 4.062 ( -5.861 -2.302 4.934) 8.000 4.173 ( -2.483 -1.606 -4.834) 5.667 4.313 ( 0.891 9.048 1.746) 9.258 4.360 ( -2.275 9.416 -1.928) 9.877 4.472 ( 2.258 -2.077 2.503) 3.960 4.505 ( 5.341 -0.058 0.198) 5.345 4.734 ( -13.041 -1.211 3.180) 13.477 4.785 ( -11.920 -3.033 -1.547) 12.397 5.015 ( -0.322 0.558 1.921) 2.026 5.075 ( 1.305 3.108 -2.721) 4.332 5.102 ( 1.548 4.250 -0.453) 4.546 5.115 ( -3.205 0.310 -2.497) 4.075 5.205 ( 1.687 6.091 2.383) 6.755 5.293 ( 3.882 5.456 -5.027) 8.373 5.383 ( -0.616 1.001 6.065) 6.178 5.457 ( 1.477 -5.747 -0.327) 5.943 5.487 ( 1.512 -9.043 0.907) 9.214 5.535 ( 3.375 -6.226 -3.041) 7.707 5.623 ( 1.212 4.307 5.944) 7.440 5.752 ( 0.530 2.447 -5.688) 6.215 6.057 ( 2.767 -4.219 2.679) 5.713 6.085 ( 1.033 -5.281 0.234) 5.386 6.238 ( 3.166 -7.575 -0.165) 8.212 6.247 ( 6.043 -7.697 -0.915) 9.829 6.472 ( 3.555 2.334 4.946) 6.523 6.606 ( 2.867 2.427 -6.601) 7.595 7.056 ( -1.336 -8.883 1.239) 9.068 7.067 ( -1.698 -7.899 0.316) 8.085 7.356 ( -6.245 3.924 1.943) 7.627 7.400 ( -6.787 3.051 -1.797) 7.655 7.566 ( -3.145 -4.215 0.591) 5.292 7.575 ( -3.002 -4.202 -0.176) 5.167 7.701 ( -2.886 6.554 0.656) 7.191 7.720 ( -3.105 7.209 -0.962) 7.908 7.932 ( 4.095 -0.423 0.651) 4.168 7.972 ( 3.614 -0.782 -3.259) 4.928 8.146 ( 6.064 2.669 1.145) 6.724 8.183 ( 7.742 2.866 -2.581) 8.649 8.407 ( 9.488 -0.069 5.415) 10.925 8.489 ( 7.075 0.793 -1.830) 7.351 8.602 ( 0.414 3.569 4.915) 6.089 8.744 ( -0.881 0.169 -8.295) 8.343 9.103 ( -6.983 1.225 2.456) 7.503 9.148 ( -5.117 -2.801 0.815) 5.890 9.260 ( -2.027 2.202 4.390) 5.314 9.335 ( -0.340 1.608 -1.649) 2.328 9.409 ( 0.842 1.391 4.033) 4.349 9.555 ( -0.487 -4.597 -6.192) 7.728 9.691 ( 0.553 -1.906 -0.149) 1.991 9.725 ( 1.981 -4.091 -2.907) 5.395 9.972 ( -3.895 -4.329 4.375) 7.283 10.038 ( -2.367 -1.170 -1.999) 3.312 10.106 ( -3.053 -4.225 2.292) 5.694 10.162 ( -0.262 -4.891 -2.481) 5.491 10.381 ( -0.745 -11.569 1.449) 11.683 10.409 ( 0.189 -12.749 -1.033) 12.792 12.048 ( 1.077 -3.147 0.257) 3.336 12.063 ( 0.882 -3.329 -1.264) 3.668 12.167 ( -0.262 -2.600 2.112) 3.360 12.203 ( -0.744 -2.868 -1.118) 3.167 ======================= Grid point 164 (63/70) ======================= q-point: ( 0.25 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 157 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.546 ( 3.613 16.855 1.528) 17.306 2.597 ( 3.815 12.023 -2.850) 12.932 2.785 ( 0.474 19.068 3.394) 19.374 2.814 ( 3.134 11.756 2.359) 12.393 2.912 ( -1.596 11.186 3.979) 11.980 3.063 ( -2.739 5.808 -7.980) 10.243 3.317 ( -3.029 5.567 3.040) 7.029 3.374 ( -0.366 7.021 -2.544) 7.477 3.444 ( -4.083 -1.011 0.765) 4.275 3.530 ( -7.450 -0.816 -6.917) 10.199 3.776 ( 0.091 5.470 2.583) 6.049 3.802 ( -4.755 2.067 0.208) 5.189 3.953 ( -5.453 -2.073 7.326) 9.365 4.115 ( -3.297 4.323 -5.690) 7.870 4.310 ( -4.398 7.768 1.772) 9.101 4.347 ( 0.721 2.537 -2.147) 3.401 4.435 ( -7.804 0.478 1.141) 7.901 4.482 ( -12.887 -2.272 -2.503) 13.323 4.553 ( -0.405 -1.942 4.291) 4.727 4.608 ( 1.542 -2.973 -0.160) 3.353 5.006 ( -0.430 3.644 0.332) 3.684 5.058 ( -1.786 5.119 -4.035) 6.758 5.100 ( 0.500 1.378 1.317) 1.971 5.164 ( 2.904 0.618 -4.376) 5.288 5.242 ( 2.063 9.038 3.866) 10.044 5.303 ( -1.726 1.852 1.239) 2.818 5.413 ( 3.025 2.441 -0.440) 3.911 5.469 ( 0.154 -3.586 -2.933) 4.635 5.523 ( 1.695 -6.822 4.478) 8.334 5.586 ( 2.528 -3.849 -0.809) 4.675 5.679 ( 3.549 -0.455 3.323) 4.883 5.774 ( 1.561 0.713 -4.674) 4.979 6.122 ( 3.304 -5.179 1.462) 6.315 6.132 ( 3.639 -3.508 0.548) 5.084 6.296 ( 2.215 -6.026 1.908) 6.698 6.348 ( 3.027 -5.806 -2.348) 6.956 6.571 ( 5.947 1.297 4.085) 7.331 6.681 ( 4.216 1.280 -5.396) 6.966 7.003 ( -3.877 -6.048 0.785) 7.227 7.012 ( -3.761 -7.378 0.262) 8.285 7.243 ( -4.035 5.479 1.749) 7.026 7.281 ( -4.225 4.166 -1.491) 6.117 7.555 ( 2.034 -6.422 0.180) 6.739 7.556 ( 1.199 -5.802 0.055) 5.925 7.645 ( -2.284 7.486 0.262) 7.831 7.659 ( -2.462 7.271 -0.689) 7.708 8.006 ( 2.679 -2.581 -0.043) 3.720 8.030 ( 1.538 -3.204 -2.260) 4.212 8.281 ( 7.128 4.402 2.717) 8.807 8.345 ( 7.922 4.966 -3.082) 9.845 8.575 ( 4.725 2.420 2.339) 5.801 8.598 ( 2.434 3.112 0.137) 3.953 8.616 ( 1.560 -0.206 3.060) 3.441 8.712 ( -2.172 -1.440 -5.543) 6.126 8.952 ( -7.208 2.651 5.448) 9.416 9.062 ( -3.113 0.484 -3.046) 4.382 9.210 ( -2.157 1.535 6.130) 6.677 9.324 ( -0.326 0.926 -3.940) 4.060 9.419 ( -0.245 1.513 2.305) 2.768 9.517 ( -2.695 -4.498 -5.714) 7.756 9.722 ( 2.077 -3.159 1.452) 4.050 9.766 ( 1.802 -4.876 -1.887) 5.530 9.893 ( -2.779 -7.405 4.308) 9.006 9.983 ( -2.884 -6.240 -2.841) 7.439 10.070 ( -0.239 -3.548 2.558) 4.380 10.141 ( -1.604 -5.796 -3.879) 7.156 10.342 ( -3.095 -9.948 3.113) 10.874 10.391 ( -2.324 -11.112 -1.442) 11.444 12.074 ( 1.354 -2.802 0.354) 3.133 12.087 ( 1.410 -2.870 -0.872) 3.314 12.161 ( -0.298 -2.217 1.296) 2.585 12.184 ( -0.980 -2.329 -0.755) 2.637 ======================= Grid point 165 (64/70) ======================= q-point: ( 0.38 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.622 ( 3.954 11.150 1.235) 11.895 2.673 ( 3.569 7.119 -2.364) 8.307 2.824 ( 2.843 17.464 6.169) 18.739 2.872 ( 1.339 4.584 3.202) 5.750 2.937 ( 4.601 14.731 -2.466) 15.629 2.989 ( -3.712 3.547 -4.133) 6.591 3.178 ( -9.690 0.349 0.785) 9.728 3.283 ( -9.617 4.553 -6.056) 12.243 3.407 ( 2.603 3.663 2.304) 5.050 3.478 ( 3.465 3.014 -3.615) 5.845 3.725 ( -5.685 5.371 3.403) 8.529 3.773 ( -4.213 8.479 -0.414) 9.477 3.873 ( 2.003 4.575 7.365) 8.899 4.043 ( -3.115 3.421 -5.942) 7.531 4.139 ( -10.039 7.044 1.604) 12.369 4.184 ( -9.265 4.646 -1.511) 10.475 4.394 ( 1.432 0.114 1.082) 1.799 4.424 ( 1.769 -2.178 -1.709) 3.285 4.556 ( -0.256 -2.947 3.558) 4.627 4.610 ( -1.490 -3.635 -0.848) 4.019 5.003 ( 0.488 8.146 0.329) 8.167 5.039 ( -0.464 7.454 -2.443) 7.858 5.101 ( -0.008 0.552 1.594) 1.687 5.163 ( -2.410 0.038 -2.369) 3.379 5.271 ( 1.052 0.394 1.923) 2.228 5.305 ( 0.798 0.440 -1.721) 1.947 5.450 ( 0.664 1.233 -1.160) 1.819 5.462 ( -0.504 0.879 -1.630) 1.919 5.592 ( 5.249 -2.795 5.285) 7.955 5.660 ( 4.276 -3.962 -1.431) 6.003 5.729 ( 1.191 -2.028 2.466) 3.408 5.793 ( -0.310 -0.965 -2.801) 2.979 6.193 ( 3.635 -4.903 0.655) 6.138 6.206 ( 3.341 -3.052 -0.357) 4.539 6.319 ( 0.161 -3.387 1.900) 3.887 6.361 ( -1.337 -3.596 -1.711) 4.201 6.694 ( 6.038 -0.912 2.707) 6.680 6.763 ( 3.859 -0.788 -3.258) 5.111 6.913 ( -4.785 -4.834 1.015) 6.877 6.927 ( -4.378 -5.765 -0.004) 7.239 7.201 ( -0.421 7.303 1.193) 7.411 7.229 ( -1.428 5.859 -1.157) 6.141 7.579 ( -0.208 1.443 -0.860) 1.693 7.587 ( -0.846 2.137 -1.623) 2.814 7.656 ( 4.847 -2.374 1.428) 5.583 7.673 ( 4.339 -2.277 0.074) 4.900 8.012 ( -2.364 -5.660 -0.312) 6.142 8.016 ( -2.826 -5.527 -0.754) 6.253 8.422 ( 6.546 6.621 2.722) 9.700 8.486 ( 5.764 5.897 -3.017) 8.781 8.590 ( -1.142 4.709 0.973) 4.942 8.609 ( -1.038 6.391 -0.505) 6.494 8.632 ( 0.352 0.877 1.415) 1.702 8.698 ( 1.742 0.193 -4.157) 4.511 8.827 ( -5.714 2.371 7.427) 9.666 8.974 ( -6.669 1.660 -5.790) 8.986 9.208 ( 2.104 1.048 7.315) 7.684 9.330 ( -0.611 -2.772 1.306) 3.125 9.396 ( 0.006 2.612 -1.652) 3.090 9.482 ( -1.096 -3.110 -4.320) 5.434 9.754 ( 1.179 -3.659 1.085) 3.995 9.785 ( 0.024 -4.185 -0.860) 4.272 9.877 ( 0.559 -9.871 0.981) 9.935 9.940 ( -1.692 -10.256 -3.154) 10.863 10.093 ( 2.327 -5.600 1.090) 6.161 10.127 ( 1.543 -6.324 -1.578) 6.698 10.262 ( -4.755 -9.043 3.653) 10.851 10.316 ( -4.934 -10.463 -1.496) 11.664 12.099 ( 1.116 -2.274 0.515) 2.585 12.114 ( 1.011 -2.310 -0.858) 2.664 12.154 ( -0.350 -2.141 0.792) 2.309 12.168 ( -0.649 -2.024 -0.424) 2.167 ======================= Grid point 166 (65/70) ======================= q-point: (-0.50 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.695 ( -2.307 6.494 1.382) 7.029 2.695 ( 2.307 6.494 1.382) 7.029 2.873 ( -3.765 9.770 0.734) 10.496 2.873 ( 3.765 9.770 0.734) 10.496 2.977 ( -8.454 2.624 0.592) 8.871 2.977 ( 8.454 2.624 0.592) 8.871 3.104 ( -8.026 10.243 -5.087) 13.972 3.104 ( 8.026 10.243 -5.087) 13.972 3.513 ( -5.963 1.309 3.009) 6.806 3.513 ( 5.963 1.309 3.009) 6.806 3.649 ( -5.756 6.387 -0.724) 8.629 3.649 ( 5.756 6.387 -0.724) 8.629 3.972 ( -6.411 8.374 2.251) 10.784 3.972 ( 6.411 8.374 2.251) 10.784 4.055 ( -3.987 7.580 -2.315) 8.872 4.055 ( 3.987 7.580 -2.315) 8.872 4.432 ( -1.399 -3.437 0.673) 3.771 4.432 ( 1.399 -3.437 0.673) 3.771 4.568 ( -1.916 -2.827 0.081) 3.416 4.568 ( 1.916 -2.827 0.081) 3.416 5.024 ( -1.168 9.361 -0.205) 9.436 5.024 ( 1.168 9.361 -0.205) 9.436 5.115 ( -1.657 0.557 0.181) 1.758 5.115 ( 1.657 0.557 0.181) 1.758 5.297 ( -1.271 -3.161 -0.539) 3.449 5.297 ( 1.271 -3.161 -0.539) 3.449 5.456 ( -0.221 1.963 -1.653) 2.576 5.456 ( 0.221 1.963 -1.653) 2.576 5.689 ( -2.963 -4.441 1.954) 5.685 5.689 ( 2.963 -4.441 1.954) 5.685 5.757 ( -2.681 -0.186 -0.235) 2.698 5.757 ( 2.681 -0.186 -0.235) 2.698 6.244 ( -0.391 -3.559 -0.040) 3.581 6.244 ( 0.391 -3.559 -0.040) 3.581 6.324 ( -1.282 -2.873 -0.117) 3.148 6.324 ( 1.282 -2.873 -0.117) 3.148 6.804 ( -4.144 -2.551 1.287) 5.033 6.804 ( 4.144 -2.551 1.287) 5.033 6.848 ( -2.699 -4.053 -0.722) 4.923 6.848 ( 2.699 -4.053 -0.722) 4.923 7.209 ( -0.810 7.684 -0.084) 7.727 7.209 ( 0.810 7.684 -0.084) 7.727 7.573 ( -0.134 3.514 -1.467) 3.810 7.573 ( 0.134 3.514 -1.467) 3.810 7.738 ( -0.603 -5.480 0.866) 5.581 7.738 ( 0.603 -5.480 0.866) 5.581 7.963 ( -0.166 -5.822 -0.327) 5.833 7.963 ( 0.166 -5.821 -0.327) 5.833 8.528 ( -3.743 8.190 1.095) 9.071 8.528 ( 3.743 8.190 1.095) 9.071 8.571 ( -2.185 3.609 -1.152) 4.373 8.571 ( 2.185 3.609 -1.152) 4.373 8.695 ( -5.002 3.702 3.248) 7.019 8.695 ( 5.002 3.702 3.248) 7.019 8.817 ( -7.398 1.304 -4.754) 8.890 8.817 ( 7.398 1.304 -4.754) 8.890 9.273 ( -3.731 -0.520 8.334) 9.145 9.273 ( 3.731 -0.520 8.334) 9.145 9.444 ( -2.870 -1.031 -5.765) 6.522 9.444 ( 2.870 -1.031 -5.765) 6.522 9.776 ( -0.851 -3.739 0.180) 3.839 9.776 ( 0.851 -3.739 0.180) 3.839 9.901 ( -1.858 -10.389 -2.239) 10.789 9.901 ( 1.858 -10.389 -2.239) 10.789 10.163 ( -4.668 -7.971 2.800) 9.652 10.163 ( 4.668 -7.971 2.800) 9.652 10.208 ( -5.436 -9.058 -1.219) 10.634 10.208 ( 5.436 -9.058 -1.219) 10.634 12.117 ( -0.616 -1.906 0.013) 2.003 12.117 ( 0.616 -1.906 0.013) 2.003 12.156 ( -0.504 -2.198 -0.002) 2.255 12.156 ( 0.504 -2.198 -0.002) 2.255 ======================= Grid point 171 (66/70) ======================= q-point: ( 0.00 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.762 ( 0.000 8.993 5.033) 10.306 2.820 ( 0.000 6.349 2.790) 6.936 2.943 ( 0.000 12.859 3.747) 13.394 3.145 ( 0.000 1.386 -11.967) 12.047 3.267 ( 0.000 6.827 -1.033) 6.905 3.296 ( 0.000 5.795 -3.271) 6.655 3.409 ( 0.000 5.700 3.378) 6.626 3.456 ( 0.000 6.598 -0.787) 6.645 3.579 ( 0.000 0.351 4.411) 4.425 3.678 ( 0.000 -7.679 -4.982) 9.153 3.819 ( 0.000 1.714 1.173) 2.076 3.821 ( 0.000 2.423 1.009) 2.625 4.022 ( 0.000 -6.772 -0.607) 6.799 4.047 ( 0.000 -9.990 -2.577) 10.317 4.249 ( 0.000 -1.700 3.518) 3.907 4.278 ( 0.000 -4.502 1.156) 4.648 4.627 ( 0.000 5.709 -0.039) 5.709 4.632 ( 0.000 5.199 -0.399) 5.214 4.874 ( 0.000 0.333 0.406) 0.525 4.888 ( 0.000 -1.514 -1.006) 1.818 4.993 ( 0.000 -0.254 2.345) 2.359 5.013 ( 0.000 -1.590 2.501) 2.963 5.105 ( 0.000 1.342 -0.753) 1.539 5.124 ( 0.000 2.406 -4.963) 5.516 5.215 ( 0.000 -8.094 0.356) 8.102 5.254 ( 0.000 -9.271 -3.798) 10.018 5.388 ( 0.000 1.689 2.943) 3.394 5.416 ( 0.000 3.451 -0.602) 3.503 5.465 ( 0.000 3.424 2.091) 4.012 5.493 ( 0.000 6.688 -1.666) 6.892 5.679 ( 0.000 2.686 5.091) 5.756 5.755 ( 0.000 -2.577 -1.680) 3.076 5.986 ( 0.000 0.894 1.175) 1.476 6.012 ( 0.000 -0.464 -0.982) 1.086 6.054 ( 0.000 -3.750 -0.098) 3.751 6.067 ( 0.000 -5.911 -1.079) 6.009 6.553 ( 0.000 7.982 2.996) 8.526 6.648 ( 0.000 1.982 -5.670) 6.006 6.872 ( 0.000 -6.435 3.272) 7.220 6.914 ( 0.000 -7.462 -0.820) 7.507 7.496 ( 0.000 3.256 1.487) 3.579 7.528 ( 0.000 1.735 -1.280) 2.156 7.567 ( 0.000 -2.594 0.765) 2.705 7.579 ( 0.000 -2.144 -0.253) 2.159 7.815 ( 0.000 1.658 -0.099) 1.661 7.823 ( 0.000 0.664 -0.924) 1.138 7.900 ( 0.000 1.909 0.286) 1.930 7.919 ( 0.000 -0.090 -1.679) 1.681 8.131 ( 0.000 2.779 -0.886) 2.917 8.139 ( 0.000 2.445 -1.677) 2.965 8.333 ( 0.000 1.754 4.143) 4.499 8.384 ( 0.000 -2.610 -0.490) 2.656 8.704 ( 0.000 5.730 3.242) 6.583 8.778 ( 0.000 -0.104 -3.232) 3.234 9.079 ( 0.000 -3.041 3.796) 4.863 9.123 ( 0.000 -5.160 -0.396) 5.175 9.355 ( 0.000 2.464 -0.624) 2.542 9.370 ( 0.000 0.821 -0.957) 1.260 9.446 ( 0.000 2.486 0.143) 2.490 9.489 ( 0.000 -2.102 -4.619) 5.075 9.684 ( 0.000 1.545 1.633) 2.248 9.704 ( 0.000 1.644 0.052) 1.644 9.912 ( 0.000 -3.796 4.889) 6.190 9.994 ( 0.000 -9.292 -1.752) 9.455 10.075 ( 0.000 -0.296 -0.757) 0.812 10.089 ( 0.000 -1.819 -1.359) 2.271 10.240 ( 0.000 -1.937 0.556) 2.016 10.248 ( 0.000 -2.411 -0.126) 2.414 11.992 ( 0.000 -0.929 -0.061) 0.931 12.000 ( 0.000 -1.645 -0.829) 1.842 12.133 ( 0.000 -0.525 1.245) 1.351 12.152 ( 0.000 -2.216 -0.451) 2.261 ======================= Grid point 172 (67/70) ======================= q-point: ( 0.12 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.778 ( 1.399 8.645 4.535) 9.862 2.838 ( 1.645 6.521 2.816) 7.292 2.924 ( -1.710 11.028 2.448) 11.425 3.097 ( -3.646 1.570 -8.860) 9.709 3.244 ( -2.815 7.429 -1.342) 8.057 3.284 ( -2.448 13.216 -2.491) 13.670 3.388 ( -2.043 -4.736 3.363) 6.158 3.441 ( -0.731 3.656 -0.650) 3.785 3.534 ( -3.272 1.853 2.338) 4.428 3.601 ( -6.343 -7.121 -4.880) 10.712 3.813 ( 0.894 2.636 3.169) 4.218 3.850 ( 1.116 1.830 0.181) 2.151 3.980 ( -2.398 -3.249 1.496) 4.307 4.079 ( 1.284 -7.690 -6.520) 10.164 4.291 ( 3.209 -2.074 3.312) 5.057 4.316 ( 2.988 -4.281 1.549) 5.446 4.607 ( -2.983 4.435 -0.209) 5.349 4.609 ( -2.473 4.535 -0.434) 5.184 4.712 ( -11.881 -0.276 1.313) 11.956 4.727 ( -11.961 -1.916 -0.074) 12.113 4.996 ( 0.990 -0.066 1.847) 2.097 5.023 ( 1.450 -2.738 0.465) 3.134 5.131 ( 1.091 2.824 -1.553) 3.403 5.140 ( 0.899 2.811 -3.883) 4.877 5.283 ( 3.472 -7.270 0.079) 8.057 5.299 ( 3.156 -7.847 -1.420) 8.577 5.381 ( -0.747 1.284 3.205) 3.532 5.421 ( 0.287 -0.011 -0.914) 0.958 5.481 ( 1.672 5.917 1.811) 6.410 5.515 ( 2.077 6.161 -2.156) 6.850 5.690 ( 0.710 2.614 4.330) 5.107 5.755 ( -0.170 -2.374 -1.566) 2.849 6.014 ( 2.531 0.712 1.451) 3.003 6.045 ( 3.133 0.841 -1.041) 3.407 6.103 ( 3.871 -5.178 0.515) 6.485 6.128 ( 6.295 -4.601 -1.466) 7.934 6.581 ( 2.575 7.258 2.737) 8.173 6.669 ( 1.891 1.606 -5.305) 5.857 6.877 ( 0.329 -5.945 2.907) 6.626 6.912 ( -0.267 -6.679 -0.622) 6.713 7.431 ( -5.099 3.213 1.064) 6.120 7.455 ( -5.627 2.118 -0.994) 6.094 7.496 ( -4.629 -2.494 0.734) 5.309 7.509 ( -4.758 -2.446 -0.335) 5.361 7.818 ( -0.270 4.608 0.694) 4.668 7.845 ( -0.154 4.456 -1.699) 4.771 7.902 ( 1.020 -2.007 0.718) 2.363 7.936 ( 0.925 -2.782 -2.386) 3.780 8.223 ( 7.795 4.033 0.968) 8.830 8.254 ( 9.508 2.283 -1.813) 9.945 8.405 ( 6.407 0.601 3.451) 7.302 8.462 ( 6.829 -3.419 -1.487) 7.780 8.694 ( -0.833 5.012 3.150) 5.978 8.758 ( -1.862 -0.148 -2.420) 3.057 9.051 ( -2.469 -2.579 3.006) 4.667 9.080 ( -4.077 -3.543 0.228) 5.406 9.336 ( -1.670 3.546 -0.053) 3.920 9.365 ( -0.689 0.868 -2.038) 2.320 9.440 ( -0.470 1.263 0.325) 1.386 9.479 ( -1.142 -2.644 -3.964) 4.900 9.683 ( -0.002 1.134 1.656) 2.007 9.706 ( 0.278 0.845 -0.143) 0.901 9.865 ( -4.197 -3.086 4.662) 6.991 9.943 ( -4.328 -7.996 -1.826) 9.274 10.055 ( -1.537 0.083 -0.259) 1.561 10.081 ( -1.024 -2.359 -2.191) 3.378 10.238 ( -0.584 -2.493 1.060) 2.771 10.252 ( -0.157 -3.589 -0.209) 3.599 12.005 ( 1.237 -0.912 0.013) 1.537 12.012 ( 1.163 -1.542 -0.649) 2.038 12.133 ( -0.011 -0.502 1.026) 1.142 12.149 ( -0.236 -1.982 -0.442) 2.045 ======================= Grid point 173 (68/70) ======================= q-point: ( 0.25 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 157 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.801 ( 0.475 7.676 2.249) 8.013 2.867 ( -0.316 12.575 -2.403) 12.806 2.890 ( -0.356 0.570 4.381) 4.432 3.036 ( -2.036 -0.039 -5.210) 5.594 3.169 ( -3.857 6.031 0.590) 7.183 3.204 ( -4.592 13.696 1.373) 14.511 3.294 ( -6.405 -5.621 4.019) 9.422 3.412 ( -4.159 -4.072 -4.567) 7.398 3.488 ( -0.777 1.378 -0.427) 1.639 3.508 ( -1.026 1.711 0.651) 2.098 3.854 ( 2.036 4.637 1.495) 5.280 3.891 ( 3.841 3.716 0.278) 5.352 3.923 ( -3.170 0.310 0.603) 3.242 4.066 ( -3.096 -7.719 -9.405) 12.555 4.339 ( 0.705 -0.054 3.061) 3.141 4.353 ( -0.577 -1.314 2.094) 2.538 4.441 ( -9.452 -1.101 0.504) 9.530 4.448 ( -9.192 -1.715 -0.209) 9.353 4.572 ( -4.255 3.159 2.585) 5.896 4.600 ( -2.613 0.847 0.089) 2.749 5.030 ( 2.265 0.157 0.408) 2.307 5.057 ( 1.834 -2.579 -1.920) 3.702 5.147 ( 0.634 3.010 -0.017) 3.076 5.167 ( 1.635 2.523 -2.126) 3.682 5.316 ( -0.701 0.797 0.511) 1.178 5.320 ( -0.709 -3.051 0.739) 3.218 5.374 ( 0.748 -4.077 2.619) 4.903 5.435 ( 1.037 -5.940 -2.237) 6.431 5.528 ( 2.814 6.753 1.363) 7.442 5.563 ( 2.565 3.720 -2.117) 4.990 5.697 ( -0.017 0.715 2.853) 2.941 5.744 ( -0.882 -3.344 -1.469) 3.757 6.083 ( 4.235 1.582 1.666) 4.819 6.122 ( 4.383 0.536 -1.857) 4.790 6.208 ( 5.595 -1.674 2.398) 6.313 6.257 ( 5.577 -3.959 -1.946) 7.111 6.641 ( 3.082 4.918 2.027) 6.147 6.709 ( 1.777 0.120 -4.213) 4.574 6.873 ( -1.018 -4.145 2.024) 4.723 6.893 ( -1.902 -4.438 -0.081) 4.829 7.350 ( -2.119 4.606 0.573) 5.103 7.365 ( -2.530 3.687 -0.731) 4.531 7.447 ( 0.150 -4.210 0.405) 4.232 7.452 ( -0.332 -4.116 -0.060) 4.130 7.793 ( -2.004 6.646 0.116) 6.942 7.808 ( -2.715 6.671 -1.159) 7.295 7.923 ( 0.079 -5.054 0.183) 5.058 7.940 ( -0.799 -5.263 -1.390) 5.502 8.392 ( 8.468 5.727 2.406) 10.502 8.452 ( 9.133 3.496 -2.667) 10.137 8.537 ( 5.334 -2.129 1.666) 5.979 8.593 ( 4.346 -3.743 -2.846) 6.403 8.691 ( 1.374 4.549 3.359) 5.820 8.727 ( -0.215 1.529 -0.021) 1.544 8.977 ( -5.518 -0.245 2.328) 5.994 9.001 ( -2.241 -3.726 0.726) 4.408 9.297 ( -2.015 5.294 0.107) 5.665 9.340 ( -1.681 0.971 -3.247) 3.783 9.429 ( -0.794 -1.140 0.270) 1.415 9.443 ( -2.181 -2.921 -1.372) 3.896 9.689 ( 0.566 -0.081 1.586) 1.686 9.716 ( 0.696 -1.275 -0.410) 1.509 9.776 ( -3.856 -1.437 3.209) 5.219 9.850 ( -4.490 -6.172 -2.592) 8.060 10.025 ( -1.319 -0.515 -0.022) 1.416 10.051 ( -1.760 -2.858 -2.286) 4.061 10.203 ( -3.009 -3.163 1.815) 4.728 10.224 ( -2.796 -4.948 -0.164) 5.686 12.036 ( 1.763 -0.767 0.184) 1.931 12.043 ( 1.805 -1.337 -0.387) 2.279 12.131 ( -0.184 -0.523 0.585) 0.806 12.143 ( -0.452 -1.505 -0.379) 1.616 ======================= Grid point 174 (69/70) ======================= q-point: ( 0.38 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.803 ( 0.176 5.690 -0.981) 5.777 2.830 ( -1.686 8.428 -3.657) 9.340 2.894 ( -0.649 -1.471 1.174) 1.991 2.982 ( -4.410 -4.334 -6.017) 8.628 3.127 ( -1.463 7.121 6.976) 10.076 3.142 ( 1.026 6.251 5.679) 8.508 3.189 ( -3.444 3.398 5.917) 7.643 3.317 ( -4.509 -2.319 -3.262) 6.029 3.508 ( 1.948 3.582 1.088) 4.220 3.535 ( 4.153 1.921 -2.663) 5.294 3.759 ( -8.204 3.842 -0.594) 9.079 3.870 ( -8.141 -2.446 -7.172) 11.123 4.004 ( 6.465 4.875 0.117) 8.097 4.035 ( 4.260 0.721 -2.653) 5.070 4.263 ( -4.539 2.868 0.824) 5.432 4.283 ( -4.581 1.759 -1.460) 5.120 4.357 ( -0.745 -1.034 3.651) 3.867 4.387 ( -1.139 0.036 0.911) 1.459 4.492 ( -2.981 -1.755 4.020) 5.303 4.540 ( -3.402 -3.596 -0.386) 4.965 5.078 ( 2.366 0.142 -0.296) 2.389 5.097 ( 2.236 -1.116 -2.093) 3.260 5.150 ( -0.523 2.670 1.782) 3.253 5.187 ( -0.254 0.443 -1.211) 1.314 5.280 ( -1.402 3.463 1.632) 4.077 5.300 ( -1.097 4.516 -0.714) 4.702 5.401 ( 1.390 -6.434 1.195) 6.690 5.443 ( -0.386 -5.866 -2.150) 6.259 5.585 ( 2.657 3.321 1.014) 4.373 5.613 ( 2.012 1.141 -1.604) 2.815 5.694 ( -0.100 -2.744 1.742) 3.252 5.723 ( -1.129 -4.975 -0.972) 5.193 6.178 ( 5.045 2.593 1.539) 5.877 6.213 ( 4.361 0.914 -1.500) 4.702 6.290 ( 2.017 0.423 1.652) 2.642 6.322 ( 0.663 -1.488 -1.206) 2.027 6.701 ( 3.089 1.566 1.203) 3.666 6.740 ( 1.557 -1.580 -2.295) 3.192 6.835 ( -2.577 -2.400 0.904) 3.636 6.838 ( -3.332 -2.229 0.447) 4.033 7.349 ( 1.465 6.659 0.044) 6.819 7.356 ( 1.046 5.959 -0.518) 6.072 7.486 ( 2.797 -5.840 -0.116) 6.476 7.489 ( 2.998 -6.098 -0.305) 6.802 7.754 ( -1.338 5.896 -0.240) 6.051 7.759 ( -1.603 5.797 -0.618) 6.046 7.893 ( -2.803 -5.499 0.202) 6.176 7.899 ( -3.075 -5.586 -0.325) 6.384 8.539 ( 5.573 4.514 1.361) 7.300 8.581 ( 3.048 3.267 -2.378) 5.061 8.606 ( 2.579 -1.687 -0.023) 3.082 8.631 ( 0.728 -1.147 -2.032) 2.444 8.749 ( 2.808 4.388 2.317) 5.702 8.757 ( 3.411 4.510 1.769) 5.925 8.876 ( -4.137 2.314 4.163) 6.309 8.955 ( -3.383 -4.000 -2.061) 5.629 9.268 ( -0.429 5.243 1.302) 5.419 9.313 ( -0.965 1.531 -1.250) 2.200 9.395 ( -1.450 -3.159 0.510) 3.513 9.420 ( -0.858 -3.969 -1.009) 4.184 9.701 ( 0.630 -1.085 1.089) 1.661 9.726 ( -0.288 -3.729 0.487) 3.772 9.732 ( -0.138 -0.635 -1.097) 1.275 9.777 ( -2.688 -4.849 -3.148) 6.375 10.012 ( 0.285 -1.879 0.268) 1.920 10.027 ( -0.043 -3.144 -1.023) 3.307 10.125 ( -4.413 -3.409 2.069) 5.948 10.147 ( -4.503 -5.341 -0.037) 6.986 12.071 ( 1.637 -0.420 0.317) 1.719 12.079 ( 1.691 -1.094 -0.377) 2.049 12.123 ( -0.648 -0.647 0.379) 0.991 12.131 ( -0.690 -1.296 -0.307) 1.500 ======================= Grid point 175 (70/70) ======================= q-point: (-0.50 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.812 ( -0.594 5.120 -2.265) 5.630 2.812 ( 0.594 5.120 -2.265) 5.630 2.898 ( -2.523 -3.025 -3.892) 5.537 2.898 ( 2.523 -3.024 -3.892) 5.537 3.129 ( -1.621 7.913 8.693) 11.866 3.129 ( 1.621 7.913 8.693) 11.866 3.224 ( -4.743 -0.286 2.984) 5.611 3.224 ( 4.743 -0.286 2.984) 5.611 3.584 ( -4.697 6.006 -2.471) 8.015 3.584 ( 4.697 6.006 -2.471) 8.015 3.688 ( -7.099 -2.514 -4.477) 8.762 3.688 ( 7.099 -2.514 -4.477) 8.762 4.108 ( -1.386 6.551 -1.280) 6.818 4.108 ( 1.386 6.551 -1.280) 6.818 4.209 ( -1.370 1.435 -1.193) 2.315 4.209 ( 1.370 1.435 -1.193) 2.315 4.358 ( -1.024 1.367 2.999) 3.452 4.358 ( 1.024 1.367 2.999) 3.452 4.482 ( -1.767 -6.007 1.557) 6.453 4.482 ( 1.767 -6.007 1.557) 6.453 5.121 ( -1.715 0.906 0.608) 2.033 5.121 ( 1.715 0.906 0.608) 2.033 5.151 ( -2.526 -0.706 -0.961) 2.794 5.151 ( 2.527 -0.706 -0.961) 2.794 5.280 ( -0.893 6.032 0.232) 6.103 5.280 ( 0.893 6.032 0.232) 6.103 5.426 ( -1.148 -5.449 -0.880) 5.638 5.426 ( 1.148 -5.449 -0.880) 5.638 5.625 ( -0.980 0.621 0.144) 1.170 5.625 ( 0.980 0.621 0.144) 1.170 5.702 ( -0.907 -5.135 0.094) 5.215 5.702 ( 0.907 -5.135 0.094) 5.215 6.262 ( -1.891 3.094 0.195) 3.632 6.262 ( 1.891 3.094 0.195) 3.632 6.301 ( -1.412 -0.577 -0.031) 1.526 6.301 ( 1.412 -0.577 -0.031) 1.526 6.767 ( -3.289 -0.667 0.678) 3.423 6.767 ( 3.289 -0.667 0.678) 3.423 6.782 ( -2.353 -2.076 -0.373) 3.160 6.782 ( 2.353 -2.076 -0.373) 3.160 7.373 ( -0.129 7.796 -0.256) 7.801 7.373 ( 0.129 7.796 -0.256) 7.801 7.522 ( -0.186 -6.612 -0.926) 6.679 7.522 ( 0.186 -6.612 -0.926) 6.679 7.750 ( -0.212 4.527 0.406) 4.550 7.750 ( 0.212 4.527 0.406) 4.550 7.851 ( -0.232 -5.160 -0.156) 5.168 7.851 ( 0.232 -5.160 -0.156) 5.168 8.612 ( -1.608 1.667 -0.179) 2.324 8.612 ( 1.608 1.667 -0.179) 2.324 8.622 ( -0.878 0.812 -0.717) 1.394 8.622 ( 0.878 0.812 -0.717) 1.394 8.812 ( -2.679 5.082 2.593) 6.303 8.812 ( 2.679 5.082 2.593) 6.303 8.852 ( -6.083 0.994 -0.719) 6.205 8.852 ( 6.083 0.994 -0.719) 6.205 9.285 ( -1.690 3.336 2.440) 4.466 9.285 ( 1.690 3.336 2.440) 4.466 9.397 ( -1.234 -5.059 -1.667) 5.468 9.397 ( 1.234 -5.059 -1.667) 5.468 9.716 ( -0.734 -1.397 -0.213) 1.592 9.716 ( 0.734 -1.397 -0.213) 1.592 9.741 ( -0.968 -4.117 -2.293) 4.810 9.741 ( 0.968 -4.117 -2.293) 4.810 10.044 ( -2.827 -2.861 1.462) 4.279 10.044 ( 2.827 -2.861 1.462) 4.279 10.063 ( -3.128 -4.509 -0.176) 5.490 10.063 ( 3.128 -4.509 -0.176) 5.490 12.098 ( -0.668 -0.006 0.004) 0.668 12.098 ( 0.668 -0.006 0.004) 0.668 12.115 ( -0.641 -1.599 -0.000) 1.723 12.115 ( 0.641 -1.599 -0.000) 1.723 =================== 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 3/22464 10.0 2448.026 2348.524 2222.403 0.000 0.000 -0.000 3/22464 20.0 448.481 513.213 283.802 0.000 0.000 0.000 3/22464 30.0 126.668 172.854 69.962 0.000 0.000 0.000 3/22464 40.0 53.565 81.880 28.513 0.000 0.000 0.000 3/22464 50.0 29.486 48.223 15.479 0.000 0.000 0.000 3/22464 60.0 19.106 32.527 9.961 0.000 0.000 0.000 3/22464 70.0 13.733 23.964 7.132 0.000 0.000 0.000 3/22464 80.0 10.579 18.755 5.482 0.000 0.000 0.000 3/22464 90.0 8.554 15.327 4.427 0.000 0.000 0.000 3/22464 100.0 7.165 12.932 3.706 0.000 0.000 0.000 3/22464 110.0 6.162 11.180 3.187 0.000 0.000 0.000 3/22464 120.0 5.409 9.848 2.797 0.000 0.000 0.000 3/22464 130.0 4.823 8.805 2.494 0.000 0.000 0.000 3/22464 140.0 4.356 7.968 2.253 0.000 0.000 0.000 3/22464 150.0 3.974 7.281 2.056 0.000 0.000 0.000 3/22464 160.0 3.657 6.707 1.892 0.000 0.000 0.000 3/22464 170.0 3.389 6.221 1.753 0.000 0.000 0.000 3/22464 180.0 3.160 5.803 1.635 0.000 0.000 0.000 3/22464 190.0 2.961 5.440 1.532 0.000 0.000 0.000 3/22464 200.0 2.786 5.122 1.442 0.000 0.000 0.000 3/22464 210.0 2.633 4.840 1.362 0.000 0.000 0.000 3/22464 220.0 2.495 4.590 1.291 0.000 0.000 0.000 3/22464 230.0 2.373 4.364 1.228 0.000 0.000 0.000 3/22464 240.0 2.262 4.161 1.170 0.000 0.000 0.000 3/22464 250.0 2.161 3.977 1.118 0.000 0.000 0.000 3/22464 260.0 2.070 3.808 1.071 0.000 0.000 0.000 3/22464 270.0 1.986 3.654 1.027 0.000 0.000 0.000 3/22464 280.0 1.909 3.513 0.987 0.000 0.000 0.000 3/22464 290.0 1.837 3.382 0.951 0.000 0.000 0.000 3/22464 300.0 1.772 3.261 0.917 0.000 0.000 0.000 3/22464 310.0 1.710 3.148 0.885 0.000 0.000 0.000 3/22464 320.0 1.653 3.043 0.855 0.000 0.000 0.000 3/22464 330.0 1.600 2.945 0.828 0.000 0.000 0.000 3/22464 340.0 1.550 2.854 0.802 0.000 0.000 0.000 3/22464 350.0 1.504 2.768 0.778 0.000 0.000 0.000 3/22464 360.0 1.460 2.687 0.755 0.000 0.000 0.000 3/22464 370.0 1.418 2.611 0.734 0.000 0.000 0.000 3/22464 380.0 1.379 2.539 0.713 0.000 0.000 0.000 3/22464 390.0 1.342 2.471 0.694 0.000 0.000 0.000 3/22464 400.0 1.307 2.407 0.676 0.000 0.000 0.000 3/22464 410.0 1.274 2.346 0.659 0.000 0.000 0.000 3/22464 420.0 1.243 2.288 0.643 0.000 0.000 0.000 3/22464 430.0 1.213 2.233 0.627 0.000 0.000 0.000 3/22464 440.0 1.184 2.180 0.613 0.000 0.000 0.000 3/22464 450.0 1.157 2.130 0.599 0.000 0.000 0.000 3/22464 460.0 1.131 2.083 0.585 0.000 0.000 0.000 3/22464 470.0 1.107 2.037 0.572 0.000 0.000 0.000 3/22464 480.0 1.083 1.993 0.560 0.000 0.000 0.000 3/22464 490.0 1.060 1.952 0.548 0.000 0.000 0.000 3/22464 500.0 1.038 1.911 0.537 0.000 0.000 0.000 3/22464 510.0 1.018 1.873 0.526 0.000 0.000 0.000 3/22464 520.0 0.998 1.836 0.516 0.000 0.000 0.000 3/22464 530.0 0.978 1.801 0.506 0.000 0.000 0.000 3/22464 540.0 0.960 1.767 0.496 0.000 0.000 0.000 3/22464 550.0 0.942 1.734 0.487 0.000 0.000 0.000 3/22464 560.0 0.925 1.702 0.478 0.000 0.000 0.000 3/22464 570.0 0.908 1.672 0.470 0.000 0.000 0.000 3/22464 580.0 0.892 1.642 0.461 0.000 0.000 0.000 3/22464 590.0 0.877 1.614 0.453 0.000 0.000 0.000 3/22464 600.0 0.862 1.587 0.446 0.000 0.000 0.000 3/22464 610.0 0.848 1.560 0.438 0.000 0.000 0.000 3/22464 620.0 0.834 1.535 0.431 0.000 0.000 0.000 3/22464 630.0 0.820 1.510 0.424 0.000 0.000 0.000 3/22464 640.0 0.807 1.486 0.417 0.000 0.000 0.000 3/22464 650.0 0.795 1.463 0.411 0.000 0.000 0.000 3/22464 660.0 0.782 1.440 0.405 0.000 0.000 0.000 3/22464 670.0 0.771 1.418 0.398 0.000 0.000 0.000 3/22464 680.0 0.759 1.397 0.393 0.000 0.000 0.000 3/22464 690.0 0.748 1.377 0.387 0.000 0.000 0.000 3/22464 700.0 0.737 1.357 0.381 0.000 0.000 0.000 3/22464 710.0 0.727 1.338 0.376 0.000 0.000 0.000 3/22464 720.0 0.716 1.319 0.370 0.000 0.000 0.000 3/22464 730.0 0.706 1.300 0.365 0.000 0.000 0.000 3/22464 740.0 0.697 1.283 0.360 0.000 0.000 0.000 3/22464 750.0 0.687 1.265 0.355 0.000 0.000 0.000 3/22464 760.0 0.678 1.249 0.351 0.000 0.000 0.000 3/22464 770.0 0.669 1.232 0.346 0.000 0.000 0.000 3/22464 780.0 0.661 1.216 0.342 0.000 0.000 0.000 3/22464 790.0 0.652 1.201 0.337 0.000 0.000 0.000 3/22464 800.0 0.644 1.185 0.333 0.000 0.000 0.000 3/22464 810.0 0.636 1.171 0.329 0.000 0.000 0.000 3/22464 820.0 0.628 1.156 0.325 0.000 0.000 0.000 3/22464 830.0 0.621 1.142 0.321 0.000 0.000 0.000 3/22464 840.0 0.613 1.129 0.317 0.000 0.000 0.000 3/22464 850.0 0.606 1.115 0.313 0.000 0.000 0.000 3/22464 860.0 0.599 1.102 0.310 0.000 0.000 0.000 3/22464 870.0 0.592 1.089 0.306 0.000 0.000 0.000 3/22464 880.0 0.585 1.077 0.302 0.000 0.000 0.000 3/22464 890.0 0.578 1.065 0.299 0.000 0.000 0.000 3/22464 900.0 0.572 1.053 0.296 0.000 0.000 0.000 3/22464 910.0 0.566 1.041 0.292 0.000 0.000 0.000 3/22464 920.0 0.559 1.030 0.289 0.000 0.000 0.000 3/22464 930.0 0.553 1.018 0.286 0.000 0.000 0.000 3/22464 940.0 0.547 1.008 0.283 0.000 0.000 0.000 3/22464 950.0 0.542 0.997 0.280 0.000 0.000 0.000 3/22464 960.0 0.536 0.986 0.277 0.000 0.000 0.000 3/22464 970.0 0.530 0.976 0.274 0.000 0.000 0.000 3/22464 980.0 0.525 0.966 0.271 0.000 0.000 0.000 3/22464 990.0 0.520 0.956 0.269 0.000 0.000 0.000 3/22464 1000.0 0.514 0.947 0.266 0.000 0.000 0.000 3/22464 Thermal conductivity related properties were written into "kappa-m8133.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:09:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|