----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:18:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.695652140000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.868005250000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.236185300000002 Atomic positions (fractional): *1 Be 0.76150519872405 0.25000000000000 0.41856847517386 9.012 2 Be 0.73849480127595 0.75000000000000 0.91856847517386 9.012 3 Be 0.26150519872405 0.25000000000000 0.08143152482614 9.012 4 Be 0.23849480127595 0.75000000000000 0.58143152482614 9.012 *5 F 0.81133851002190 0.53273356172989 0.84957082341674 18.998 6 F 0.18866148997810 0.03273356172989 0.15042917658326 18.998 7 F 0.68866148997810 0.03273356172989 0.34957082341674 18.998 8 F 0.31133851002190 0.53273356172989 0.65042917658326 18.998 9 F 0.31133851002190 0.96726643827011 0.65042917658326 18.998 10 F 0.81133851002190 0.96726643827011 0.84957082341674 18.998 11 F 0.68866148997810 0.46726643827011 0.34957082341674 18.998 12 F 0.18866148997810 0.46726643827011 0.15042917658326 18.998 *13 F 0.03671224777904 0.75000000000000 0.58841338789788 18.998 14 F 0.96328775222096 0.25000000000000 0.41158661210212 18.998 15 F 0.46328775222096 0.25000000000000 0.08841338789788 18.998 16 F 0.53671224777904 0.75000000000000 0.91158661210212 18.998 *17 F 0.30665612178133 0.75000000000000 0.43696319198450 18.998 18 F 0.69334387821867 0.25000000000000 0.56303680801550 18.998 19 F 0.19334387821867 0.25000000000000 0.93696319198450 18.998 20 F 0.80665612178133 0.75000000000000 0.06303680801550 18.998 *21 Rb 0.48528326811429 0.75000000000000 0.18970256101034 85.468 22 Rb 0.51471673188571 0.25000000000000 0.81029743898966 85.468 23 Rb 0.01471673188571 0.25000000000000 0.68970256101034 85.468 24 Rb 0.98528326811429 0.75000000000000 0.31029743898966 85.468 *25 Rb 0.16101302737054 0.75000000000000 0.90619305070717 85.468 26 Rb 0.83898697262946 0.25000000000000 0.09380694929283 85.468 27 Rb 0.33898697262946 0.25000000000000 0.40619305070717 85.468 28 Rb 0.66101302737054 0.75000000000000 0.59380694929283 85.468 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.695652140000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.868005250000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.236185300000002 Atomic positions (fractional): *1 Be 0.76150519872405 0.25000000000000 0.41856847517386 9.012 > 1 2 Be 0.73849480127595 0.75000000000000 0.91856847517386 9.012 > 2 3 Be 0.26150519872405 0.25000000000000 0.08143152482614 9.012 > 3 4 Be 0.23849480127595 0.75000000000000 0.58143152482614 9.012 > 4 *5 F 0.81133851002190 0.53273356172989 0.84957082341674 18.998 > 5 6 F 0.18866148997810 0.03273356172989 0.15042917658326 18.998 > 6 7 F 0.68866148997810 0.03273356172989 0.34957082341674 18.998 > 7 8 F 0.31133851002190 0.53273356172989 0.65042917658326 18.998 > 8 9 F 0.31133851002190 0.96726643827011 0.65042917658326 18.998 > 9 10 F 0.81133851002190 0.96726643827011 0.84957082341674 18.998 > 10 11 F 0.68866148997810 0.46726643827011 0.34957082341674 18.998 > 11 12 F 0.18866148997810 0.46726643827011 0.15042917658326 18.998 > 12 *13 F 0.03671224777904 0.75000000000000 0.58841338789788 18.998 > 13 14 F 0.96328775222096 0.25000000000000 0.41158661210212 18.998 > 14 15 F 0.46328775222096 0.25000000000000 0.08841338789788 18.998 > 15 16 F 0.53671224777904 0.75000000000000 0.91158661210212 18.998 > 16 *17 F 0.30665612178133 0.75000000000000 0.43696319198450 18.998 > 17 18 F 0.69334387821867 0.25000000000000 0.56303680801550 18.998 > 18 19 F 0.19334387821867 0.25000000000000 0.93696319198450 18.998 > 19 20 F 0.80665612178133 0.75000000000000 0.06303680801550 18.998 > 20 *21 Rb 0.48528326811429 0.75000000000000 0.18970256101034 85.468 > 21 22 Rb 0.51471673188571 0.25000000000000 0.81029743898966 85.468 > 22 23 Rb 0.01471673188571 0.25000000000000 0.68970256101034 85.468 > 23 24 Rb 0.98528326811429 0.75000000000000 0.31029743898966 85.468 > 24 *25 Rb 0.16101302737054 0.75000000000000 0.90619305070717 85.468 > 25 26 Rb 0.83898697262946 0.25000000000000 0.09380694929283 85.468 > 26 27 Rb 0.33898697262946 0.25000000000000 0.40619305070717 85.468 > 27 28 Rb 0.66101302737054 0.75000000000000 0.59380694929283 85.468 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.391304280000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.736010500000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.236185300000002 Atomic positions (fractional): *1 Be 0.38075259936202 0.12500000000000 0.41856847517386 9.012 > 1 2 Be 0.88075259936202 0.12500000000000 0.41856847517386 9.012 > 1 3 Be 0.38075259936202 0.62500000000000 0.41856847517386 9.012 > 1 4 Be 0.88075259936202 0.62500000000000 0.41856847517386 9.012 > 1 5 Be 0.36924740063798 0.37500000000000 0.91856847517386 9.012 > 2 6 Be 0.86924740063798 0.37500000000000 0.91856847517386 9.012 > 2 7 Be 0.36924740063798 0.87500000000000 0.91856847517386 9.012 > 2 8 Be 0.86924740063798 0.87500000000000 0.91856847517386 9.012 > 2 9 Be 0.13075259936202 0.12500000000000 0.08143152482614 9.012 > 3 10 Be 0.63075259936202 0.12500000000000 0.08143152482614 9.012 > 3 11 Be 0.13075259936202 0.62500000000000 0.08143152482614 9.012 > 3 12 Be 0.63075259936202 0.62500000000000 0.08143152482614 9.012 > 3 13 Be 0.11924740063797 0.37500000000000 0.58143152482614 9.012 > 4 14 Be 0.61924740063798 0.37500000000000 0.58143152482614 9.012 > 4 15 Be 0.11924740063797 0.87500000000000 0.58143152482614 9.012 > 4 16 Be 0.61924740063798 0.87500000000000 0.58143152482614 9.012 > 4 *17 F 0.40566925501095 0.26636678086494 0.84957082341674 18.998 > 5 18 F 0.90566925501095 0.26636678086494 0.84957082341674 18.998 > 5 19 F 0.40566925501095 0.76636678086495 0.84957082341674 18.998 > 5 20 F 0.90566925501095 0.76636678086495 0.84957082341674 18.998 > 5 21 F 0.09433074498905 0.01636678086494 0.15042917658326 18.998 > 6 22 F 0.59433074498905 0.01636678086494 0.15042917658326 18.998 > 6 23 F 0.09433074498905 0.51636678086495 0.15042917658326 18.998 > 6 24 F 0.59433074498905 0.51636678086495 0.15042917658326 18.998 > 6 25 F 0.34433074498905 0.01636678086494 0.34957082341674 18.998 > 7 26 F 0.84433074498905 0.01636678086494 0.34957082341674 18.998 > 7 27 F 0.34433074498905 0.51636678086495 0.34957082341674 18.998 > 7 28 F 0.84433074498905 0.51636678086495 0.34957082341674 18.998 > 7 29 F 0.15566925501095 0.26636678086494 0.65042917658326 18.998 > 8 30 F 0.65566925501095 0.26636678086494 0.65042917658326 18.998 > 8 31 F 0.15566925501095 0.76636678086495 0.65042917658326 18.998 > 8 32 F 0.65566925501095 0.76636678086495 0.65042917658326 18.998 > 8 33 F 0.15566925501095 0.48363321913506 0.65042917658326 18.998 > 9 34 F 0.65566925501095 0.48363321913506 0.65042917658326 18.998 > 9 35 F 0.15566925501095 0.98363321913505 0.65042917658326 18.998 > 9 36 F 0.65566925501095 0.98363321913505 0.65042917658326 18.998 > 9 37 F 0.40566925501095 0.48363321913506 0.84957082341674 18.998 > 10 38 F 0.90566925501095 0.48363321913506 0.84957082341674 18.998 > 10 39 F 0.40566925501095 0.98363321913505 0.84957082341674 18.998 > 10 40 F 0.90566925501095 0.98363321913505 0.84957082341674 18.998 > 10 41 F 0.34433074498905 0.23363321913505 0.34957082341674 18.998 > 11 42 F 0.84433074498905 0.23363321913505 0.34957082341674 18.998 > 11 43 F 0.34433074498905 0.73363321913505 0.34957082341674 18.998 > 11 44 F 0.84433074498905 0.73363321913505 0.34957082341674 18.998 > 11 45 F 0.09433074498905 0.23363321913505 0.15042917658326 18.998 > 12 46 F 0.59433074498905 0.23363321913505 0.15042917658326 18.998 > 12 47 F 0.09433074498905 0.73363321913505 0.15042917658326 18.998 > 12 48 F 0.59433074498905 0.73363321913505 0.15042917658326 18.998 > 12 *49 F 0.01835612388952 0.37500000000000 0.58841338789788 18.998 > 13 50 F 0.51835612388952 0.37500000000000 0.58841338789788 18.998 > 13 51 F 0.01835612388952 0.87500000000000 0.58841338789788 18.998 > 13 52 F 0.51835612388952 0.87500000000000 0.58841338789788 18.998 > 13 53 F 0.48164387611048 0.12500000000000 0.41158661210212 18.998 > 14 54 F 0.98164387611048 0.12500000000000 0.41158661210212 18.998 > 14 55 F 0.48164387611048 0.62500000000000 0.41158661210212 18.998 > 14 56 F 0.98164387611048 0.62500000000000 0.41158661210212 18.998 > 14 57 F 0.23164387611048 0.12500000000000 0.08841338789788 18.998 > 15 58 F 0.73164387611048 0.12500000000000 0.08841338789788 18.998 > 15 59 F 0.23164387611048 0.62500000000000 0.08841338789788 18.998 > 15 60 F 0.73164387611048 0.62500000000000 0.08841338789788 18.998 > 15 61 F 0.26835612388952 0.37500000000000 0.91158661210212 18.998 > 16 62 F 0.76835612388952 0.37500000000000 0.91158661210212 18.998 > 16 63 F 0.26835612388952 0.87500000000000 0.91158661210212 18.998 > 16 64 F 0.76835612388952 0.87500000000000 0.91158661210212 18.998 > 16 *65 F 0.15332806089066 0.37500000000000 0.43696319198450 18.998 > 17 66 F 0.65332806089066 0.37500000000000 0.43696319198450 18.998 > 17 67 F 0.15332806089066 0.87500000000000 0.43696319198450 18.998 > 17 68 F 0.65332806089066 0.87500000000000 0.43696319198450 18.998 > 17 69 F 0.34667193910934 0.12500000000000 0.56303680801550 18.998 > 18 70 F 0.84667193910934 0.12500000000000 0.56303680801550 18.998 > 18 71 F 0.34667193910934 0.62500000000000 0.56303680801550 18.998 > 18 72 F 0.84667193910934 0.62500000000000 0.56303680801550 18.998 > 18 73 F 0.09667193910934 0.12500000000000 0.93696319198450 18.998 > 19 74 F 0.59667193910934 0.12500000000000 0.93696319198450 18.998 > 19 75 F 0.09667193910934 0.62500000000000 0.93696319198450 18.998 > 19 76 F 0.59667193910934 0.62500000000000 0.93696319198450 18.998 > 19 77 F 0.40332806089066 0.37500000000000 0.06303680801550 18.998 > 20 78 F 0.90332806089066 0.37500000000000 0.06303680801550 18.998 > 20 79 F 0.40332806089066 0.87500000000000 0.06303680801550 18.998 > 20 80 F 0.90332806089066 0.87500000000000 0.06303680801550 18.998 > 20 *81 Rb 0.24264163405715 0.37500000000000 0.18970256101034 85.468 > 21 82 Rb 0.74264163405715 0.37500000000000 0.18970256101034 85.468 > 21 83 Rb 0.24264163405715 0.87500000000000 0.18970256101034 85.468 > 21 84 Rb 0.74264163405715 0.87500000000000 0.18970256101034 85.468 > 21 85 Rb 0.25735836594285 0.12500000000000 0.81029743898966 85.468 > 22 86 Rb 0.75735836594285 0.12500000000000 0.81029743898966 85.468 > 22 87 Rb 0.25735836594285 0.62500000000000 0.81029743898966 85.468 > 22 88 Rb 0.75735836594285 0.62500000000000 0.81029743898966 85.468 > 22 89 Rb 0.00735836594286 0.12500000000000 0.68970256101034 85.468 > 23 90 Rb 0.50735836594285 0.12500000000000 0.68970256101034 85.468 > 23 91 Rb 0.00735836594286 0.62500000000000 0.68970256101034 85.468 > 23 92 Rb 0.50735836594285 0.62500000000000 0.68970256101034 85.468 > 23 93 Rb 0.49264163405715 0.37500000000000 0.31029743898966 85.468 > 24 94 Rb 0.99264163405715 0.37500000000000 0.31029743898966 85.468 > 24 95 Rb 0.49264163405715 0.87500000000000 0.31029743898966 85.468 > 24 96 Rb 0.99264163405715 0.87500000000000 0.31029743898966 85.468 > 24 *97 Rb 0.08050651368527 0.37500000000000 0.90619305070717 85.468 > 25 98 Rb 0.58050651368527 0.37500000000000 0.90619305070717 85.468 > 25 99 Rb 0.08050651368527 0.87500000000000 0.90619305070717 85.468 > 25 100 Rb 0.58050651368527 0.87500000000000 0.90619305070717 85.468 > 25 101 Rb 0.41949348631473 0.12500000000000 0.09380694929283 85.468 > 26 102 Rb 0.91949348631473 0.12500000000000 0.09380694929283 85.468 > 26 103 Rb 0.41949348631473 0.62500000000000 0.09380694929283 85.468 > 26 104 Rb 0.91949348631473 0.62500000000000 0.09380694929283 85.468 > 26 105 Rb 0.16949348631473 0.12500000000000 0.40619305070717 85.468 > 27 106 Rb 0.66949348631473 0.12500000000000 0.40619305070717 85.468 > 27 107 Rb 0.16949348631473 0.62500000000000 0.40619305070717 85.468 > 27 108 Rb 0.66949348631473 0.62500000000000 0.40619305070717 85.468 > 27 109 Rb 0.33050651368527 0.37500000000000 0.59380694929283 85.468 > 28 110 Rb 0.83050651368527 0.37500000000000 0.59380694929283 85.468 > 28 111 Rb 0.33050651368527 0.87500000000000 0.59380694929283 85.468 > 28 112 Rb 0.83050651368527 0.87500000000000 0.59380694929283 85.468 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.0910198 0.0000000 0.0000000 0.0000000 2.0767798 0.0000000 0.0000000 0.0000000 2.0804976 -------------------------- Born effective charges -------------------------- 1 Be 1.7205453 0.0000000 -0.0164459 0.0000000 1.7158953 0.0000000 -0.0127980 0.0000000 1.6996229 2 Be 1.7205453 0.0000000 0.0164459 0.0000000 1.7158953 0.0000000 0.0127980 0.0000000 1.6996229 3 Be 1.7205453 0.0000000 0.0164459 0.0000000 1.7158953 0.0000000 0.0127980 0.0000000 1.6996229 4 Be 1.7205453 0.0000000 -0.0164459 0.0000000 1.7158953 0.0000000 -0.0127980 0.0000000 1.6996229 5 F -0.9862828 0.0977019 0.0541279 0.1030866 -1.1818386 -0.1724965 0.0549760 -0.1694240 -0.9832695 6 F -0.9862828 -0.0977019 0.0541279 -0.1030866 -1.1818386 0.1724965 0.0549760 0.1694240 -0.9832695 7 F -0.9862828 -0.0977019 -0.0541279 -0.1030866 -1.1818386 -0.1724965 -0.0549760 -0.1694240 -0.9832695 8 F -0.9862828 0.0977019 -0.0541279 0.1030866 -1.1818386 0.1724965 -0.0549760 0.1694240 -0.9832695 9 F -0.9862828 -0.0977019 -0.0541279 -0.1030866 -1.1818386 -0.1724965 -0.0549760 -0.1694240 -0.9832695 10 F -0.9862828 -0.0977019 0.0541279 -0.1030866 -1.1818386 0.1724965 0.0549760 0.1694240 -0.9832695 11 F -0.9862828 0.0977019 -0.0541279 0.1030866 -1.1818386 0.1724965 -0.0549760 0.1694240 -0.9832695 12 F -0.9862828 0.0977019 0.0541279 0.1030866 -1.1818386 -0.1724965 0.0549760 -0.1694240 -0.9832695 13 F -1.3301095 0.0000000 -0.0106360 0.0000000 -0.8682391 0.0000000 -0.0116728 0.0000000 -0.9142329 14 F -1.3301095 0.0000000 -0.0106360 0.0000000 -0.8682391 0.0000000 -0.0116728 0.0000000 -0.9142329 15 F -1.3301095 0.0000000 0.0106360 0.0000000 -0.8682391 0.0000000 0.0116728 0.0000000 -0.9142329 16 F -1.3301095 0.0000000 0.0106360 0.0000000 -0.8682391 0.0000000 0.0116728 0.0000000 -0.9142329 17 F -0.9525068 0.0000000 0.1018173 0.0000000 -0.9295917 0.0000000 0.1062337 0.0000000 -1.2796084 18 F -0.9525068 0.0000000 0.1018173 0.0000000 -0.9295917 0.0000000 0.1062337 0.0000000 -1.2796084 19 F -0.9525068 0.0000000 -0.1018173 0.0000000 -0.9295917 0.0000000 -0.1062337 0.0000000 -1.2796084 20 F -0.9525068 0.0000000 -0.1018173 0.0000000 -0.9295917 0.0000000 -0.1062337 0.0000000 -1.2796084 21 Rb 1.2710447 0.0000000 0.0013356 0.0000000 1.2031365 0.0000000 0.0045660 0.0000000 1.2428721 22 Rb 1.2710447 0.0000000 0.0013356 0.0000000 1.2031365 0.0000000 0.0045660 0.0000000 1.2428721 23 Rb 1.2710447 0.0000000 -0.0013356 0.0000000 1.2031365 0.0000000 -0.0045660 0.0000000 1.2428721 24 Rb 1.2710447 0.0000000 -0.0013356 0.0000000 1.2031365 0.0000000 -0.0045660 0.0000000 1.2428721 25 Rb 1.2635919 0.0000000 -0.0151018 0.0000000 1.2424762 0.0000000 -0.0189067 0.0000000 1.2178853 26 Rb 1.2635919 0.0000000 -0.0151018 0.0000000 1.2424762 0.0000000 -0.0189067 0.0000000 1.2178853 27 Rb 1.2635919 0.0000000 0.0151018 0.0000000 1.2424762 0.0000000 0.0189067 0.0000000 1.2178853 28 Rb 1.2635919 0.0000000 0.0151018 0.0000000 1.2424762 0.0000000 0.0189067 0.0000000 1.2178853 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1898 Number of blocks in projector: 1898 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: 492 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 274 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 274 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 274 Use standard eigh solver. Tree of FC basis block matrices: - (1898, 1864), data: False |-- (274, 268), data: True |-- (274, 268), data: True |-- (274, 268), data: True |-- (292, 290), data: True |-- (292, 290), data: True |-- (492, 480), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 3.034 Solver_block: 200 / 480 - Time: 3.041 Solver_block: 300 / 480 - Time: 3.026 Solver_block: 400 / 480 - Time: 3.034 Solver_block: 480 / 480 - Time: 2.449 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.632 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1898 Number of blocks in projector: 1898 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: 492 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 274 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 274 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 274 Use standard eigh solver. Tree of FC basis block matrices: - (1898, 1864), data: False |-- (274, 268), data: True |-- (274, 268), data: True |-- (274, 268), data: True |-- (292, 290), data: True |-- (292, 290), data: True |-- (492, 480), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:19:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:19:24]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.695652140000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.868005250000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.236185300000002 Atomic positions (fractional): 1 Be 0.76150519872405 0.25000000000000 0.41856847517386 9.012 2 Be 0.73849480127595 0.75000000000000 0.91856847517386 9.012 3 Be 0.26150519872405 0.25000000000000 0.08143152482614 9.012 4 Be 0.23849480127595 0.75000000000000 0.58143152482614 9.012 5 F 0.81133851002190 0.53273356172989 0.84957082341674 18.998 6 F 0.18866148997810 0.03273356172989 0.15042917658326 18.998 7 F 0.68866148997810 0.03273356172989 0.34957082341674 18.998 8 F 0.31133851002190 0.53273356172989 0.65042917658326 18.998 9 F 0.31133851002190 0.96726643827011 0.65042917658326 18.998 10 F 0.81133851002190 0.96726643827011 0.84957082341674 18.998 11 F 0.68866148997810 0.46726643827011 0.34957082341674 18.998 12 F 0.18866148997810 0.46726643827011 0.15042917658326 18.998 13 F 0.03671224777904 0.75000000000000 0.58841338789788 18.998 14 F 0.96328775222096 0.25000000000000 0.41158661210212 18.998 15 F 0.46328775222096 0.25000000000000 0.08841338789788 18.998 16 F 0.53671224777904 0.75000000000000 0.91158661210212 18.998 17 F 0.30665612178133 0.75000000000000 0.43696319198450 18.998 18 F 0.69334387821867 0.25000000000000 0.56303680801550 18.998 19 F 0.19334387821867 0.25000000000000 0.93696319198450 18.998 20 F 0.80665612178133 0.75000000000000 0.06303680801550 18.998 21 Rb 0.48528326811429 0.75000000000000 0.18970256101034 85.468 22 Rb 0.51471673188571 0.25000000000000 0.81029743898966 85.468 23 Rb 0.01471673188571 0.25000000000000 0.68970256101034 85.468 24 Rb 0.98528326811429 0.75000000000000 0.31029743898966 85.468 25 Rb 0.16101302737054 0.75000000000000 0.90619305070717 85.468 26 Rb 0.83898697262946 0.25000000000000 0.09380694929283 85.468 27 Rb 0.33898697262946 0.25000000000000 0.40619305070717 85.468 28 Rb 0.66101302737054 0.75000000000000 0.59380694929283 85.468 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.391304280000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.736010500000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.236185300000002 Atomic positions (fractional): 1 Be 0.38075259936202 0.12500000000000 0.41856847517386 9.012 > 1 2 Be 0.88075259936202 0.12500000000000 0.41856847517386 9.012 > 1 3 Be 0.38075259936202 0.62500000000000 0.41856847517386 9.012 > 1 4 Be 0.88075259936202 0.62500000000000 0.41856847517386 9.012 > 1 5 Be 0.36924740063798 0.37500000000000 0.91856847517386 9.012 > 5 6 Be 0.86924740063798 0.37500000000000 0.91856847517386 9.012 > 5 7 Be 0.36924740063798 0.87500000000000 0.91856847517386 9.012 > 5 8 Be 0.86924740063798 0.87500000000000 0.91856847517386 9.012 > 5 9 Be 0.13075259936202 0.12500000000000 0.08143152482614 9.012 > 9 10 Be 0.63075259936202 0.12500000000000 0.08143152482614 9.012 > 9 11 Be 0.13075259936202 0.62500000000000 0.08143152482614 9.012 > 9 12 Be 0.63075259936202 0.62500000000000 0.08143152482614 9.012 > 9 13 Be 0.11924740063797 0.37500000000000 0.58143152482614 9.012 > 13 14 Be 0.61924740063798 0.37500000000000 0.58143152482614 9.012 > 13 15 Be 0.11924740063797 0.87500000000000 0.58143152482614 9.012 > 13 16 Be 0.61924740063798 0.87500000000000 0.58143152482614 9.012 > 13 17 F 0.40566925501095 0.26636678086494 0.84957082341674 18.998 > 17 18 F 0.90566925501095 0.26636678086494 0.84957082341674 18.998 > 17 19 F 0.40566925501095 0.76636678086495 0.84957082341674 18.998 > 17 20 F 0.90566925501095 0.76636678086495 0.84957082341674 18.998 > 17 21 F 0.09433074498905 0.01636678086494 0.15042917658326 18.998 > 21 22 F 0.59433074498905 0.01636678086494 0.15042917658326 18.998 > 21 23 F 0.09433074498905 0.51636678086495 0.15042917658326 18.998 > 21 24 F 0.59433074498905 0.51636678086495 0.15042917658326 18.998 > 21 25 F 0.34433074498905 0.01636678086494 0.34957082341674 18.998 > 25 26 F 0.84433074498905 0.01636678086494 0.34957082341674 18.998 > 25 27 F 0.34433074498905 0.51636678086495 0.34957082341674 18.998 > 25 28 F 0.84433074498905 0.51636678086495 0.34957082341674 18.998 > 25 29 F 0.15566925501095 0.26636678086494 0.65042917658326 18.998 > 29 30 F 0.65566925501095 0.26636678086494 0.65042917658326 18.998 > 29 31 F 0.15566925501095 0.76636678086495 0.65042917658326 18.998 > 29 32 F 0.65566925501095 0.76636678086495 0.65042917658326 18.998 > 29 33 F 0.15566925501095 0.48363321913506 0.65042917658326 18.998 > 33 34 F 0.65566925501095 0.48363321913506 0.65042917658326 18.998 > 33 35 F 0.15566925501095 0.98363321913505 0.65042917658326 18.998 > 33 36 F 0.65566925501095 0.98363321913505 0.65042917658326 18.998 > 33 37 F 0.40566925501095 0.48363321913506 0.84957082341674 18.998 > 37 38 F 0.90566925501095 0.48363321913506 0.84957082341674 18.998 > 37 39 F 0.40566925501095 0.98363321913505 0.84957082341674 18.998 > 37 40 F 0.90566925501095 0.98363321913505 0.84957082341674 18.998 > 37 41 F 0.34433074498905 0.23363321913505 0.34957082341674 18.998 > 41 42 F 0.84433074498905 0.23363321913505 0.34957082341674 18.998 > 41 43 F 0.34433074498905 0.73363321913505 0.34957082341674 18.998 > 41 44 F 0.84433074498905 0.73363321913505 0.34957082341674 18.998 > 41 45 F 0.09433074498905 0.23363321913505 0.15042917658326 18.998 > 45 46 F 0.59433074498905 0.23363321913505 0.15042917658326 18.998 > 45 47 F 0.09433074498905 0.73363321913505 0.15042917658326 18.998 > 45 48 F 0.59433074498905 0.73363321913505 0.15042917658326 18.998 > 45 49 F 0.01835612388952 0.37500000000000 0.58841338789788 18.998 > 49 50 F 0.51835612388952 0.37500000000000 0.58841338789788 18.998 > 49 51 F 0.01835612388952 0.87500000000000 0.58841338789788 18.998 > 49 52 F 0.51835612388952 0.87500000000000 0.58841338789788 18.998 > 49 53 F 0.48164387611048 0.12500000000000 0.41158661210212 18.998 > 53 54 F 0.98164387611048 0.12500000000000 0.41158661210212 18.998 > 53 55 F 0.48164387611048 0.62500000000000 0.41158661210212 18.998 > 53 56 F 0.98164387611048 0.62500000000000 0.41158661210212 18.998 > 53 57 F 0.23164387611048 0.12500000000000 0.08841338789788 18.998 > 57 58 F 0.73164387611048 0.12500000000000 0.08841338789788 18.998 > 57 59 F 0.23164387611048 0.62500000000000 0.08841338789788 18.998 > 57 60 F 0.73164387611048 0.62500000000000 0.08841338789788 18.998 > 57 61 F 0.26835612388952 0.37500000000000 0.91158661210212 18.998 > 61 62 F 0.76835612388952 0.37500000000000 0.91158661210212 18.998 > 61 63 F 0.26835612388952 0.87500000000000 0.91158661210212 18.998 > 61 64 F 0.76835612388952 0.87500000000000 0.91158661210212 18.998 > 61 65 F 0.15332806089066 0.37500000000000 0.43696319198450 18.998 > 65 66 F 0.65332806089066 0.37500000000000 0.43696319198450 18.998 > 65 67 F 0.15332806089066 0.87500000000000 0.43696319198450 18.998 > 65 68 F 0.65332806089066 0.87500000000000 0.43696319198450 18.998 > 65 69 F 0.34667193910934 0.12500000000000 0.56303680801550 18.998 > 69 70 F 0.84667193910934 0.12500000000000 0.56303680801550 18.998 > 69 71 F 0.34667193910934 0.62500000000000 0.56303680801550 18.998 > 69 72 F 0.84667193910934 0.62500000000000 0.56303680801550 18.998 > 69 73 F 0.09667193910934 0.12500000000000 0.93696319198450 18.998 > 73 74 F 0.59667193910934 0.12500000000000 0.93696319198450 18.998 > 73 75 F 0.09667193910934 0.62500000000000 0.93696319198450 18.998 > 73 76 F 0.59667193910934 0.62500000000000 0.93696319198450 18.998 > 73 77 F 0.40332806089066 0.37500000000000 0.06303680801550 18.998 > 77 78 F 0.90332806089066 0.37500000000000 0.06303680801550 18.998 > 77 79 F 0.40332806089066 0.87500000000000 0.06303680801550 18.998 > 77 80 F 0.90332806089066 0.87500000000000 0.06303680801550 18.998 > 77 81 Rb 0.24264163405715 0.37500000000000 0.18970256101034 85.468 > 81 82 Rb 0.74264163405715 0.37500000000000 0.18970256101034 85.468 > 81 83 Rb 0.24264163405715 0.87500000000000 0.18970256101034 85.468 > 81 84 Rb 0.74264163405715 0.87500000000000 0.18970256101034 85.468 > 81 85 Rb 0.25735836594285 0.12500000000000 0.81029743898966 85.468 > 85 86 Rb 0.75735836594285 0.12500000000000 0.81029743898966 85.468 > 85 87 Rb 0.25735836594285 0.62500000000000 0.81029743898966 85.468 > 85 88 Rb 0.75735836594285 0.62500000000000 0.81029743898966 85.468 > 85 89 Rb 0.00735836594286 0.12500000000000 0.68970256101034 85.468 > 89 90 Rb 0.50735836594285 0.12500000000000 0.68970256101034 85.468 > 89 91 Rb 0.00735836594286 0.62500000000000 0.68970256101034 85.468 > 89 92 Rb 0.50735836594285 0.62500000000000 0.68970256101034 85.468 > 89 93 Rb 0.49264163405715 0.37500000000000 0.31029743898966 85.468 > 93 94 Rb 0.99264163405715 0.37500000000000 0.31029743898966 85.468 > 93 95 Rb 0.49264163405715 0.87500000000000 0.31029743898966 85.468 > 93 96 Rb 0.99264163405715 0.87500000000000 0.31029743898966 85.468 > 93 97 Rb 0.08050651368527 0.37500000000000 0.90619305070717 85.468 > 97 98 Rb 0.58050651368527 0.37500000000000 0.90619305070717 85.468 > 97 99 Rb 0.08050651368527 0.87500000000000 0.90619305070717 85.468 > 97 100 Rb 0.58050651368527 0.87500000000000 0.90619305070717 85.468 > 97 101 Rb 0.41949348631473 0.12500000000000 0.09380694929283 85.468 > 101 102 Rb 0.91949348631473 0.12500000000000 0.09380694929283 85.468 > 101 103 Rb 0.41949348631473 0.62500000000000 0.09380694929283 85.468 > 101 104 Rb 0.91949348631473 0.62500000000000 0.09380694929283 85.468 > 101 105 Rb 0.16949348631473 0.12500000000000 0.40619305070717 85.468 > 105 106 Rb 0.66949348631473 0.12500000000000 0.40619305070717 85.468 > 105 107 Rb 0.16949348631473 0.62500000000000 0.40619305070717 85.468 > 105 108 Rb 0.66949348631473 0.62500000000000 0.40619305070717 85.468 > 105 109 Rb 0.33050651368527 0.37500000000000 0.59380694929283 85.468 > 109 110 Rb 0.83050651368527 0.37500000000000 0.59380694929283 85.468 > 109 111 Rb 0.33050651368527 0.87500000000000 0.59380694929283 85.468 > 109 112 Rb 0.83050651368527 0.87500000000000 0.59380694929283 85.468 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.0910198 0.0000000 0.0000000 0.0000000 2.0767798 0.0000000 0.0000000 0.0000000 2.0804976 -------------------------- Born effective charges -------------------------- 1 Be 1.7205453 0.0000000 -0.0164459 0.0000000 1.7158953 0.0000000 -0.0127980 0.0000000 1.6996229 2 Be 1.7205453 0.0000000 0.0164459 0.0000000 1.7158953 0.0000000 0.0127980 0.0000000 1.6996229 3 Be 1.7205453 0.0000000 0.0164459 0.0000000 1.7158953 0.0000000 0.0127980 0.0000000 1.6996229 4 Be 1.7205453 0.0000000 -0.0164459 0.0000000 1.7158953 0.0000000 -0.0127980 0.0000000 1.6996229 5 F -0.9862828 0.0977019 0.0541279 0.1030866 -1.1818386 -0.1724965 0.0549760 -0.1694240 -0.9832695 6 F -0.9862828 -0.0977019 0.0541279 -0.1030866 -1.1818386 0.1724965 0.0549760 0.1694240 -0.9832695 7 F -0.9862828 -0.0977019 -0.0541279 -0.1030866 -1.1818386 -0.1724965 -0.0549760 -0.1694240 -0.9832695 8 F -0.9862828 0.0977019 -0.0541279 0.1030866 -1.1818386 0.1724965 -0.0549760 0.1694240 -0.9832695 9 F -0.9862828 -0.0977019 -0.0541279 -0.1030866 -1.1818386 -0.1724965 -0.0549760 -0.1694240 -0.9832695 10 F -0.9862828 -0.0977019 0.0541279 -0.1030866 -1.1818386 0.1724965 0.0549760 0.1694240 -0.9832695 11 F -0.9862828 0.0977019 -0.0541279 0.1030866 -1.1818386 0.1724965 -0.0549760 0.1694240 -0.9832695 12 F -0.9862828 0.0977019 0.0541279 0.1030866 -1.1818386 -0.1724965 0.0549760 -0.1694240 -0.9832695 13 F -1.3301095 0.0000000 -0.0106360 0.0000000 -0.8682391 0.0000000 -0.0116728 0.0000000 -0.9142329 14 F -1.3301095 0.0000000 -0.0106360 0.0000000 -0.8682391 0.0000000 -0.0116728 0.0000000 -0.9142329 15 F -1.3301095 0.0000000 0.0106360 0.0000000 -0.8682391 0.0000000 0.0116728 0.0000000 -0.9142329 16 F -1.3301095 0.0000000 0.0106360 0.0000000 -0.8682391 0.0000000 0.0116728 0.0000000 -0.9142329 17 F -0.9525068 0.0000000 0.1018173 0.0000000 -0.9295917 0.0000000 0.1062337 0.0000000 -1.2796084 18 F -0.9525068 0.0000000 0.1018173 0.0000000 -0.9295917 0.0000000 0.1062337 0.0000000 -1.2796084 19 F -0.9525068 0.0000000 -0.1018173 0.0000000 -0.9295917 0.0000000 -0.1062337 0.0000000 -1.2796084 20 F -0.9525068 0.0000000 -0.1018173 0.0000000 -0.9295917 0.0000000 -0.1062337 0.0000000 -1.2796084 21 Rb 1.2710447 0.0000000 0.0013356 0.0000000 1.2031365 0.0000000 0.0045660 0.0000000 1.2428721 22 Rb 1.2710447 0.0000000 0.0013356 0.0000000 1.2031365 0.0000000 0.0045660 0.0000000 1.2428721 23 Rb 1.2710447 0.0000000 -0.0013356 0.0000000 1.2031365 0.0000000 -0.0045660 0.0000000 1.2428721 24 Rb 1.2710447 0.0000000 -0.0013356 0.0000000 1.2031365 0.0000000 -0.0045660 0.0000000 1.2428721 25 Rb 1.2635919 0.0000000 -0.0151018 0.0000000 1.2424762 0.0000000 -0.0189067 0.0000000 1.2178853 26 Rb 1.2635919 0.0000000 -0.0151018 0.0000000 1.2424762 0.0000000 -0.0189067 0.0000000 1.2178853 27 Rb 1.2635919 0.0000000 0.0151018 0.0000000 1.2424762 0.0000000 0.0189067 0.0000000 1.2178853 28 Rb 1.2635919 0.0000000 0.0151018 0.0000000 1.2424762 0.0000000 0.0189067 0.0000000 1.2178853 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (yxy) 0.00000001 (yxy) 0.00000001 (yyx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yx) 0.00000000 (yx) 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 2026-01-07 19:19:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:19:47]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.695652140000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.868005250000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.236185300000002 Atomic positions (fractional): 1 Be 0.76150519872405 0.25000000000000 0.41856847517386 9.012 2 Be 0.73849480127595 0.75000000000000 0.91856847517386 9.012 3 Be 0.26150519872405 0.25000000000000 0.08143152482614 9.012 4 Be 0.23849480127595 0.75000000000000 0.58143152482614 9.012 5 F 0.81133851002190 0.53273356172989 0.84957082341674 18.998 6 F 0.18866148997810 0.03273356172989 0.15042917658326 18.998 7 F 0.68866148997810 0.03273356172989 0.34957082341674 18.998 8 F 0.31133851002190 0.53273356172989 0.65042917658326 18.998 9 F 0.31133851002190 0.96726643827011 0.65042917658326 18.998 10 F 0.81133851002190 0.96726643827011 0.84957082341674 18.998 11 F 0.68866148997810 0.46726643827011 0.34957082341674 18.998 12 F 0.18866148997810 0.46726643827011 0.15042917658326 18.998 13 F 0.03671224777904 0.75000000000000 0.58841338789788 18.998 14 F 0.96328775222096 0.25000000000000 0.41158661210212 18.998 15 F 0.46328775222096 0.25000000000000 0.08841338789788 18.998 16 F 0.53671224777904 0.75000000000000 0.91158661210212 18.998 17 F 0.30665612178133 0.75000000000000 0.43696319198450 18.998 18 F 0.69334387821867 0.25000000000000 0.56303680801550 18.998 19 F 0.19334387821867 0.25000000000000 0.93696319198450 18.998 20 F 0.80665612178133 0.75000000000000 0.06303680801550 18.998 21 Rb 0.48528326811429 0.75000000000000 0.18970256101034 85.468 22 Rb 0.51471673188571 0.25000000000000 0.81029743898966 85.468 23 Rb 0.01471673188571 0.25000000000000 0.68970256101034 85.468 24 Rb 0.98528326811429 0.75000000000000 0.31029743898966 85.468 25 Rb 0.16101302737054 0.75000000000000 0.90619305070717 85.468 26 Rb 0.83898697262946 0.25000000000000 0.09380694929283 85.468 27 Rb 0.33898697262946 0.25000000000000 0.40619305070717 85.468 28 Rb 0.66101302737054 0.75000000000000 0.59380694929283 85.468 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.391304280000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.736010500000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.236185300000002 Atomic positions (fractional): 1 Be 0.38075259936202 0.12500000000000 0.41856847517386 9.012 > 1 2 Be 0.88075259936202 0.12500000000000 0.41856847517386 9.012 > 1 3 Be 0.38075259936202 0.62500000000000 0.41856847517386 9.012 > 1 4 Be 0.88075259936202 0.62500000000000 0.41856847517386 9.012 > 1 5 Be 0.36924740063798 0.37500000000000 0.91856847517386 9.012 > 5 6 Be 0.86924740063798 0.37500000000000 0.91856847517386 9.012 > 5 7 Be 0.36924740063798 0.87500000000000 0.91856847517386 9.012 > 5 8 Be 0.86924740063798 0.87500000000000 0.91856847517386 9.012 > 5 9 Be 0.13075259936202 0.12500000000000 0.08143152482614 9.012 > 9 10 Be 0.63075259936202 0.12500000000000 0.08143152482614 9.012 > 9 11 Be 0.13075259936202 0.62500000000000 0.08143152482614 9.012 > 9 12 Be 0.63075259936202 0.62500000000000 0.08143152482614 9.012 > 9 13 Be 0.11924740063797 0.37500000000000 0.58143152482614 9.012 > 13 14 Be 0.61924740063798 0.37500000000000 0.58143152482614 9.012 > 13 15 Be 0.11924740063797 0.87500000000000 0.58143152482614 9.012 > 13 16 Be 0.61924740063798 0.87500000000000 0.58143152482614 9.012 > 13 17 F 0.40566925501095 0.26636678086494 0.84957082341674 18.998 > 17 18 F 0.90566925501095 0.26636678086494 0.84957082341674 18.998 > 17 19 F 0.40566925501095 0.76636678086495 0.84957082341674 18.998 > 17 20 F 0.90566925501095 0.76636678086495 0.84957082341674 18.998 > 17 21 F 0.09433074498905 0.01636678086494 0.15042917658326 18.998 > 21 22 F 0.59433074498905 0.01636678086494 0.15042917658326 18.998 > 21 23 F 0.09433074498905 0.51636678086495 0.15042917658326 18.998 > 21 24 F 0.59433074498905 0.51636678086495 0.15042917658326 18.998 > 21 25 F 0.34433074498905 0.01636678086494 0.34957082341674 18.998 > 25 26 F 0.84433074498905 0.01636678086494 0.34957082341674 18.998 > 25 27 F 0.34433074498905 0.51636678086495 0.34957082341674 18.998 > 25 28 F 0.84433074498905 0.51636678086495 0.34957082341674 18.998 > 25 29 F 0.15566925501095 0.26636678086494 0.65042917658326 18.998 > 29 30 F 0.65566925501095 0.26636678086494 0.65042917658326 18.998 > 29 31 F 0.15566925501095 0.76636678086495 0.65042917658326 18.998 > 29 32 F 0.65566925501095 0.76636678086495 0.65042917658326 18.998 > 29 33 F 0.15566925501095 0.48363321913506 0.65042917658326 18.998 > 33 34 F 0.65566925501095 0.48363321913506 0.65042917658326 18.998 > 33 35 F 0.15566925501095 0.98363321913505 0.65042917658326 18.998 > 33 36 F 0.65566925501095 0.98363321913505 0.65042917658326 18.998 > 33 37 F 0.40566925501095 0.48363321913506 0.84957082341674 18.998 > 37 38 F 0.90566925501095 0.48363321913506 0.84957082341674 18.998 > 37 39 F 0.40566925501095 0.98363321913505 0.84957082341674 18.998 > 37 40 F 0.90566925501095 0.98363321913505 0.84957082341674 18.998 > 37 41 F 0.34433074498905 0.23363321913505 0.34957082341674 18.998 > 41 42 F 0.84433074498905 0.23363321913505 0.34957082341674 18.998 > 41 43 F 0.34433074498905 0.73363321913505 0.34957082341674 18.998 > 41 44 F 0.84433074498905 0.73363321913505 0.34957082341674 18.998 > 41 45 F 0.09433074498905 0.23363321913505 0.15042917658326 18.998 > 45 46 F 0.59433074498905 0.23363321913505 0.15042917658326 18.998 > 45 47 F 0.09433074498905 0.73363321913505 0.15042917658326 18.998 > 45 48 F 0.59433074498905 0.73363321913505 0.15042917658326 18.998 > 45 49 F 0.01835612388952 0.37500000000000 0.58841338789788 18.998 > 49 50 F 0.51835612388952 0.37500000000000 0.58841338789788 18.998 > 49 51 F 0.01835612388952 0.87500000000000 0.58841338789788 18.998 > 49 52 F 0.51835612388952 0.87500000000000 0.58841338789788 18.998 > 49 53 F 0.48164387611048 0.12500000000000 0.41158661210212 18.998 > 53 54 F 0.98164387611048 0.12500000000000 0.41158661210212 18.998 > 53 55 F 0.48164387611048 0.62500000000000 0.41158661210212 18.998 > 53 56 F 0.98164387611048 0.62500000000000 0.41158661210212 18.998 > 53 57 F 0.23164387611048 0.12500000000000 0.08841338789788 18.998 > 57 58 F 0.73164387611048 0.12500000000000 0.08841338789788 18.998 > 57 59 F 0.23164387611048 0.62500000000000 0.08841338789788 18.998 > 57 60 F 0.73164387611048 0.62500000000000 0.08841338789788 18.998 > 57 61 F 0.26835612388952 0.37500000000000 0.91158661210212 18.998 > 61 62 F 0.76835612388952 0.37500000000000 0.91158661210212 18.998 > 61 63 F 0.26835612388952 0.87500000000000 0.91158661210212 18.998 > 61 64 F 0.76835612388952 0.87500000000000 0.91158661210212 18.998 > 61 65 F 0.15332806089066 0.37500000000000 0.43696319198450 18.998 > 65 66 F 0.65332806089066 0.37500000000000 0.43696319198450 18.998 > 65 67 F 0.15332806089066 0.87500000000000 0.43696319198450 18.998 > 65 68 F 0.65332806089066 0.87500000000000 0.43696319198450 18.998 > 65 69 F 0.34667193910934 0.12500000000000 0.56303680801550 18.998 > 69 70 F 0.84667193910934 0.12500000000000 0.56303680801550 18.998 > 69 71 F 0.34667193910934 0.62500000000000 0.56303680801550 18.998 > 69 72 F 0.84667193910934 0.62500000000000 0.56303680801550 18.998 > 69 73 F 0.09667193910934 0.12500000000000 0.93696319198450 18.998 > 73 74 F 0.59667193910934 0.12500000000000 0.93696319198450 18.998 > 73 75 F 0.09667193910934 0.62500000000000 0.93696319198450 18.998 > 73 76 F 0.59667193910934 0.62500000000000 0.93696319198450 18.998 > 73 77 F 0.40332806089066 0.37500000000000 0.06303680801550 18.998 > 77 78 F 0.90332806089066 0.37500000000000 0.06303680801550 18.998 > 77 79 F 0.40332806089066 0.87500000000000 0.06303680801550 18.998 > 77 80 F 0.90332806089066 0.87500000000000 0.06303680801550 18.998 > 77 81 Rb 0.24264163405715 0.37500000000000 0.18970256101034 85.468 > 81 82 Rb 0.74264163405715 0.37500000000000 0.18970256101034 85.468 > 81 83 Rb 0.24264163405715 0.87500000000000 0.18970256101034 85.468 > 81 84 Rb 0.74264163405715 0.87500000000000 0.18970256101034 85.468 > 81 85 Rb 0.25735836594285 0.12500000000000 0.81029743898966 85.468 > 85 86 Rb 0.75735836594285 0.12500000000000 0.81029743898966 85.468 > 85 87 Rb 0.25735836594285 0.62500000000000 0.81029743898966 85.468 > 85 88 Rb 0.75735836594285 0.62500000000000 0.81029743898966 85.468 > 85 89 Rb 0.00735836594286 0.12500000000000 0.68970256101034 85.468 > 89 90 Rb 0.50735836594285 0.12500000000000 0.68970256101034 85.468 > 89 91 Rb 0.00735836594286 0.62500000000000 0.68970256101034 85.468 > 89 92 Rb 0.50735836594285 0.62500000000000 0.68970256101034 85.468 > 89 93 Rb 0.49264163405715 0.37500000000000 0.31029743898966 85.468 > 93 94 Rb 0.99264163405715 0.37500000000000 0.31029743898966 85.468 > 93 95 Rb 0.49264163405715 0.87500000000000 0.31029743898966 85.468 > 93 96 Rb 0.99264163405715 0.87500000000000 0.31029743898966 85.468 > 93 97 Rb 0.08050651368527 0.37500000000000 0.90619305070717 85.468 > 97 98 Rb 0.58050651368527 0.37500000000000 0.90619305070717 85.468 > 97 99 Rb 0.08050651368527 0.87500000000000 0.90619305070717 85.468 > 97 100 Rb 0.58050651368527 0.87500000000000 0.90619305070717 85.468 > 97 101 Rb 0.41949348631473 0.12500000000000 0.09380694929283 85.468 > 101 102 Rb 0.91949348631473 0.12500000000000 0.09380694929283 85.468 > 101 103 Rb 0.41949348631473 0.62500000000000 0.09380694929283 85.468 > 101 104 Rb 0.91949348631473 0.62500000000000 0.09380694929283 85.468 > 101 105 Rb 0.16949348631473 0.12500000000000 0.40619305070717 85.468 > 105 106 Rb 0.66949348631473 0.12500000000000 0.40619305070717 85.468 > 105 107 Rb 0.16949348631473 0.62500000000000 0.40619305070717 85.468 > 105 108 Rb 0.66949348631473 0.62500000000000 0.40619305070717 85.468 > 105 109 Rb 0.33050651368527 0.37500000000000 0.59380694929283 85.468 > 109 110 Rb 0.83050651368527 0.37500000000000 0.59380694929283 85.468 > 109 111 Rb 0.33050651368527 0.87500000000000 0.59380694929283 85.468 > 109 112 Rb 0.83050651368527 0.87500000000000 0.59380694929283 85.468 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.0910198 0.0000000 0.0000000 0.0000000 2.0767798 0.0000000 0.0000000 0.0000000 2.0804976 -------------------------- Born effective charges -------------------------- 1 Be 1.7205453 0.0000000 -0.0164459 0.0000000 1.7158953 0.0000000 -0.0127980 0.0000000 1.6996229 2 Be 1.7205453 0.0000000 0.0164459 0.0000000 1.7158953 0.0000000 0.0127980 0.0000000 1.6996229 3 Be 1.7205453 0.0000000 0.0164459 0.0000000 1.7158953 0.0000000 0.0127980 0.0000000 1.6996229 4 Be 1.7205453 0.0000000 -0.0164459 0.0000000 1.7158953 0.0000000 -0.0127980 0.0000000 1.6996229 5 F -0.9862828 0.0977019 0.0541279 0.1030866 -1.1818386 -0.1724965 0.0549760 -0.1694240 -0.9832695 6 F -0.9862828 -0.0977019 0.0541279 -0.1030866 -1.1818386 0.1724965 0.0549760 0.1694240 -0.9832695 7 F -0.9862828 -0.0977019 -0.0541279 -0.1030866 -1.1818386 -0.1724965 -0.0549760 -0.1694240 -0.9832695 8 F -0.9862828 0.0977019 -0.0541279 0.1030866 -1.1818386 0.1724965 -0.0549760 0.1694240 -0.9832695 9 F -0.9862828 -0.0977019 -0.0541279 -0.1030866 -1.1818386 -0.1724965 -0.0549760 -0.1694240 -0.9832695 10 F -0.9862828 -0.0977019 0.0541279 -0.1030866 -1.1818386 0.1724965 0.0549760 0.1694240 -0.9832695 11 F -0.9862828 0.0977019 -0.0541279 0.1030866 -1.1818386 0.1724965 -0.0549760 0.1694240 -0.9832695 12 F -0.9862828 0.0977019 0.0541279 0.1030866 -1.1818386 -0.1724965 0.0549760 -0.1694240 -0.9832695 13 F -1.3301095 0.0000000 -0.0106360 0.0000000 -0.8682391 0.0000000 -0.0116728 0.0000000 -0.9142329 14 F -1.3301095 0.0000000 -0.0106360 0.0000000 -0.8682391 0.0000000 -0.0116728 0.0000000 -0.9142329 15 F -1.3301095 0.0000000 0.0106360 0.0000000 -0.8682391 0.0000000 0.0116728 0.0000000 -0.9142329 16 F -1.3301095 0.0000000 0.0106360 0.0000000 -0.8682391 0.0000000 0.0116728 0.0000000 -0.9142329 17 F -0.9525068 0.0000000 0.1018173 0.0000000 -0.9295917 0.0000000 0.1062337 0.0000000 -1.2796084 18 F -0.9525068 0.0000000 0.1018173 0.0000000 -0.9295917 0.0000000 0.1062337 0.0000000 -1.2796084 19 F -0.9525068 0.0000000 -0.1018173 0.0000000 -0.9295917 0.0000000 -0.1062337 0.0000000 -1.2796084 20 F -0.9525068 0.0000000 -0.1018173 0.0000000 -0.9295917 0.0000000 -0.1062337 0.0000000 -1.2796084 21 Rb 1.2710447 0.0000000 0.0013356 0.0000000 1.2031365 0.0000000 0.0045660 0.0000000 1.2428721 22 Rb 1.2710447 0.0000000 0.0013356 0.0000000 1.2031365 0.0000000 0.0045660 0.0000000 1.2428721 23 Rb 1.2710447 0.0000000 -0.0013356 0.0000000 1.2031365 0.0000000 -0.0045660 0.0000000 1.2428721 24 Rb 1.2710447 0.0000000 -0.0013356 0.0000000 1.2031365 0.0000000 -0.0045660 0.0000000 1.2428721 25 Rb 1.2635919 0.0000000 -0.0151018 0.0000000 1.2424762 0.0000000 -0.0189067 0.0000000 1.2178853 26 Rb 1.2635919 0.0000000 -0.0151018 0.0000000 1.2424762 0.0000000 -0.0189067 0.0000000 1.2178853 27 Rb 1.2635919 0.0000000 0.0151018 0.0000000 1.2424762 0.0000000 0.0189067 0.0000000 1.2178853 28 Rb 1.2635919 0.0000000 0.0151018 0.0000000 1.2424762 0.0000000 0.0189067 0.0000000 1.2178853 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yxy) 0.00000001 (yxy) 0.00000001 (yyx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 9 5 ] 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: 0.54, Number of G-points: 313, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.392 ( 0.000 0.000 0.000) 0.000 1.415 ( 0.000 0.000 0.000) 0.000 1.600 ( 0.000 0.000 0.000) 0.000 1.631 ( 0.000 0.000 0.000) 0.000 1.698 ( 0.000 0.000 0.000) 0.000 1.849 ( 0.000 0.000 0.000) 0.000 1.852 ( 0.000 0.000 0.000) 0.000 1.896 ( 0.000 0.000 0.000) 0.000 1.904 ( 0.000 0.000 0.000) 0.000 1.914 ( 0.000 0.000 0.000) 0.000 1.973 ( 0.000 0.000 0.000) 0.000 2.187 ( 0.000 0.000 0.000) 0.000 2.188 ( 0.000 0.000 0.000) 0.000 2.207 ( 0.000 0.000 0.000) 0.000 2.261 ( 0.000 0.000 0.000) 0.000 2.367 ( 0.000 0.000 0.000) 0.000 2.396 ( 0.000 0.000 0.000) 0.000 2.412 ( 0.000 0.000 0.000) 0.000 2.457 ( 0.000 0.000 0.000) 0.000 2.500 ( 0.000 0.000 0.000) 0.000 2.563 ( 0.000 0.000 0.000) 0.000 2.665 ( 0.000 0.000 0.000) 0.000 2.835 ( 0.000 0.000 0.000) 0.000 2.845 ( 0.000 0.000 0.000) 0.000 2.846 ( 0.000 0.000 0.000) 0.000 3.201 ( 0.000 0.000 0.000) 0.000 3.203 ( 0.000 0.000 0.000) 0.000 3.274 ( 0.000 0.000 0.000) 0.000 3.355 ( 0.000 0.000 0.000) 0.000 3.372 ( 0.000 0.000 0.000) 0.000 3.379 ( 0.000 0.000 0.000) 0.000 3.418 ( 0.000 0.000 0.000) 0.000 3.486 ( 0.000 0.000 0.000) 0.000 3.552 ( 0.000 0.000 0.000) 0.000 3.701 ( 0.000 0.000 0.000) 0.000 3.712 ( 0.000 0.000 0.000) 0.000 3.717 ( 0.000 0.000 0.000) 0.000 3.760 ( 0.000 0.000 0.000) 0.000 3.779 ( 0.000 0.000 0.000) 0.000 4.042 ( 0.000 0.000 0.000) 0.000 4.060 ( 0.000 0.000 0.000) 0.000 4.190 ( 0.000 0.000 0.000) 0.000 4.237 ( 0.000 0.000 0.000) 0.000 4.518 ( 0.000 0.000 0.000) 0.000 4.663 ( 0.000 0.000 0.000) 0.000 7.228 ( 0.000 0.000 0.000) 0.000 7.260 ( 0.000 0.000 0.000) 0.000 7.277 ( 0.000 0.000 0.000) 0.000 7.357 ( 0.000 0.000 0.000) 0.000 7.433 ( 0.000 0.000 0.000) 0.000 7.515 ( 0.000 0.000 0.000) 0.000 7.532 ( 0.000 0.000 0.000) 0.000 7.777 ( 0.000 0.000 0.000) 0.000 10.779 ( 0.000 0.000 0.000) 0.000 10.785 ( 0.000 0.000 0.000) 0.000 10.796 ( 0.000 0.000 0.000) 0.000 10.834 ( 0.000 0.000 0.000) 0.000 10.894 ( 0.000 0.000 0.000) 0.000 10.929 ( 0.000 0.000 0.000) 0.000 11.016 ( 0.000 0.000 0.000) 0.000 11.035 ( 0.000 0.000 0.000) 0.000 11.062 ( 0.000 0.000 0.000) 0.000 11.103 ( 0.000 0.000 0.000) 0.000 11.125 ( 0.000 0.000 0.000) 0.000 11.267 ( 0.000 0.000 0.000) 0.000 16.083 ( 0.000 0.000 0.000) 0.000 16.114 ( 0.000 0.000 0.000) 0.000 16.125 ( 0.000 0.000 0.000) 0.000 16.136 ( 0.000 0.000 0.000) 0.000 23.377 ( 0.000 0.000 0.000) 0.000 23.513 ( 0.000 0.000 0.000) 0.000 23.745 ( 0.000 0.000 0.000) 0.000 23.779 ( 0.000 0.000 0.000) 0.000 23.779 ( 0.000 0.000 0.000) 0.000 23.825 ( 0.000 0.000 0.000) 0.000 23.844 ( 0.000 0.000 0.000) 0.000 24.106 ( 0.000 0.000 0.000) 0.000 24.467 ( 0.000 0.000 0.000) 0.000 24.608 ( 0.000 0.000 0.000) 0.000 25.060 ( 0.000 0.000 0.000) 0.000 25.189 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.17 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.464 ( 20.896 0.000 0.000) 20.896 0.471 ( 21.346 0.000 0.000) 21.346 0.815 ( 36.703 0.000 0.000) 36.703 1.388 ( -0.378 0.000 0.000) 0.378 1.439 ( 1.642 0.000 0.000) 1.642 1.641 ( 0.839 0.000 0.000) 0.839 1.656 ( 4.742 0.000 0.000) 4.742 1.745 ( 3.423 0.000 0.000) 3.423 1.838 ( -1.342 0.000 0.000) 1.342 1.864 ( 1.492 0.000 0.000) 1.492 1.890 ( -1.091 0.000 0.000) 1.091 1.902 ( -1.187 0.000 0.000) 1.187 1.938 ( 2.016 0.000 0.000) 2.016 2.066 ( 3.985 0.000 0.000) 3.985 2.127 ( -3.347 0.000 0.000) 3.347 2.178 ( -1.170 0.000 0.000) 1.170 2.203 ( 0.263 0.000 0.000) 0.263 2.228 ( -8.310 0.000 0.000) 8.310 2.321 ( 4.519 0.000 0.000) 4.519 2.352 ( -0.894 0.000 0.000) 0.894 2.413 ( 0.263 0.000 0.000) 0.263 2.471 ( -2.659 0.000 0.000) 2.659 2.524 ( 2.163 0.000 0.000) 2.163 2.638 ( -2.680 0.000 0.000) 2.680 2.784 ( -5.578 0.000 0.000) 5.578 2.808 ( 10.506 0.000 0.000) 10.506 2.845 ( 1.166 0.000 0.000) 1.166 2.867 ( 1.834 0.000 0.000) 1.834 3.131 ( -0.882 0.000 0.000) 0.882 3.248 ( -9.978 0.000 0.000) 9.978 3.267 ( -0.821 0.000 0.000) 0.821 3.303 ( 2.215 0.000 0.000) 2.215 3.331 ( -2.098 0.000 0.000) 2.098 3.394 ( 0.544 0.000 0.000) 0.544 3.480 ( 4.587 0.000 0.000) 4.587 3.495 ( 1.084 0.000 0.000) 1.084 3.553 ( -3.210 0.000 0.000) 3.210 3.655 ( -3.965 0.000 0.000) 3.965 3.700 ( -1.401 0.000 0.000) 1.401 3.719 ( 1.403 0.000 0.000) 1.403 3.765 ( 0.309 0.000 0.000) 0.309 3.811 ( 0.828 0.000 0.000) 0.828 3.970 ( -3.477 0.000 0.000) 3.477 4.087 ( -6.741 0.000 0.000) 6.741 4.317 ( 3.329 0.000 0.000) 3.329 4.508 ( 0.424 0.000 0.000) 0.424 4.673 ( 12.875 0.000 0.000) 12.875 5.907 ( -7.530 0.000 0.000) 7.530 7.238 ( 0.965 0.000 0.000) 0.965 7.265 ( 0.850 0.000 0.000) 0.850 7.289 ( 1.046 0.000 0.000) 1.046 7.422 ( -0.984 0.000 0.000) 0.984 7.428 ( 5.670 0.000 0.000) 5.670 7.501 ( -1.317 0.000 0.000) 1.317 7.504 ( -2.407 0.000 0.000) 2.407 7.777 ( -0.182 0.000 0.000) 0.182 10.749 ( -1.381 0.000 0.000) 1.381 10.786 ( -0.028 0.000 0.000) 0.028 10.831 ( 1.955 0.000 0.000) 1.955 10.866 ( 0.942 0.000 0.000) 0.942 10.896 ( 0.167 0.000 0.000) 0.167 10.926 ( -0.274 0.000 0.000) 0.274 11.018 ( 0.200 0.000 0.000) 0.200 11.035 ( -0.060 0.000 0.000) 0.060 11.055 ( -3.675 0.000 0.000) 3.675 11.103 ( -1.854 0.000 0.000) 1.854 11.142 ( -1.414 0.000 0.000) 1.414 11.214 ( -4.524 0.000 0.000) 4.524 16.084 ( 0.177 0.000 0.000) 0.177 16.115 ( -0.415 0.000 0.000) 0.415 16.129 ( 1.153 0.000 0.000) 1.153 16.154 ( 1.006 0.000 0.000) 1.006 23.383 ( 0.548 0.000 0.000) 0.548 23.494 ( -1.649 0.000 0.000) 1.649 23.738 ( 0.657 0.000 0.000) 0.657 23.781 ( 0.209 0.000 0.000) 0.209 23.783 ( 0.298 0.000 0.000) 0.298 23.823 ( -0.173 0.000 0.000) 0.173 23.841 ( -0.312 0.000 0.000) 0.312 24.509 ( -8.632 0.000 0.000) 8.632 24.620 ( 12.006 0.000 0.000) 12.006 25.043 ( 2.152 0.000 0.000) 2.152 25.246 ( 5.151 0.000 0.000) 5.151 25.916 ( -3.500 0.000 0.000) 3.500 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( 18.129 0.000 0.000) 18.129 0.913 ( 19.140 0.000 0.000) 19.140 1.363 ( -2.706 0.000 0.000) 2.706 1.439 ( -1.242 0.000 0.000) 1.242 1.576 ( 31.152 0.000 0.000) 31.152 1.666 ( 1.565 0.000 0.000) 1.565 1.766 ( 2.946 0.000 0.000) 2.946 1.792 ( -0.241 0.000 0.000) 0.241 1.811 ( 1.028 0.000 0.000) 1.028 1.850 ( -4.629 0.000 0.000) 4.629 1.866 ( -0.966 0.000 0.000) 0.966 1.883 ( -2.116 0.000 0.000) 2.116 1.963 ( -4.004 0.000 0.000) 4.004 1.975 ( 2.037 0.000 0.000) 2.037 2.130 ( -3.144 0.000 0.000) 3.144 2.132 ( 2.187 0.000 0.000) 2.187 2.222 ( 1.330 0.000 0.000) 1.330 2.252 ( 5.673 0.000 0.000) 5.673 2.360 ( 1.995 0.000 0.000) 1.995 2.380 ( -5.041 0.000 0.000) 5.041 2.407 ( 1.623 0.000 0.000) 1.623 2.437 ( 1.461 0.000 0.000) 1.461 2.526 ( -1.502 0.000 0.000) 1.502 2.600 ( -0.251 0.000 0.000) 0.251 2.647 ( -6.328 0.000 0.000) 6.328 2.883 ( -18.661 0.000 0.000) 18.661 2.888 ( 2.479 0.000 0.000) 2.479 2.911 ( 1.850 0.000 0.000) 1.850 3.042 ( 10.172 0.000 0.000) 10.172 3.175 ( 1.582 0.000 0.000) 1.582 3.240 ( -1.338 0.000 0.000) 1.338 3.273 ( -2.881 0.000 0.000) 2.881 3.351 ( 1.262 0.000 0.000) 1.262 3.363 ( -2.807 0.000 0.000) 2.807 3.522 ( -0.521 0.000 0.000) 0.521 3.530 ( -2.408 0.000 0.000) 2.408 3.538 ( 2.703 0.000 0.000) 2.703 3.608 ( 2.226 0.000 0.000) 2.226 3.659 ( -2.287 0.000 0.000) 2.287 3.749 ( 1.215 0.000 0.000) 1.215 3.753 ( -5.017 0.000 0.000) 5.017 3.770 ( 0.097 0.000 0.000) 0.097 3.955 ( 1.259 0.000 0.000) 1.259 4.004 ( -0.975 0.000 0.000) 0.975 4.365 ( 1.679 0.000 0.000) 1.679 4.480 ( -2.788 0.000 0.000) 2.788 5.001 ( 16.397 0.000 0.000) 16.397 5.679 ( -13.121 0.000 0.000) 13.121 7.268 ( 1.668 0.000 0.000) 1.668 7.301 ( 2.387 0.000 0.000) 2.387 7.314 ( 0.818 0.000 0.000) 0.818 7.400 ( -0.623 0.000 0.000) 0.623 7.438 ( -3.424 0.000 0.000) 3.424 7.462 ( -2.154 0.000 0.000) 2.154 7.567 ( 6.479 0.000 0.000) 6.479 7.757 ( -1.895 0.000 0.000) 1.895 10.731 ( -0.093 0.000 0.000) 0.093 10.777 ( -0.976 0.000 0.000) 0.976 10.872 ( 1.776 0.000 0.000) 1.776 10.894 ( 1.416 0.000 0.000) 1.416 10.901 ( 0.308 0.000 0.000) 0.308 10.918 ( -0.404 0.000 0.000) 0.404 10.980 ( -2.297 0.000 0.000) 2.297 11.024 ( 0.261 0.000 0.000) 0.261 11.033 ( -0.132 0.000 0.000) 0.132 11.057 ( -2.210 0.000 0.000) 2.210 11.097 ( -2.386 0.000 0.000) 2.386 11.102 ( -4.868 0.000 0.000) 4.868 16.092 ( 0.492 0.000 0.000) 0.492 16.109 ( -0.249 0.000 0.000) 0.249 16.155 ( 1.107 0.000 0.000) 1.107 16.171 ( 0.478 0.000 0.000) 0.478 23.399 ( 0.980 0.000 0.000) 0.980 23.456 ( -1.654 0.000 0.000) 1.654 23.787 ( 0.319 0.000 0.000) 0.319 23.790 ( 0.328 0.000 0.000) 0.328 23.810 ( 6.204 0.000 0.000) 6.204 23.819 ( -0.127 0.000 0.000) 0.127 23.832 ( -0.498 0.000 0.000) 0.498 24.269 ( -12.603 0.000 0.000) 12.603 24.886 ( 10.820 0.000 0.000) 10.820 25.082 ( 0.822 0.000 0.000) 0.822 25.404 ( 9.103 0.000 0.000) 9.103 25.801 ( -7.060 0.000 0.000) 7.060 ======================= Grid point 3 (4/60) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( -11.296 0.000 0.000) 11.296 1.220 ( 11.296 0.000 0.000) 11.296 1.275 ( -13.265 0.000 0.000) 13.265 1.275 ( 13.265 0.000 0.000) 13.265 1.720 ( -3.856 0.000 0.000) 3.856 1.720 ( 3.856 0.000 0.000) 3.856 1.769 ( -0.910 0.000 0.000) 0.910 1.769 ( 0.910 0.000 0.000) 0.910 1.854 ( -0.074 0.000 0.000) 0.074 1.854 ( 0.074 0.000 0.000) 0.074 1.890 ( -3.053 0.000 0.000) 3.053 1.890 ( 3.053 0.000 0.000) 3.053 2.050 ( -4.007 0.000 0.000) 4.007 2.050 ( 4.007 0.000 0.000) 4.007 2.203 ( -20.841 0.000 0.000) 20.841 2.203 ( 20.841 0.000 0.000) 20.841 2.249 ( -6.607 0.000 0.000) 6.607 2.249 ( 6.607 0.000 0.000) 6.607 2.264 ( -0.157 0.000 0.000) 0.157 2.264 ( 0.157 0.000 0.000) 0.157 2.481 ( -2.312 0.000 0.000) 2.312 2.481 ( 2.312 0.000 0.000) 2.312 2.488 ( -7.656 0.000 0.000) 7.656 2.488 ( 7.656 0.000 0.000) 7.656 2.625 ( -3.120 0.000 0.000) 3.120 2.625 ( 3.120 0.000 0.000) 3.120 2.928 ( -0.671 0.000 0.000) 0.671 2.928 ( 0.671 0.000 0.000) 0.671 3.189 ( -1.948 0.000 0.000) 1.948 3.189 ( 1.948 0.000 0.000) 1.948 3.229 ( -0.757 0.000 0.000) 0.757 3.229 ( 0.757 0.000 0.000) 0.757 3.337 ( -1.387 0.000 0.000) 1.387 3.337 ( 1.387 0.000 0.000) 1.387 3.497 ( -0.782 0.000 0.000) 0.782 3.497 ( 0.782 0.000 0.000) 0.782 3.602 ( -2.969 0.000 0.000) 2.969 3.602 ( 2.969 0.000 0.000) 2.969 3.670 ( -2.763 0.000 0.000) 2.763 3.670 ( 2.763 0.000 0.000) 2.763 3.767 ( -0.425 0.000 0.000) 0.425 3.767 ( 0.425 0.000 0.000) 0.425 3.987 ( -1.201 0.000 0.000) 1.201 3.987 ( 1.201 0.000 0.000) 1.201 4.412 ( -2.881 0.000 0.000) 2.881 4.412 ( 2.881 0.000 0.000) 2.881 5.358 ( -16.106 0.000 0.000) 16.106 5.358 ( 16.106 0.000 0.000) 16.106 7.305 ( -1.488 0.000 0.000) 1.488 7.305 ( 1.488 0.000 0.000) 1.488 7.363 ( -3.307 0.000 0.000) 3.307 7.363 ( 3.307 0.000 0.000) 3.307 7.415 ( -1.870 0.000 0.000) 1.870 7.415 ( 1.870 0.000 0.000) 1.870 7.688 ( -4.492 0.000 0.000) 4.492 7.688 ( 4.492 0.000 0.000) 4.492 10.747 ( -1.395 0.000 0.000) 1.395 10.747 ( 1.395 0.000 0.000) 1.395 10.902 ( -0.785 0.000 0.000) 0.785 10.902 ( 0.785 0.000 0.000) 0.785 10.909 ( -0.398 0.000 0.000) 0.398 10.909 ( 0.398 0.000 0.000) 0.398 10.991 ( -3.008 0.000 0.000) 3.008 10.991 ( 3.008 0.000 0.000) 3.008 11.029 ( -0.212 0.000 0.000) 0.212 11.029 ( 0.212 0.000 0.000) 0.212 11.059 ( -0.621 0.000 0.000) 0.621 11.059 ( 0.621 0.000 0.000) 0.621 16.102 ( -0.402 0.000 0.000) 0.402 16.102 ( 0.402 0.000 0.000) 0.402 16.172 ( -0.408 0.000 0.000) 0.408 16.172 ( 0.408 0.000 0.000) 0.408 23.424 ( -1.282 0.000 0.000) 1.282 23.424 ( 1.282 0.000 0.000) 1.282 23.793 ( -0.139 0.000 0.000) 0.139 23.793 ( 0.139 0.000 0.000) 0.139 23.822 ( -0.354 0.000 0.000) 0.354 23.822 ( 0.354 0.000 0.000) 0.354 24.002 ( -11.186 0.000 0.000) 11.186 24.002 ( 11.186 0.000 0.000) 11.186 25.051 ( -4.241 0.000 0.000) 4.241 25.051 ( 4.241 0.000 0.000) 4.241 25.616 ( -9.747 0.000 0.000) 9.747 25.616 ( 9.747 0.000 0.000) 9.747 ======================= Grid point 7 (5/60) ======================= q-point: ( 0.00 0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.378 ( 0.000 19.720 0.000) 19.720 0.408 ( 0.000 21.340 0.000) 21.340 0.677 ( 0.000 34.270 0.000) 34.270 1.433 ( 0.000 2.102 0.000) 2.102 1.451 ( 0.000 5.854 0.000) 5.854 1.618 ( 0.000 -1.793 0.000) 1.793 1.623 ( 0.000 2.415 0.000) 2.415 1.726 ( 0.000 2.759 0.000) 2.759 1.815 ( 0.000 -2.821 0.000) 2.821 1.901 ( 0.000 5.001 0.000) 5.001 1.968 ( 0.000 7.106 0.000) 7.106 1.972 ( 0.000 -0.154 0.000) 0.154 1.975 ( 0.000 5.127 0.000) 5.127 2.112 ( 0.000 -2.433 0.000) 2.433 2.180 ( 0.000 -2.365 0.000) 2.365 2.184 ( 0.000 1.658 0.000) 1.658 2.230 ( 0.000 -2.724 0.000) 2.724 2.260 ( 0.000 6.867 0.000) 6.867 2.351 ( 0.000 -2.972 0.000) 2.972 2.390 ( 0.000 -2.337 0.000) 2.337 2.394 ( 0.000 2.755 0.000) 2.755 2.454 ( 0.000 -0.877 0.000) 0.877 2.578 ( 0.000 3.414 0.000) 3.414 2.600 ( 0.000 2.501 0.000) 2.501 2.666 ( 0.000 1.854 0.000) 1.854 2.785 ( 0.000 -4.256 0.000) 4.256 2.838 ( 0.000 -1.397 0.000) 1.397 3.100 ( 0.000 5.277 0.000) 5.277 3.133 ( 0.000 -5.540 0.000) 5.540 3.233 ( 0.000 2.879 0.000) 2.879 3.319 ( 0.000 1.296 0.000) 1.296 3.362 ( 0.000 0.303 0.000) 0.303 3.381 ( 0.000 2.638 0.000) 2.638 3.383 ( 0.000 0.781 0.000) 0.781 3.440 ( 0.000 2.183 0.000) 2.183 3.507 ( 0.000 1.719 0.000) 1.719 3.539 ( 0.000 -1.428 0.000) 1.428 3.741 ( 0.000 3.499 0.000) 3.499 3.753 ( 0.000 5.193 0.000) 5.193 3.759 ( 0.000 -0.231 0.000) 0.231 3.778 ( 0.000 -0.042 0.000) 0.042 4.000 ( 0.000 -6.026 0.000) 6.026 4.034 ( 0.000 -0.741 0.000) 0.741 4.172 ( 0.000 -1.807 0.000) 1.807 4.243 ( 0.000 0.642 0.000) 0.642 4.486 ( 0.000 -3.162 0.000) 3.162 4.603 ( 0.000 -5.896 0.000) 5.896 5.439 ( 0.000 -6.101 0.000) 6.101 7.226 ( 0.000 -1.551 0.000) 1.551 7.267 ( 0.000 3.765 0.000) 3.765 7.315 ( 0.000 -2.806 0.000) 2.806 7.338 ( 0.000 4.403 0.000) 4.403 7.495 ( 0.000 4.675 0.000) 4.675 7.509 ( 0.000 -0.750 0.000) 0.750 7.522 ( 0.000 -0.742 0.000) 0.742 7.772 ( 0.000 -0.366 0.000) 0.366 10.747 ( 0.000 -2.453 0.000) 2.453 10.781 ( 0.000 -1.482 0.000) 1.482 10.786 ( 0.000 0.063 0.000) 0.063 10.833 ( 0.000 -0.048 0.000) 0.048 10.947 ( 0.000 4.447 0.000) 4.447 10.976 ( 0.000 -1.266 0.000) 1.266 11.008 ( 0.000 -1.196 0.000) 1.196 11.018 ( 0.000 -1.171 0.000) 1.171 11.068 ( 0.000 1.004 0.000) 1.004 11.118 ( 0.000 1.310 0.000) 1.310 11.172 ( 0.000 4.063 0.000) 4.063 11.262 ( 0.000 -0.385 0.000) 0.385 16.082 ( 0.000 -0.176 0.000) 0.176 16.112 ( 0.000 -0.228 0.000) 0.228 16.120 ( 0.000 -0.555 0.000) 0.555 16.129 ( 0.000 -0.709 0.000) 0.709 23.375 ( 0.000 -0.072 0.000) 0.072 23.503 ( 0.000 -0.976 0.000) 0.976 23.702 ( 0.000 -3.103 0.000) 3.103 23.847 ( 0.000 5.457 0.000) 5.457 23.853 ( 0.000 0.550 0.000) 0.550 23.858 ( 0.000 3.284 0.000) 3.284 24.146 ( 0.000 4.119 0.000) 4.119 24.469 ( 0.000 0.305 0.000) 0.305 24.585 ( 0.000 -2.310 0.000) 2.310 25.005 ( 0.000 -5.065 0.000) 5.065 25.140 ( 0.000 -5.033 0.000) 5.033 25.596 ( 0.000 -1.221 0.000) 1.221 ======================= Grid point 8 (6/60) ======================= q-point: ( 0.17 0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( 15.075 10.849 0.000) 18.573 0.600 ( 16.398 12.024 0.000) 20.334 1.094 ( 28.098 23.229 0.000) 36.456 1.443 ( -0.487 5.347 0.000) 5.369 1.448 ( 1.329 1.423 0.000) 1.947 1.655 ( 2.737 0.323 0.000) 2.756 1.684 ( 4.221 3.128 0.000) 5.253 1.763 ( 3.173 1.402 0.000) 3.469 1.823 ( 0.520 -1.117 0.000) 1.232 1.922 ( -1.644 1.983 0.000) 2.576 1.924 ( 1.495 5.271 0.000) 5.478 1.972 ( 0.650 3.347 0.000) 3.409 2.012 ( -4.771 7.688 0.000) 9.048 2.089 ( 4.453 3.007 0.000) 5.373 2.096 ( -3.819 -1.926 0.000) 4.277 2.192 ( 1.461 -0.853 0.000) 1.692 2.221 ( -5.577 -0.574 0.000) 5.607 2.252 ( -2.198 5.599 0.000) 6.014 2.287 ( -1.901 -3.783 0.000) 4.234 2.329 ( 2.335 1.167 0.000) 2.610 2.440 ( 2.064 0.259 0.000) 2.081 2.485 ( -3.496 3.137 0.000) 4.697 2.524 ( 2.075 -0.261 0.000) 2.092 2.636 ( -2.145 0.900 0.000) 2.326 2.741 ( -3.276 -4.163 0.000) 5.297 2.766 ( 8.313 -0.825 0.000) 8.354 2.842 ( 0.195 -0.912 0.000) 0.932 3.028 ( -0.955 9.726 0.000) 9.773 3.128 ( -5.183 0.156 0.000) 5.185 3.191 ( 3.288 -5.176 0.000) 6.132 3.245 ( -9.613 -0.746 0.000) 9.642 3.318 ( -3.317 -0.905 0.000) 3.439 3.362 ( 2.334 4.162 0.000) 4.772 3.422 ( 0.467 2.703 0.000) 2.743 3.473 ( -0.012 0.868 0.000) 0.868 3.511 ( -1.872 -2.028 0.000) 2.760 3.539 ( 3.232 0.992 0.000) 3.381 3.693 ( -2.923 5.442 0.000) 6.177 3.746 ( -0.945 -0.063 0.000) 0.947 3.777 ( 0.999 5.017 0.000) 5.115 3.806 ( 0.880 -0.269 0.000) 0.920 3.886 ( -4.894 8.010 0.000) 9.386 3.938 ( -2.069 -3.106 0.000) 3.732 4.114 ( -7.188 2.995 0.000) 7.787 4.300 ( 2.877 -1.411 0.000) 3.205 4.459 ( -1.729 -4.689 0.000) 4.998 4.627 ( 11.748 -4.490 0.000) 12.576 5.663 ( 2.190 -18.269 0.000) 18.400 7.242 ( 1.575 -1.066 0.000) 1.902 7.279 ( 1.048 3.783 0.000) 3.926 7.335 ( 0.980 3.196 0.000) 3.343 7.373 ( 3.677 -2.307 0.000) 4.341 7.490 ( -1.842 -0.461 0.000) 1.899 7.509 ( -1.048 0.001 0.000) 1.048 7.518 ( 0.820 5.569 0.000) 5.629 7.765 ( -0.741 -1.043 0.000) 1.279 10.732 ( -0.835 -1.529 0.000) 1.742 10.775 ( -0.342 -0.614 0.000) 0.703 10.800 ( 1.373 -2.310 0.000) 2.687 10.854 ( 1.269 -0.649 0.000) 1.426 10.938 ( -0.758 2.902 0.000) 3.000 10.944 ( -1.343 0.680 0.000) 1.506 11.004 ( -0.303 -1.797 0.000) 1.822 11.026 ( 0.644 -0.059 0.000) 0.647 11.062 ( -3.909 0.892 0.000) 4.010 11.108 ( 1.012 -1.171 0.000) 1.548 11.146 ( -2.196 3.719 0.000) 4.319 11.210 ( -4.323 -0.122 0.000) 4.324 16.082 ( 0.187 -0.146 0.000) 0.237 16.111 ( -0.362 -0.489 0.000) 0.608 16.126 ( 1.080 -0.315 0.000) 1.126 16.147 ( 0.995 -0.727 0.000) 1.233 23.377 ( 0.455 -0.264 0.000) 0.526 23.485 ( -1.477 -0.833 0.000) 1.695 23.717 ( 1.242 -2.140 0.000) 2.475 23.828 ( -0.391 4.297 0.000) 4.315 23.839 ( -1.099 0.651 0.000) 1.277 23.860 ( 0.262 3.795 0.000) 3.804 23.971 ( -6.726 11.953 0.000) 13.715 24.521 ( -6.244 1.627 0.000) 6.452 24.614 ( 11.210 -0.530 0.000) 11.222 24.990 ( 0.605 -5.519 0.000) 5.552 25.199 ( 5.351 -4.763 0.000) 7.164 25.757 ( 3.553 -10.939 0.000) 11.502 ======================= Grid point 9 (7/60) ======================= q-point: ( 0.33 0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 17.440 3.667 0.000) 17.822 0.979 ( 17.406 6.628 0.000) 18.625 1.412 ( -3.456 4.546 0.000) 5.710 1.460 ( -1.417 2.068 0.000) 2.507 1.681 ( 8.522 3.984 0.000) 9.408 1.735 ( 18.892 11.533 0.000) 22.135 1.745 ( 0.498 -0.404 0.000) 0.641 1.821 ( 0.920 1.275 0.000) 1.572 1.855 ( 3.162 3.921 0.000) 5.037 1.879 ( -2.930 2.954 0.000) 4.161 1.922 ( -1.858 3.510 0.000) 3.971 1.932 ( -2.151 6.112 0.000) 6.479 1.984 ( -2.041 2.337 0.000) 3.103 2.031 ( 3.106 5.785 0.000) 6.566 2.107 ( -0.581 -1.629 0.000) 1.730 2.165 ( -3.986 -1.637 0.000) 4.309 2.243 ( 2.922 1.846 0.000) 3.456 2.245 ( 4.223 3.217 0.000) 5.309 2.290 ( 1.484 -0.790 0.000) 1.681 2.395 ( -1.931 -0.803 0.000) 2.091 2.416 ( 3.139 1.290 0.000) 3.394 2.496 ( 0.892 4.707 0.000) 4.790 2.514 ( -2.594 -1.598 0.000) 3.046 2.602 ( -0.172 -0.060 0.000) 0.182 2.663 ( -4.066 0.953 0.000) 4.176 2.824 ( -5.966 -1.971 0.000) 6.283 2.898 ( 3.469 -1.839 0.000) 3.926 2.957 ( -8.551 3.437 0.000) 9.216 3.077 ( 2.996 3.834 0.000) 4.866 3.079 ( -1.954 -6.510 0.000) 6.797 3.259 ( 2.389 -1.078 0.000) 2.621 3.264 ( -0.161 -1.074 0.000) 1.086 3.372 ( -3.668 0.999 0.000) 3.802 3.393 ( -0.559 3.888 0.000) 3.928 3.463 ( -0.938 -1.784 0.000) 2.016 3.494 ( -1.085 -0.768 0.000) 1.329 3.575 ( 1.527 -2.156 0.000) 2.642 3.685 ( 2.359 9.456 0.000) 9.746 3.725 ( -1.278 0.610 0.000) 1.416 3.758 ( -3.933 1.129 0.000) 4.092 3.787 ( 0.192 2.494 0.000) 2.502 3.833 ( -1.592 7.585 0.000) 7.751 3.947 ( 1.841 -0.076 0.000) 1.843 4.007 ( -1.916 1.096 0.000) 2.207 4.346 ( 1.541 -1.807 0.000) 2.375 4.431 ( -1.944 -4.712 0.000) 5.098 4.930 ( 15.220 -7.100 0.000) 16.795 5.545 ( -10.645 -12.630 0.000) 16.517 7.291 ( 2.754 -0.671 0.000) 2.835 7.311 ( 1.813 3.749 0.000) 4.164 7.359 ( 0.997 3.925 0.000) 4.050 7.432 ( 0.720 1.875 0.000) 2.009 7.434 ( -3.100 0.180 0.000) 3.105 7.480 ( -1.587 1.591 0.000) 2.248 7.562 ( 4.133 0.564 0.000) 4.171 7.734 ( -2.301 -2.210 0.000) 3.191 10.722 ( 0.034 -0.926 0.000) 0.926 10.764 ( -0.951 -1.191 0.000) 1.524 10.833 ( 1.619 -2.885 0.000) 3.308 10.884 ( 1.358 -0.819 0.000) 1.586 10.915 ( -1.414 -0.911 0.000) 1.682 10.921 ( -0.637 0.886 0.000) 1.091 10.982 ( -2.252 0.008 0.000) 2.252 11.008 ( 0.539 -0.554 0.000) 0.773 11.038 ( -0.141 0.335 0.000) 0.364 11.085 ( -3.206 2.412 0.000) 4.012 11.107 ( -0.781 1.007 0.000) 1.274 11.110 ( -3.707 1.459 0.000) 3.984 16.090 ( 0.470 -0.159 0.000) 0.496 16.105 ( -0.192 -0.357 0.000) 0.406 16.150 ( 1.038 -0.481 0.000) 1.144 16.164 ( 0.501 -0.716 0.000) 0.873 23.395 ( 1.077 -0.334 0.000) 1.128 23.451 ( -1.499 -0.407 0.000) 1.553 23.746 ( 1.381 -2.728 0.000) 3.058 23.812 ( -1.402 -0.628 0.000) 1.537 23.842 ( 0.585 3.540 0.000) 3.588 23.884 ( -2.284 7.131 0.000) 7.488 23.905 ( 5.245 6.260 0.000) 8.167 24.324 ( -11.133 5.962 0.000) 12.630 24.858 ( 9.697 -2.718 0.000) 10.071 25.018 ( 1.095 -6.478 0.000) 6.570 25.361 ( 9.151 -4.341 0.000) 10.128 25.726 ( -5.086 -7.068 0.000) 8.707 ======================= Grid point 10 (8/60) ======================= q-point: (-0.50 0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( -12.016 2.817 0.000) 12.342 1.247 ( 12.016 2.817 0.000) 12.342 1.313 ( -12.300 3.923 0.000) 12.910 1.313 ( 12.300 3.923 0.000) 12.910 1.720 ( -1.913 -0.222 0.000) 1.926 1.720 ( 1.913 -0.222 0.000) 1.926 1.823 ( -0.435 5.215 0.000) 5.233 1.823 ( 0.435 5.215 0.000) 5.233 1.882 ( -1.003 2.761 0.000) 2.938 1.882 ( 1.003 2.761 0.000) 2.938 1.935 ( -1.600 4.138 0.000) 4.437 1.935 ( 1.600 4.138 0.000) 4.437 2.082 ( -2.528 0.139 0.000) 2.532 2.082 ( 2.528 0.139 0.000) 2.532 2.187 ( -5.030 1.263 0.000) 5.186 2.187 ( 5.030 1.263 0.000) 5.186 2.276 ( -9.958 4.449 0.000) 10.907 2.276 ( 9.958 4.449 0.000) 10.907 2.332 ( -5.800 5.626 0.000) 8.080 2.332 ( 5.800 5.626 0.000) 8.080 2.455 ( -3.880 -1.706 0.000) 4.238 2.455 ( 3.880 -1.706 0.000) 4.238 2.523 ( -5.283 3.094 0.000) 6.122 2.523 ( 5.283 3.094 0.000) 6.122 2.634 ( -3.137 0.442 0.000) 3.168 2.634 ( 3.137 0.442 0.000) 3.168 2.931 ( -0.194 0.114 0.000) 0.225 2.931 ( 0.194 0.114 0.000) 0.225 3.079 ( -1.247 -6.464 0.000) 6.583 3.079 ( 1.247 -6.464 0.000) 6.583 3.305 ( -2.271 0.119 0.000) 2.275 3.305 ( 2.271 0.119 0.000) 2.275 3.338 ( -4.520 3.165 0.000) 5.518 3.338 ( 4.520 3.165 0.000) 5.518 3.451 ( -1.487 -2.148 0.000) 2.613 3.451 ( 1.487 -2.148 0.000) 2.613 3.649 ( -4.206 -0.482 0.000) 4.233 3.649 ( 4.206 -0.482 0.000) 4.233 3.728 ( -0.819 6.966 0.000) 7.014 3.728 ( 0.819 6.966 0.000) 7.014 3.799 ( -1.249 3.948 0.000) 4.141 3.799 ( 1.249 3.948 0.000) 4.141 3.983 ( -1.184 -0.011 0.000) 1.184 3.983 ( 1.184 -0.011 0.000) 1.184 4.382 ( -2.092 -2.759 0.000) 3.463 4.382 ( 2.092 -2.759 0.000) 3.463 5.261 ( -14.842 -9.549 0.000) 17.649 5.261 ( 14.842 -9.549 0.000) 17.649 7.344 ( -0.077 0.962 0.000) 0.965 7.344 ( 0.077 0.962 0.000) 0.965 7.369 ( -1.805 3.049 0.000) 3.543 7.369 ( 1.805 3.049 0.000) 3.543 7.446 ( -1.306 3.158 0.000) 3.418 7.446 ( 1.306 3.158 0.000) 3.418 7.662 ( -4.291 -2.511 0.000) 4.972 7.662 ( 4.291 -2.511 0.000) 4.972 10.737 ( -1.256 -1.020 0.000) 1.618 10.737 ( 1.256 -1.020 0.000) 1.618 10.870 ( -1.773 -2.708 0.000) 3.237 10.870 ( 1.773 -2.708 0.000) 3.237 10.912 ( -0.297 -0.089 0.000) 0.310 10.912 ( 0.297 -0.089 0.000) 0.310 10.985 ( -2.633 -0.505 0.000) 2.681 10.985 ( 2.633 -0.505 0.000) 2.681 11.037 ( -1.941 1.295 0.000) 2.333 11.037 ( 1.941 1.295 0.000) 2.333 11.086 ( -0.806 2.337 0.000) 2.472 11.086 ( 0.806 2.337 0.000) 2.472 16.100 ( -0.357 -0.238 0.000) 0.429 16.100 ( 0.357 -0.238 0.000) 0.429 16.166 ( -0.356 -0.626 0.000) 0.720 16.166 ( 0.356 -0.626 0.000) 0.720 23.421 ( -1.292 -0.247 0.000) 1.316 23.421 ( 1.292 -0.247 0.000) 1.316 23.779 ( -1.602 -2.602 0.000) 3.056 23.779 ( 1.602 -2.602 0.000) 3.056 23.853 ( -0.746 4.649 0.000) 4.708 23.853 ( 0.746 4.649 0.000) 4.708 24.081 ( -10.413 7.310 0.000) 12.723 24.081 ( 10.413 7.310 0.000) 12.723 25.000 ( -3.367 -4.961 0.000) 5.996 25.000 ( 3.367 -4.961 0.000) 5.996 25.567 ( -9.076 -4.882 0.000) 10.305 25.567 ( 9.076 -4.882 0.000) 10.305 ======================= Grid point 14 (9/60) ======================= q-point: ( 0.00 0.22 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 0.000 18.320 0.000) 18.320 0.801 ( 0.000 19.975 0.000) 19.975 1.242 ( 0.000 22.092 0.000) 22.092 1.528 ( 0.000 10.203 0.000) 10.203 1.575 ( 0.000 -2.132 0.000) 2.132 1.588 ( 0.000 7.478 0.000) 7.478 1.689 ( 0.000 4.504 0.000) 4.504 1.757 ( 0.000 -2.997 0.000) 2.997 1.794 ( 0.000 4.176 0.000) 4.176 1.964 ( 0.000 -0.850 0.000) 0.850 1.996 ( 0.000 3.164 0.000) 3.164 2.033 ( 0.000 -4.915 0.000) 4.915 2.075 ( 0.000 4.203 0.000) 4.203 2.111 ( 0.000 6.547 0.000) 6.547 2.149 ( 0.000 0.538 0.000) 0.538 2.188 ( 0.000 -0.626 0.000) 0.626 2.241 ( 0.000 3.506 0.000) 3.506 2.322 ( 0.000 -4.862 0.000) 4.862 2.339 ( 0.000 2.694 0.000) 2.694 2.401 ( 0.000 6.782 0.000) 6.782 2.411 ( 0.000 -3.568 0.000) 3.568 2.474 ( 0.000 5.799 0.000) 5.799 2.599 ( 0.000 -1.020 0.000) 1.020 2.627 ( 0.000 1.511 0.000) 1.511 2.689 ( 0.000 -5.340 0.000) 5.340 2.799 ( 0.000 -2.547 0.000) 2.547 2.805 ( 0.000 10.546 0.000) 10.546 3.008 ( 0.000 -7.624 0.000) 7.624 3.195 ( 0.000 3.316 0.000) 3.316 3.266 ( 0.000 -5.322 0.000) 5.322 3.282 ( 0.000 1.499 0.000) 1.499 3.417 ( 0.000 3.748 0.000) 3.748 3.435 ( 0.000 5.436 0.000) 5.436 3.452 ( 0.000 4.757 0.000) 4.757 3.490 ( 0.000 2.827 0.000) 2.827 3.492 ( 0.000 -3.550 0.000) 3.550 3.535 ( 0.000 1.218 0.000) 1.218 3.754 ( 0.000 0.144 0.000) 0.144 3.777 ( 0.000 -0.078 0.000) 0.078 3.819 ( 0.000 -6.076 0.000) 6.076 3.851 ( 0.000 7.599 0.000) 7.599 3.913 ( 0.000 4.931 0.000) 4.931 4.024 ( 0.000 -0.046 0.000) 0.046 4.127 ( 0.000 -2.684 0.000) 2.684 4.263 ( 0.000 1.437 0.000) 1.437 4.416 ( 0.000 -3.681 0.000) 3.681 4.463 ( 0.000 -8.183 0.000) 8.183 5.269 ( 0.000 -11.682 0.000) 11.682 7.204 ( 0.000 -0.827 0.000) 0.827 7.267 ( 0.000 -2.264 0.000) 2.264 7.339 ( 0.000 2.619 0.000) 2.619 7.433 ( 0.000 5.393 0.000) 5.393 7.482 ( 0.000 -2.192 0.000) 2.192 7.526 ( 0.000 2.040 0.000) 2.040 7.582 ( 0.000 4.171 0.000) 4.171 7.768 ( 0.000 -0.036 0.000) 0.036 10.703 ( 0.000 -1.961 0.000) 1.961 10.747 ( 0.000 -1.904 0.000) 1.904 10.788 ( 0.000 0.168 0.000) 0.168 10.832 ( 0.000 -0.160 0.000) 0.160 10.949 ( 0.000 -1.464 0.000) 1.464 10.972 ( 0.000 -2.313 0.000) 2.313 11.002 ( 0.000 -0.411 0.000) 0.411 11.029 ( 0.000 3.410 0.000) 3.410 11.100 ( 0.000 2.165 0.000) 2.165 11.145 ( 0.000 1.485 0.000) 1.485 11.258 ( 0.000 4.624 0.000) 4.624 11.265 ( 0.000 1.149 0.000) 1.149 16.078 ( 0.000 -0.147 0.000) 0.147 16.106 ( 0.000 -0.401 0.000) 0.401 16.106 ( 0.000 -0.878 0.000) 0.878 16.112 ( 0.000 -1.085 0.000) 1.085 23.380 ( 0.000 0.822 0.000) 0.822 23.481 ( 0.000 -1.220 0.000) 1.220 23.634 ( 0.000 -3.936 0.000) 3.936 23.847 ( 0.000 -1.594 0.000) 1.594 23.940 ( 0.000 5.034 0.000) 5.034 23.966 ( 0.000 6.628 0.000) 6.628 24.236 ( 0.000 4.170 0.000) 4.170 24.481 ( 0.000 1.062 0.000) 1.062 24.524 ( 0.000 -3.982 0.000) 3.982 24.918 ( 0.000 -2.297 0.000) 2.297 25.010 ( 0.000 -8.307 0.000) 8.307 25.557 ( 0.000 -3.094 0.000) 3.094 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.17 0.22 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( 5.678 17.279 0.000) 18.188 0.867 ( 10.649 15.118 0.000) 18.492 1.462 ( 7.926 5.738 0.000) 9.785 1.559 ( -1.459 5.886 0.000) 6.064 1.583 ( 13.506 19.253 0.000) 23.518 1.644 ( 4.605 -0.148 0.000) 4.607 1.751 ( -0.104 0.251 0.000) 0.271 1.786 ( 6.036 4.197 0.000) 7.352 1.824 ( 2.626 1.791 0.000) 3.179 1.952 ( -0.847 0.968 0.000) 1.286 2.002 ( -0.610 1.833 0.000) 1.932 2.028 ( -0.538 -3.751 0.000) 3.790 2.062 ( 1.356 5.508 0.000) 5.672 2.132 ( -0.555 3.124 0.000) 3.173 2.175 ( 1.420 -0.024 0.000) 1.420 2.186 ( -3.222 6.003 0.000) 6.814 2.211 ( -3.673 -0.970 0.000) 3.798 2.241 ( 1.606 2.929 0.000) 3.340 2.360 ( 0.402 1.085 0.000) 1.157 2.383 ( -0.944 4.498 0.000) 4.596 2.447 ( 4.700 1.423 0.000) 4.910 2.518 ( 0.487 0.555 0.000) 0.739 2.560 ( -2.385 3.757 0.000) 4.450 2.649 ( -1.491 -4.468 0.000) 4.711 2.656 ( -0.244 0.517 0.000) 0.572 2.794 ( 0.279 -4.074 0.000) 4.084 2.812 ( 1.383 6.511 0.000) 6.656 3.061 ( 0.398 -6.728 0.000) 6.740 3.170 ( -3.068 1.138 0.000) 3.272 3.179 ( 0.481 5.117 0.000) 5.140 3.221 ( -6.222 -1.151 0.000) 6.328 3.325 ( -6.724 2.674 0.000) 7.236 3.444 ( 2.345 3.941 0.000) 4.585 3.461 ( -3.131 -1.789 0.000) 3.607 3.495 ( -2.795 0.640 0.000) 2.867 3.501 ( 2.024 3.683 0.000) 4.202 3.526 ( 0.554 -1.039 0.000) 1.177 3.729 ( -1.066 -1.367 0.000) 1.734 3.789 ( -1.529 -5.256 0.000) 5.474 3.801 ( 0.009 -0.217 0.000) 0.217 3.851 ( 0.427 9.577 0.000) 9.586 3.954 ( 2.763 6.734 0.000) 7.279 3.968 ( -2.813 2.515 0.000) 3.774 4.156 ( -0.960 0.119 0.000) 0.968 4.279 ( 1.471 -0.492 0.000) 1.551 4.359 ( -4.297 -5.072 0.000) 6.647 4.523 ( 8.825 -5.977 0.000) 10.659 5.335 ( 1.611 -16.583 0.000) 16.661 7.227 ( 1.875 -0.626 0.000) 1.977 7.311 ( 3.968 -2.715 0.000) 4.808 7.344 ( 0.482 1.939 0.000) 1.998 7.431 ( 0.238 5.350 0.000) 5.356 7.491 ( 0.706 -1.544 0.000) 1.697 7.510 ( -1.319 2.860 0.000) 3.150 7.611 ( 1.440 4.068 0.000) 4.316 7.749 ( -1.730 -0.408 0.000) 1.777 10.701 ( -0.116 -1.542 0.000) 1.547 10.756 ( 0.747 -2.277 0.000) 2.397 10.771 ( -1.239 0.074 0.000) 1.241 10.844 ( 0.945 -0.511 0.000) 1.075 10.936 ( -1.902 -1.330 0.000) 2.320 10.961 ( 0.047 -2.133 0.000) 2.134 10.970 ( -2.028 0.609 0.000) 2.117 11.045 ( 0.567 1.345 0.000) 1.459 11.089 ( -3.510 1.810 0.000) 3.949 11.116 ( 0.614 1.444 0.000) 1.570 11.214 ( -3.574 2.577 0.000) 4.406 11.234 ( -2.652 3.586 0.000) 4.461 16.080 ( 0.221 -0.094 0.000) 0.240 16.099 ( -0.197 -0.717 0.000) 0.744 16.118 ( 0.927 -0.510 0.000) 1.058 16.128 ( 0.954 -1.158 0.000) 1.500 23.379 ( 0.175 0.623 0.000) 0.647 23.468 ( -1.016 -0.858 0.000) 1.330 23.661 ( 1.837 -3.616 0.000) 4.056 23.827 ( -1.984 -2.341 0.000) 3.069 23.921 ( -1.050 5.086 0.000) 5.194 23.959 ( 0.706 6.060 0.000) 6.101 24.143 ( -5.953 6.186 0.000) 8.585 24.582 ( 2.169 4.184 0.000) 4.713 24.608 ( 9.498 0.143 0.000) 9.499 24.859 ( -3.752 -6.484 0.000) 7.491 25.078 ( 6.037 -7.667 0.000) 9.758 25.589 ( 1.443 -7.165 0.000) 7.309 ======================= Grid point 16 (11/60) ======================= q-point: ( 0.33 0.22 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 12.969 9.839 0.000) 16.279 1.145 ( 13.752 10.212 0.000) 17.129 1.504 ( -4.822 4.478 0.000) 6.581 1.512 ( -0.000 3.074 0.000) 3.074 1.714 ( 0.952 1.069 0.000) 1.431 1.741 ( -0.730 -0.424 0.000) 0.844 1.862 ( 1.776 2.863 0.000) 3.369 1.918 ( 4.014 2.695 0.000) 4.834 1.921 ( 0.079 1.638 0.000) 1.640 1.996 ( 0.599 3.809 0.000) 3.856 2.000 ( 2.071 2.441 0.000) 3.201 2.019 ( 6.053 11.294 0.000) 12.814 2.067 ( -3.581 -3.620 0.000) 5.092 2.106 ( -4.737 3.077 0.000) 5.649 2.114 ( 7.849 9.271 0.000) 12.147 2.142 ( 4.889 3.397 0.000) 5.954 2.275 ( 5.415 1.559 0.000) 5.635 2.308 ( 4.334 5.471 0.000) 6.979 2.365 ( -0.349 1.749 0.000) 1.784 2.447 ( 2.463 -0.398 0.000) 2.495 2.470 ( -3.287 10.291 0.000) 10.803 2.474 ( -0.771 -0.709 0.000) 1.048 2.567 ( 3.696 1.001 0.000) 3.829 2.606 ( -3.015 2.379 0.000) 3.841 2.662 ( 0.622 0.096 0.000) 0.629 2.812 ( -0.087 -1.376 0.000) 1.378 2.862 ( 2.302 -0.835 0.000) 2.449 2.959 ( -4.610 -3.808 0.000) 5.979 3.026 ( -9.988 2.463 0.000) 10.288 3.155 ( -6.847 3.201 0.000) 7.559 3.227 ( 3.708 -1.198 0.000) 3.897 3.254 ( 3.359 0.918 0.000) 3.482 3.386 ( -2.714 0.072 0.000) 2.715 3.408 ( -3.778 -2.730 0.000) 4.661 3.476 ( -0.839 1.848 0.000) 2.030 3.505 ( -2.443 1.323 0.000) 2.778 3.556 ( 3.456 0.745 0.000) 3.535 3.707 ( -1.868 -1.317 0.000) 2.285 3.755 ( -1.938 -1.578 0.000) 2.499 3.771 ( -0.485 -3.660 0.000) 3.692 3.888 ( 2.709 10.587 0.000) 10.928 3.944 ( 0.212 3.476 0.000) 3.483 3.998 ( 1.211 5.478 0.000) 5.610 4.085 ( -3.639 6.012 0.000) 7.028 4.312 ( 1.217 -1.350 0.000) 1.818 4.334 ( 0.045 -4.407 0.000) 4.407 4.759 ( 12.352 -10.153 0.000) 15.990 5.262 ( -7.862 -16.208 0.000) 18.014 7.277 ( 2.581 -0.725 0.000) 2.681 7.353 ( -0.011 0.045 0.000) 0.047 7.410 ( 3.529 -2.350 0.000) 4.240 7.456 ( 2.874 4.884 0.000) 5.666 7.471 ( -1.709 2.179 0.000) 2.769 7.515 ( 1.097 3.030 0.000) 3.223 7.617 ( -0.672 4.190 0.000) 4.243 7.693 ( -3.338 -1.289 0.000) 3.578 10.701 ( 0.214 -1.080 0.000) 1.101 10.741 ( -1.413 -0.944 0.000) 1.699 10.777 ( 1.254 -2.825 0.000) 3.090 10.859 ( -0.839 -2.121 0.000) 2.281 10.890 ( -0.619 -0.903 0.000) 1.095 10.930 ( -1.477 0.227 0.000) 1.495 10.964 ( -0.431 -1.387 0.000) 1.452 11.031 ( -2.332 -1.068 0.000) 2.565 11.035 ( 0.001 2.597 0.000) 2.597 11.132 ( 0.447 1.481 0.000) 1.547 11.143 ( -2.247 3.674 0.000) 4.307 11.163 ( -3.325 3.544 0.000) 4.860 16.087 ( 0.410 -0.102 0.000) 0.423 16.097 ( -0.025 -0.462 0.000) 0.463 16.138 ( 0.842 -0.745 0.000) 1.124 16.146 ( 0.565 -1.155 0.000) 1.286 23.393 ( 1.047 0.307 0.000) 1.091 23.444 ( -1.101 -0.165 0.000) 1.113 23.690 ( 0.909 -3.314 0.000) 3.436 23.770 ( -2.845 -3.632 0.000) 4.613 23.927 ( 1.123 4.985 0.000) 5.110 24.032 ( 6.798 6.505 0.000) 9.409 24.033 ( -4.115 7.583 0.000) 8.628 24.488 ( -10.126 10.541 0.000) 14.617 24.803 ( 7.170 -2.369 0.000) 7.551 24.859 ( 2.866 -9.382 0.000) 9.810 25.252 ( 9.377 -6.765 0.000) 11.563 25.572 ( -3.310 -8.496 0.000) 9.118 ======================= Grid point 17 (12/60) ======================= q-point: (-0.50 0.22 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( -11.393 5.279 0.000) 12.556 1.324 ( 11.393 5.279 0.000) 12.556 1.413 ( -9.677 6.247 0.000) 11.518 1.413 ( 9.677 6.247 0.000) 11.518 1.720 ( -0.939 0.315 0.000) 0.991 1.720 ( 0.939 0.315 0.000) 0.991 1.894 ( -1.453 2.476 0.000) 2.871 1.894 ( 1.453 2.476 0.000) 2.871 1.967 ( -1.503 1.682 0.000) 2.255 1.967 ( 1.503 1.682 0.000) 2.255 2.020 ( -1.744 3.367 0.000) 3.792 2.020 ( 1.744 3.367 0.000) 3.792 2.048 ( -1.414 3.890 0.000) 4.139 2.048 ( 1.414 3.890 0.000) 4.139 2.241 ( -2.963 -0.245 0.000) 2.974 2.241 ( 2.963 -0.245 0.000) 2.974 2.388 ( -0.564 -0.066 0.000) 0.568 2.388 ( 0.564 -0.066 0.000) 0.568 2.395 ( -0.893 7.619 0.000) 7.671 2.395 ( 0.893 7.619 0.000) 7.671 2.532 ( -1.437 7.464 0.000) 7.602 2.532 ( 1.437 7.464 0.000) 7.602 2.593 ( -13.039 5.386 0.000) 14.107 2.593 ( 13.039 5.386 0.000) 14.107 2.641 ( -3.556 1.440 0.000) 3.836 2.641 ( 3.556 1.440 0.000) 3.836 2.899 ( -1.553 -3.625 0.000) 3.943 2.899 ( 1.553 -3.625 0.000) 3.943 3.007 ( -5.914 -0.110 0.000) 5.915 3.007 ( 5.914 -0.110 0.000) 5.915 3.280 ( -1.241 -0.987 0.000) 1.586 3.280 ( 1.241 -0.987 0.000) 1.586 3.381 ( -0.135 -0.835 0.000) 0.846 3.381 ( 0.135 -0.835 0.000) 0.846 3.441 ( -0.108 1.126 0.000) 1.131 3.441 ( 0.108 1.126 0.000) 1.131 3.641 ( -3.660 0.083 0.000) 3.661 3.641 ( 3.660 0.083 0.000) 3.661 3.757 ( -0.832 -2.496 0.000) 2.631 3.757 ( 0.832 -2.496 0.000) 2.631 3.940 ( -1.312 7.213 0.000) 7.331 3.940 ( 1.312 7.213 0.000) 7.331 4.023 ( -1.834 5.310 0.000) 5.618 4.023 ( 1.834 5.310 0.000) 5.618 4.329 ( -0.474 -2.179 0.000) 2.230 4.329 ( 0.474 -2.179 0.000) 2.230 5.033 ( -12.375 -13.528 0.000) 18.334 5.033 ( 12.375 -13.528 0.000) 18.334 7.330 ( -2.059 -1.100 0.000) 2.335 7.330 ( 2.059 -1.100 0.000) 2.335 7.444 ( -0.863 2.108 0.000) 2.278 7.444 ( 0.863 2.108 0.000) 2.278 7.526 ( -1.117 4.796 0.000) 4.925 7.526 ( 1.117 4.796 0.000) 4.925 7.620 ( -2.303 -0.527 0.000) 2.362 7.620 ( 2.303 -0.527 0.000) 2.362 10.714 ( -0.984 -1.184 0.000) 1.539 10.714 ( 0.984 -1.184 0.000) 1.539 10.813 ( -2.103 -3.027 0.000) 3.686 10.813 ( 2.103 -3.027 0.000) 3.686 10.907 ( -0.852 -0.314 0.000) 0.908 10.907 ( 0.852 -0.314 0.000) 0.908 10.972 ( -1.981 -0.937 0.000) 2.191 10.972 ( 1.981 -0.937 0.000) 2.191 11.079 ( -3.170 2.837 0.000) 4.254 11.079 ( 3.170 2.837 0.000) 4.254 11.136 ( -0.086 2.697 0.000) 2.698 11.136 ( 0.086 2.697 0.000) 2.698 16.095 ( -0.226 -0.240 0.000) 0.330 16.095 ( 0.226 -0.240 0.000) 0.330 16.150 ( -0.200 -0.996 0.000) 1.016 16.150 ( 0.200 -0.996 0.000) 1.016 23.419 ( -1.236 0.179 0.000) 1.248 23.419 ( 1.236 0.179 0.000) 1.248 23.717 ( -1.854 -3.730 0.000) 4.165 23.717 ( 1.854 -3.730 0.000) 4.165 23.963 ( -2.365 6.306 0.000) 6.735 23.963 ( 2.365 6.306 0.000) 6.735 24.239 ( -11.474 8.113 0.000) 14.052 24.239 ( 11.474 8.113 0.000) 14.052 24.892 ( -0.904 -5.325 0.000) 5.401 24.892 ( 0.904 -5.325 0.000) 5.401 25.448 ( -7.914 -7.266 0.000) 10.744 25.448 ( 7.914 -7.266 0.000) 10.744 ======================= Grid point 21 (13/60) ======================= q-point: ( 0.00 0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 0.000 15.527 0.000) 15.527 1.154 ( 0.000 17.011 0.000) 17.011 1.462 ( 0.000 5.619 0.000) 5.619 1.552 ( 0.000 -0.074 0.000) 0.074 1.632 ( 0.000 -4.036 0.000) 4.036 1.770 ( 0.000 4.830 0.000) 4.830 1.772 ( 0.000 5.633 0.000) 5.633 1.791 ( 0.000 6.224 0.000) 6.224 1.878 ( 0.000 4.335 0.000) 4.335 1.942 ( 0.000 0.038 0.000) 0.038 1.983 ( 0.000 2.307 0.000) 2.307 1.992 ( 0.000 -1.852 0.000) 1.852 2.103 ( 0.000 -0.491 0.000) 0.491 2.188 ( 0.000 0.950 0.000) 0.950 2.202 ( 0.000 -0.388 0.000) 0.388 2.211 ( 0.000 -6.193 0.000) 6.193 2.225 ( 0.000 6.115 0.000) 6.115 2.341 ( 0.000 -2.587 0.000) 2.587 2.359 ( 0.000 10.546 0.000) 10.546 2.431 ( 0.000 5.835 0.000) 5.835 2.501 ( 0.000 3.888 0.000) 3.888 2.590 ( 0.000 0.117 0.000) 0.117 2.610 ( 0.000 7.679 0.000) 7.679 2.614 ( 0.000 -2.104 0.000) 2.104 2.638 ( 0.000 0.025 0.000) 0.025 2.754 ( 0.000 -1.424 0.000) 1.424 2.854 ( 0.000 -7.736 0.000) 7.736 2.957 ( 0.000 3.243 0.000) 3.243 3.138 ( 0.000 -7.894 0.000) 7.894 3.220 ( 0.000 0.154 0.000) 0.154 3.253 ( 0.000 -5.323 0.000) 5.323 3.390 ( 0.000 -6.216 0.000) 6.216 3.485 ( 0.000 3.348 0.000) 3.348 3.537 ( 0.000 1.938 0.000) 1.938 3.556 ( 0.000 0.925 0.000) 0.925 3.571 ( 0.000 7.466 0.000) 7.466 3.574 ( 0.000 6.684 0.000) 6.684 3.672 ( 0.000 -6.385 0.000) 6.385 3.776 ( 0.000 0.006 0.000) 0.006 3.777 ( 0.000 1.960 0.000) 1.960 3.995 ( 0.000 6.729 0.000) 6.729 4.043 ( 0.000 5.850 0.000) 5.850 4.057 ( 0.000 4.959 0.000) 4.959 4.083 ( 0.000 -1.531 0.000) 1.531 4.299 ( 0.000 2.403 0.000) 2.403 4.318 ( 0.000 -6.516 0.000) 6.516 4.365 ( 0.000 -1.319 0.000) 1.319 5.003 ( 0.000 -16.255 0.000) 16.255 7.194 ( 0.000 -0.318 0.000) 0.318 7.229 ( 0.000 -1.667 0.000) 1.667 7.353 ( 0.000 -0.340 0.000) 0.340 7.430 ( 0.000 -3.020 0.000) 3.020 7.534 ( 0.000 5.036 0.000) 5.036 7.604 ( 0.000 5.256 0.000) 5.256 7.642 ( 0.000 2.019 0.000) 2.019 7.767 ( 0.000 -0.218 0.000) 0.218 10.676 ( 0.000 -0.871 0.000) 0.871 10.712 ( 0.000 -1.695 0.000) 1.695 10.793 ( 0.000 0.352 0.000) 0.352 10.826 ( 0.000 -0.440 0.000) 0.440 10.924 ( 0.000 -1.122 0.000) 1.122 10.930 ( 0.000 -1.807 0.000) 1.807 11.003 ( 0.000 0.516 0.000) 0.516 11.060 ( 0.000 0.022 0.000) 0.022 11.141 ( 0.000 1.998 0.000) 1.998 11.170 ( 0.000 0.993 0.000) 0.993 11.311 ( 0.000 3.254 0.000) 3.254 11.336 ( 0.000 3.355 0.000) 3.355 16.077 ( 0.000 0.064 0.000) 0.064 16.089 ( 0.000 -0.804 0.000) 0.804 16.092 ( 0.000 -0.952 0.000) 0.952 16.097 ( 0.000 -0.481 0.000) 0.481 23.415 ( 0.000 3.106 0.000) 3.106 23.463 ( 0.000 -0.554 0.000) 0.554 23.559 ( 0.000 -3.781 0.000) 3.781 23.779 ( 0.000 -5.800 0.000) 5.800 24.037 ( 0.000 4.880 0.000) 4.880 24.078 ( 0.000 4.736 0.000) 4.736 24.277 ( 0.000 0.738 0.000) 0.738 24.441 ( 0.000 -4.588 0.000) 4.588 24.513 ( 0.000 2.420 0.000) 2.420 24.843 ( 0.000 -8.923 0.000) 8.923 24.967 ( 0.000 7.245 0.000) 7.245 25.473 ( 0.000 -5.822 0.000) 5.822 ======================= Grid point 22 (14/60) ======================= q-point: ( 0.17 0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 7.124 13.665 0.000) 15.411 1.155 ( 2.149 16.672 0.000) 16.810 1.530 ( 2.195 2.879 0.000) 3.620 1.610 ( -1.503 -1.637 0.000) 2.222 1.625 ( 6.784 -0.406 0.000) 6.796 1.751 ( -0.415 2.092 0.000) 2.133 1.828 ( 4.165 -1.608 0.000) 4.464 1.872 ( 1.561 3.002 0.000) 3.383 1.897 ( 4.951 5.222 0.000) 7.196 1.970 ( 0.785 0.983 0.000) 1.258 1.996 ( 0.718 -1.036 0.000) 1.260 2.009 ( 4.872 5.882 0.000) 7.638 2.162 ( 1.399 5.162 0.000) 5.348 2.186 ( -0.749 -1.912 0.000) 2.053 2.201 ( -0.412 3.058 0.000) 3.086 2.211 ( 4.671 1.842 0.000) 5.021 2.279 ( 1.947 -0.232 0.000) 1.960 2.310 ( -2.482 7.624 0.000) 8.018 2.340 ( 1.207 -1.169 0.000) 1.681 2.446 ( -0.851 3.688 0.000) 3.785 2.493 ( 1.817 2.694 0.000) 3.250 2.560 ( -4.440 2.859 0.000) 5.281 2.615 ( 0.526 2.041 0.000) 2.108 2.646 ( 2.003 4.013 0.000) 4.485 2.667 ( 2.537 1.936 0.000) 3.191 2.702 ( 0.623 -4.075 0.000) 4.122 2.927 ( 1.539 -6.794 0.000) 6.966 2.942 ( -2.040 4.519 0.000) 4.958 3.112 ( -1.056 -5.784 0.000) 5.880 3.216 ( 0.988 -0.139 0.000) 0.998 3.219 ( -2.227 -2.190 0.000) 3.124 3.348 ( -4.657 -4.276 0.000) 6.323 3.463 ( -4.002 -0.677 0.000) 4.059 3.468 ( -4.901 5.738 0.000) 7.547 3.508 ( -1.416 1.203 0.000) 1.858 3.545 ( 0.781 2.203 0.000) 2.337 3.579 ( -1.679 2.935 0.000) 3.381 3.679 ( 0.292 -4.852 0.000) 4.861 3.728 ( -1.764 1.932 0.000) 2.616 3.799 ( -1.386 0.018 0.000) 1.386 4.027 ( 2.402 7.969 0.000) 8.323 4.028 ( -2.122 4.128 0.000) 4.642 4.089 ( 2.719 6.151 0.000) 6.725 4.133 ( 2.839 -0.982 0.000) 3.004 4.288 ( -0.158 1.418 0.000) 1.427 4.288 ( -0.943 -1.966 0.000) 2.180 4.422 ( 4.830 -4.257 0.000) 6.439 5.017 ( -0.110 -17.283 0.000) 17.284 7.218 ( 1.973 -0.246 0.000) 1.988 7.265 ( 3.182 -2.077 0.000) 3.800 7.351 ( -0.195 -0.398 0.000) 0.443 7.441 ( 0.708 -3.244 0.000) 3.320 7.535 ( 0.378 5.304 0.000) 5.318 7.601 ( -0.080 5.504 0.000) 5.504 7.666 ( 1.480 1.602 0.000) 2.181 7.749 ( -1.702 0.080 0.000) 1.704 10.679 ( 0.247 -0.743 0.000) 0.783 10.717 ( 0.390 -1.824 0.000) 1.865 10.777 ( -1.488 0.523 0.000) 1.577 10.831 ( 0.264 -0.909 0.000) 0.947 10.908 ( -1.825 -1.193 0.000) 2.180 10.930 ( 0.475 -1.324 0.000) 1.407 10.980 ( -1.886 0.690 0.000) 2.009 11.049 ( -1.181 -0.823 0.000) 1.439 11.124 ( -2.623 1.729 0.000) 3.141 11.145 ( -0.201 1.272 0.000) 1.287 11.275 ( -2.845 3.613 0.000) 4.598 11.304 ( -2.803 3.160 0.000) 4.224 16.080 ( 0.287 0.145 0.000) 0.322 16.086 ( 0.068 -0.527 0.000) 0.531 16.106 ( 0.852 -1.137 0.000) 1.421 16.107 ( 0.751 -0.613 0.000) 0.969 23.409 ( -0.268 2.717 0.000) 2.730 23.458 ( -0.305 0.012 0.000) 0.306 23.587 ( 1.978 -4.006 0.000) 4.468 23.744 ( -2.824 -6.148 0.000) 6.765 24.013 ( -1.379 4.458 0.000) 4.667 24.061 ( 0.040 4.164 0.000) 4.164 24.229 ( -2.675 3.761 0.000) 4.615 24.562 ( 7.691 -6.786 0.000) 10.257 24.628 ( 8.357 2.060 0.000) 8.607 24.882 ( -7.171 9.227 0.000) 11.686 24.926 ( 7.188 -7.959 0.000) 10.724 25.458 ( -1.365 -7.297 0.000) 7.423 ======================= Grid point 23 (15/60) ======================= q-point: ( 0.33 0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( 7.601 12.750 0.000) 14.844 1.340 ( 9.909 9.666 0.000) 13.842 1.565 ( -3.331 1.698 0.000) 3.739 1.566 ( 1.091 2.570 0.000) 2.792 1.725 ( 1.717 -0.413 0.000) 1.766 1.732 ( -1.030 0.186 0.000) 1.047 1.900 ( 1.773 -5.837 0.000) 6.100 1.908 ( 1.720 1.397 0.000) 2.216 1.962 ( 0.143 1.503 0.000) 1.509 1.971 ( -0.317 2.094 0.000) 2.118 2.051 ( 3.525 3.111 0.000) 4.702 2.087 ( -0.167 3.519 0.000) 3.523 2.167 ( -0.910 0.967 0.000) 1.328 2.188 ( 0.726 2.483 0.000) 2.587 2.228 ( -1.474 8.632 0.000) 8.757 2.248 ( 3.462 5.753 0.000) 6.714 2.321 ( 0.977 -4.218 0.000) 4.330 2.323 ( 2.449 1.852 0.000) 3.071 2.426 ( 3.227 2.664 0.000) 4.184 2.430 ( 5.861 -2.236 0.000) 6.273 2.513 ( 0.622 5.148 0.000) 5.185 2.563 ( 1.928 0.089 0.000) 1.930 2.615 ( 0.931 4.262 0.000) 4.362 2.666 ( 0.874 -3.791 0.000) 3.891 2.703 ( 0.658 8.503 0.000) 8.529 2.786 ( 2.875 3.162 0.000) 4.274 2.890 ( -1.621 2.971 0.000) 3.384 2.901 ( 0.940 -2.072 0.000) 2.275 3.067 ( -5.625 0.429 0.000) 5.641 3.199 ( -6.538 1.569 0.000) 6.724 3.229 ( 3.830 0.078 0.000) 3.831 3.278 ( 1.681 -0.138 0.000) 1.687 3.343 ( -5.220 -2.257 0.000) 5.687 3.388 ( -2.246 1.364 0.000) 2.628 3.486 ( -1.416 -0.584 0.000) 1.532 3.511 ( -4.851 -0.979 0.000) 4.949 3.586 ( 2.736 1.564 0.000) 3.152 3.682 ( 0.044 -4.656 0.000) 4.656 3.699 ( -1.185 0.490 0.000) 1.283 3.718 ( -4.129 -1.688 0.000) 4.461 4.012 ( 0.878 4.149 0.000) 4.241 4.071 ( 0.912 8.192 0.000) 8.243 4.115 ( 0.294 5.928 0.000) 5.935 4.157 ( -0.284 1.198 0.000) 1.231 4.304 ( 1.207 0.665 0.000) 1.378 4.305 ( 1.446 1.941 0.000) 2.421 4.571 ( 8.720 -9.139 0.000) 12.632 4.953 ( -5.979 -16.197 0.000) 17.265 7.267 ( 2.338 -0.231 0.000) 2.350 7.342 ( -0.746 -0.534 0.000) 0.917 7.351 ( 4.092 -3.202 0.000) 5.196 7.447 ( -0.373 -3.271 0.000) 3.292 7.558 ( 1.868 5.325 0.000) 5.643 7.610 ( 1.009 5.275 0.000) 5.370 7.681 ( -0.310 2.118 0.000) 2.141 7.697 ( -2.890 1.174 0.000) 3.120 10.686 ( 0.370 -0.512 0.000) 0.632 10.730 ( 0.932 -2.104 0.000) 2.301 10.734 ( -2.120 0.170 0.000) 2.127 10.813 ( -2.253 -2.384 0.000) 3.280 10.884 ( 0.342 0.133 0.000) 0.366 10.936 ( -1.874 0.514 0.000) 1.943 10.937 ( 0.107 -1.397 0.000) 1.401 11.005 ( -2.745 -1.531 0.000) 3.143 11.088 ( 0.332 2.759 0.000) 2.779 11.155 ( 0.917 0.827 0.000) 1.235 11.212 ( -2.835 3.324 0.000) 4.369 11.228 ( -3.609 2.939 0.000) 4.654 16.088 ( 0.350 0.180 0.000) 0.394 16.090 ( 0.220 -0.200 0.000) 0.297 16.123 ( 0.614 -0.846 0.000) 1.045 16.123 ( 0.628 -1.200 0.000) 1.355 23.413 ( 0.701 2.001 0.000) 2.120 23.450 ( -0.510 0.936 0.000) 1.066 23.620 ( 0.920 -3.987 0.000) 4.091 23.680 ( -2.635 -5.598 0.000) 6.187 24.017 ( 1.706 4.362 0.000) 4.684 24.123 ( 6.395 2.565 0.000) 6.890 24.162 ( -3.724 6.322 0.000) 7.337 24.587 ( -9.503 -5.985 0.000) 11.230 24.794 ( 5.910 1.843 0.000) 6.191 24.798 ( 3.404 8.818 0.000) 9.452 25.118 ( 9.555 -7.163 0.000) 11.942 25.411 ( -3.253 -8.691 0.000) 9.280 ======================= Grid point 24 (16/60) ======================= q-point: (-0.50 0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( -7.123 6.578 0.000) 9.696 1.440 ( 7.123 6.578 0.000) 9.696 1.530 ( -5.390 5.482 0.000) 7.688 1.530 ( 5.390 5.482 0.000) 7.688 1.726 ( -0.423 0.065 0.000) 0.428 1.726 ( 0.423 0.065 0.000) 0.428 1.913 ( -0.765 -1.452 0.000) 1.641 1.913 ( 0.765 -1.452 0.000) 1.641 1.961 ( -0.526 2.427 0.000) 2.484 1.961 ( 0.526 2.427 0.000) 2.484 2.096 ( -0.339 3.971 0.000) 3.985 2.096 ( 0.339 3.971 0.000) 3.985 2.167 ( -1.302 2.529 0.000) 2.844 2.167 ( 1.302 2.529 0.000) 2.844 2.249 ( -1.905 4.504 0.000) 4.891 2.249 ( 1.905 4.504 0.000) 4.891 2.327 ( -0.102 -3.854 0.000) 3.855 2.327 ( 0.102 -3.854 0.000) 3.855 2.521 ( -0.373 0.548 0.000) 0.663 2.521 ( 0.373 0.548 0.000) 0.663 2.541 ( -2.175 -1.605 0.000) 2.703 2.541 ( 2.175 -1.605 0.000) 2.703 2.667 ( -1.774 1.038 0.000) 2.055 2.667 ( 1.774 1.038 0.000) 2.055 2.758 ( -3.739 6.419 0.000) 7.428 2.758 ( 3.739 6.419 0.000) 7.428 2.903 ( -4.338 5.446 0.000) 6.963 2.903 ( 4.338 5.446 0.000) 6.963 3.050 ( -7.110 4.905 0.000) 8.638 3.050 ( 7.110 4.905 0.000) 8.638 3.274 ( -0.415 -0.420 0.000) 0.591 3.274 ( 0.415 -0.420 0.000) 0.591 3.338 ( -4.331 -2.149 0.000) 4.835 3.338 ( 4.331 -2.149 0.000) 4.835 3.449 ( -1.193 -0.814 0.000) 1.444 3.449 ( 1.193 -0.814 0.000) 1.444 3.647 ( -2.685 0.041 0.000) 2.686 3.647 ( 2.685 0.041 0.000) 2.686 3.685 ( -0.424 -4.023 0.000) 4.045 3.685 ( 0.424 -4.023 0.000) 4.045 4.049 ( -2.052 5.214 0.000) 5.603 4.049 ( 2.052 5.214 0.000) 5.603 4.138 ( -1.294 4.736 0.000) 4.910 4.138 ( 1.294 4.736 0.000) 4.910 4.320 ( -0.093 1.637 0.000) 1.640 4.320 ( 0.093 1.637 0.000) 1.640 4.777 ( -9.570 -13.025 0.000) 16.163 4.777 ( 9.570 -13.025 0.000) 16.163 7.314 ( -1.860 -0.456 0.000) 1.915 7.314 ( 1.860 -0.456 0.000) 1.915 7.420 ( -2.170 -3.373 0.000) 4.010 7.420 ( 2.170 -3.373 0.000) 4.010 7.611 ( -2.405 4.169 0.000) 4.813 7.611 ( 2.405 4.169 0.000) 4.813 7.660 ( -0.896 3.112 0.000) 3.238 7.660 ( 0.896 3.112 0.000) 3.238 10.699 ( -1.019 -0.320 0.000) 1.068 10.699 ( 1.019 -0.320 0.000) 1.068 10.762 ( -2.040 -2.353 0.000) 3.114 10.762 ( 2.040 -2.353 0.000) 3.114 10.905 ( -1.142 0.084 0.000) 1.146 10.905 ( 1.142 0.084 0.000) 1.146 10.951 ( -1.668 -1.178 0.000) 2.042 10.951 ( 1.668 -1.178 0.000) 2.042 11.135 ( -3.461 2.890 0.000) 4.509 11.135 ( 3.461 2.890 0.000) 4.509 11.180 ( -1.389 1.797 0.000) 2.272 11.180 ( 1.389 1.797 0.000) 2.272 16.093 ( -0.049 0.052 0.000) 0.071 16.093 ( 0.049 0.052 0.000) 0.071 16.130 ( -0.008 -1.074 0.000) 1.074 16.130 ( 0.008 -1.074 0.000) 1.074 23.434 ( -0.985 1.500 0.000) 1.795 23.434 ( 0.985 1.500 0.000) 1.795 23.639 ( -1.201 -4.468 0.000) 4.627 23.639 ( 1.201 -4.468 0.000) 4.627 24.078 ( -3.681 5.648 0.000) 6.741 24.078 ( 3.681 5.648 0.000) 6.741 24.330 ( -11.912 0.418 0.000) 11.919 24.330 ( 11.912 0.418 0.000) 11.919 24.858 ( -0.277 2.901 0.000) 2.914 24.858 ( 0.277 2.901 0.000) 2.914 25.303 ( -6.936 -7.967 0.000) 10.564 25.303 ( 6.936 -7.967 0.000) 10.564 ======================= Grid point 28 (17/60) ======================= q-point: ( 0.00 0.44 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 0.000 11.854 0.000) 11.854 1.428 ( 0.000 10.858 0.000) 10.858 1.512 ( 0.000 -8.205 0.000) 8.205 1.519 ( 0.000 0.142 0.000) 0.142 1.579 ( 0.000 3.392 0.000) 3.392 1.701 ( 0.000 -7.750 0.000) 7.750 1.848 ( 0.000 3.184 0.000) 3.184 1.892 ( 0.000 0.047 0.000) 0.047 1.935 ( 0.000 5.149 0.000) 5.149 1.975 ( 0.000 3.584 0.000) 3.584 2.013 ( 0.000 5.034 0.000) 5.034 2.048 ( 0.000 -5.187 0.000) 5.187 2.078 ( 0.000 -6.712 0.000) 6.712 2.091 ( 0.000 5.595 0.000) 5.595 2.132 ( 0.000 -6.304 0.000) 6.304 2.173 ( 0.000 -2.917 0.000) 2.917 2.343 ( 0.000 5.430 0.000) 5.430 2.360 ( 0.000 3.473 0.000) 3.473 2.530 ( 0.000 4.088 0.000) 4.088 2.553 ( 0.000 1.625 0.000) 1.625 2.567 ( 0.000 4.281 0.000) 4.281 2.573 ( 0.000 -2.238 0.000) 2.238 2.589 ( 0.000 -0.703 0.000) 0.703 2.621 ( 0.000 -6.405 0.000) 6.405 2.690 ( 0.000 10.170 0.000) 10.170 2.800 ( 0.000 6.323 0.000) 6.323 2.856 ( 0.000 7.014 0.000) 7.014 2.903 ( 0.000 -8.429 0.000) 8.429 2.986 ( 0.000 -6.432 0.000) 6.432 3.090 ( 0.000 -10.607 0.000) 10.607 3.228 ( 0.000 1.200 0.000) 1.200 3.281 ( 0.000 -4.566 0.000) 4.566 3.540 ( 0.000 2.383 0.000) 2.383 3.560 ( 0.000 0.419 0.000) 0.419 3.570 ( 0.000 0.587 0.000) 0.587 3.594 ( 0.000 -2.445 0.000) 2.445 3.665 ( 0.000 2.675 0.000) 2.675 3.671 ( 0.000 2.455 0.000) 2.455 3.781 ( 0.000 0.575 0.000) 0.575 3.794 ( 0.000 -0.394 0.000) 0.394 4.086 ( 0.000 2.847 0.000) 2.847 4.088 ( 0.000 2.295 0.000) 2.295 4.106 ( 0.000 0.850 0.000) 0.850 4.150 ( 0.000 -2.187 0.000) 2.187 4.329 ( 0.000 13.730 0.000) 13.730 4.344 ( 0.000 1.921 0.000) 1.921 4.360 ( 0.000 0.090 0.000) 0.090 4.666 ( 0.000 -18.867 0.000) 18.867 7.193 ( 0.000 0.261 0.000) 0.261 7.204 ( 0.000 -0.971 0.000) 0.971 7.351 ( 0.000 0.526 0.000) 0.526 7.378 ( 0.000 -2.247 0.000) 2.247 7.615 ( 0.000 3.332 0.000) 3.332 7.655 ( 0.000 -0.757 0.000) 0.757 7.696 ( 0.000 4.030 0.000) 4.030 7.750 ( 0.000 -1.763 0.000) 1.763 10.671 ( 0.000 0.286 0.000) 0.286 10.685 ( 0.000 -1.158 0.000) 1.158 10.802 ( 0.000 0.608 0.000) 0.608 10.815 ( 0.000 -0.718 0.000) 0.718 10.908 ( 0.000 -0.542 0.000) 0.542 10.908 ( 0.000 -0.470 0.000) 0.470 11.020 ( 0.000 1.195 0.000) 1.195 11.045 ( 0.000 -1.270 0.000) 1.270 11.171 ( 0.000 1.059 0.000) 1.059 11.180 ( 0.000 0.073 0.000) 0.073 11.365 ( 0.000 1.986 0.000) 1.986 11.377 ( 0.000 0.836 0.000) 0.836 16.078 ( 0.000 -0.318 0.000) 0.318 16.079 ( 0.000 -0.384 0.000) 0.384 16.081 ( 0.000 0.302 0.000) 0.302 16.088 ( 0.000 -0.451 0.000) 0.451 23.465 ( 0.000 0.873 0.000) 0.873 23.498 ( 0.000 -2.560 0.000) 2.560 23.503 ( 0.000 6.173 0.000) 6.173 23.641 ( 0.000 -7.978 0.000) 7.978 24.113 ( 0.000 2.847 0.000) 2.847 24.133 ( 0.000 0.896 0.000) 0.896 24.300 ( 0.000 2.105 0.000) 2.105 24.359 ( 0.000 -3.951 0.000) 3.951 24.577 ( 0.000 4.484 0.000) 4.484 24.687 ( 0.000 -7.154 0.000) 7.154 25.147 ( 0.000 10.501 0.000) 10.501 25.334 ( 0.000 -8.841 0.000) 8.841 ======================= Grid point 29 (18/60) ======================= q-point: ( 0.17 0.44 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( 4.296 10.067 0.000) 10.946 1.441 ( 1.979 13.095 0.000) 13.244 1.527 ( 1.338 -6.447 0.000) 6.585 1.576 ( 1.951 1.327 0.000) 2.360 1.609 ( 4.613 -1.069 0.000) 4.735 1.699 ( 0.303 -8.748 0.000) 8.753 1.810 ( -1.910 3.401 0.000) 3.900 1.873 ( -1.201 -2.903 0.000) 3.142 1.989 ( 2.500 5.606 0.000) 6.138 2.019 ( 2.481 4.057 0.000) 4.756 2.034 ( 3.835 3.254 0.000) 5.029 2.097 ( 2.042 -0.984 0.000) 2.267 2.134 ( 2.845 0.927 0.000) 2.993 2.149 ( 2.115 -4.457 0.000) 4.934 2.172 ( 6.416 -4.838 0.000) 8.036 2.198 ( 2.754 -2.802 0.000) 3.929 2.343 ( 1.364 7.142 0.000) 7.271 2.401 ( 2.454 4.238 0.000) 4.897 2.448 ( -5.269 4.517 0.000) 6.940 2.492 ( -4.382 -0.375 0.000) 4.398 2.556 ( 1.387 4.586 0.000) 4.791 2.559 ( -1.779 -3.437 0.000) 3.870 2.604 ( -2.473 -3.611 0.000) 4.376 2.622 ( 0.868 -1.635 0.000) 1.851 2.785 ( 3.029 5.913 0.000) 6.644 2.788 ( 6.093 10.013 0.000) 11.721 2.864 ( -1.276 0.180 0.000) 1.288 2.944 ( 2.075 -4.524 0.000) 4.977 3.005 ( 2.537 -2.442 0.000) 3.521 3.104 ( 1.024 -8.429 0.000) 8.491 3.203 ( -0.996 -0.044 0.000) 0.997 3.248 ( -2.801 -4.657 0.000) 5.434 3.482 ( -4.307 2.018 0.000) 4.756 3.512 ( -2.759 -0.776 0.000) 2.866 3.570 ( -6.028 3.600 0.000) 7.021 3.583 ( 0.823 1.663 0.000) 1.855 3.601 ( -4.894 -0.149 0.000) 4.897 3.616 ( 0.576 -2.130 0.000) 2.206 3.772 ( -1.800 1.909 0.000) 2.623 3.796 ( -2.164 -0.600 0.000) 2.246 4.085 ( -0.359 2.320 0.000) 2.347 4.133 ( -0.224 -1.675 0.000) 1.690 4.134 ( 3.567 3.387 0.000) 4.919 4.158 ( 3.646 0.986 0.000) 3.777 4.328 ( -0.949 2.351 0.000) 2.536 4.366 ( 0.737 -1.958 0.000) 2.092 4.369 ( 2.867 12.675 0.000) 12.996 4.680 ( 0.522 -18.036 0.000) 18.043 7.219 ( 2.137 0.367 0.000) 2.169 7.234 ( 2.522 -1.211 0.000) 2.798 7.351 ( -0.049 0.743 0.000) 0.744 7.383 ( 0.314 -2.548 0.000) 2.568 7.622 ( 0.728 3.723 0.000) 3.793 7.670 ( 1.144 -1.206 0.000) 1.662 7.692 ( -0.273 3.755 0.000) 3.765 7.739 ( -0.963 -1.317 0.000) 1.631 10.674 ( 0.326 0.276 0.000) 0.428 10.688 ( 0.303 -1.151 0.000) 1.190 10.790 ( -1.261 0.892 0.000) 1.544 10.810 ( -0.703 -1.184 0.000) 1.377 10.899 ( -0.692 0.131 0.000) 0.704 10.909 ( 0.088 -0.884 0.000) 0.888 10.999 ( -1.848 1.261 0.000) 2.237 11.025 ( -1.751 -1.482 0.000) 2.295 11.150 ( -1.756 1.004 0.000) 2.022 11.159 ( -0.932 0.157 0.000) 0.945 11.331 ( -2.825 1.986 0.000) 3.453 11.343 ( -2.914 0.790 0.000) 3.020 16.081 ( 0.381 0.031 0.000) 0.382 16.086 ( 0.401 0.416 0.000) 0.578 16.088 ( 0.661 -0.692 0.000) 0.957 16.095 ( 0.565 -0.587 0.000) 0.814 23.472 ( 0.596 1.555 0.000) 1.665 23.487 ( -1.079 5.505 0.000) 5.610 23.517 ( 1.479 -3.155 0.000) 3.484 23.611 ( -2.209 -7.318 0.000) 7.644 24.082 ( -1.655 2.656 0.000) 3.129 24.105 ( -1.129 0.423 0.000) 1.206 24.309 ( 0.563 4.946 0.000) 4.978 24.422 ( 3.614 -6.994 0.000) 7.872 24.688 ( 8.342 4.259 0.000) 9.366 24.788 ( 8.199 -6.363 0.000) 10.378 25.095 ( -4.050 11.701 0.000) 12.382 25.299 ( -2.779 -9.628 0.000) 10.021 ======================= Grid point 30 (19/60) ======================= q-point: ( 0.33 0.44 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 5.590 5.692 0.000) 7.977 1.503 ( 2.983 11.055 0.000) 11.451 1.560 ( 1.315 -2.142 0.000) 2.513 1.606 ( 0.802 0.904 0.000) 1.209 1.695 ( 2.722 -1.519 0.000) 3.118 1.764 ( 5.379 -7.713 0.000) 9.404 1.773 ( -1.335 4.165 0.000) 4.374 1.867 ( 0.312 -4.823 0.000) 4.833 2.029 ( 1.549 5.679 0.000) 5.886 2.048 ( 0.556 4.997 0.000) 5.028 2.113 ( 2.251 0.462 0.000) 2.298 2.129 ( 0.686 -2.912 0.000) 2.992 2.176 ( 0.043 4.649 0.000) 4.650 2.197 ( 1.786 -1.015 0.000) 2.054 2.240 ( -0.104 -2.828 0.000) 2.829 2.264 ( 1.406 -3.441 0.000) 3.717 2.375 ( -1.474 2.976 0.000) 3.321 2.381 ( -2.125 5.176 0.000) 5.595 2.420 ( -0.596 -1.954 0.000) 2.043 2.450 ( 5.397 7.073 0.000) 8.897 2.503 ( -3.309 -6.561 0.000) 7.348 2.583 ( 2.191 -4.571 0.000) 5.069 2.587 ( 0.635 2.824 0.000) 2.894 2.638 ( 0.908 -1.471 0.000) 1.729 2.854 ( 1.164 4.717 0.000) 4.859 2.889 ( 2.099 7.791 0.000) 8.069 2.936 ( 8.246 0.711 0.000) 8.277 2.939 ( -1.236 1.514 0.000) 1.955 3.046 ( 0.861 1.319 0.000) 1.575 3.154 ( 4.379 -6.572 0.000) 7.897 3.195 ( -0.744 -0.461 0.000) 0.875 3.237 ( 2.937 -3.613 0.000) 4.656 3.382 ( -4.433 4.378 0.000) 6.231 3.446 ( -5.394 3.355 0.000) 6.352 3.455 ( -2.555 -2.826 0.000) 3.810 3.487 ( -5.806 -1.333 0.000) 5.957 3.604 ( 1.157 0.496 0.000) 1.259 3.620 ( 0.067 -1.728 0.000) 1.730 3.699 ( -4.831 0.056 0.000) 4.831 3.707 ( -3.887 -0.350 0.000) 3.902 4.092 ( 1.334 3.882 0.000) 4.105 4.149 ( 1.232 -1.871 0.000) 2.240 4.184 ( -0.610 3.418 0.000) 3.472 4.196 ( 0.023 2.104 0.000) 2.104 4.339 ( 2.311 3.071 0.000) 3.843 4.415 ( 0.765 9.845 0.000) 9.874 4.425 ( 5.092 -6.126 0.000) 7.966 4.656 ( -3.008 -14.806 0.000) 15.108 7.271 ( 2.460 0.801 0.000) 2.588 7.299 ( 3.123 -2.129 0.000) 3.779 7.345 ( -0.663 1.023 0.000) 1.219 7.383 ( -0.478 -2.944 0.000) 2.983 7.646 ( 1.383 3.702 0.000) 3.951 7.688 ( -0.025 2.744 0.000) 2.744 7.692 ( 0.672 -0.992 0.000) 1.199 7.713 ( -1.352 0.039 0.000) 1.352 10.684 ( 0.552 0.347 0.000) 0.652 10.699 ( 0.729 -1.221 0.000) 1.422 10.746 ( -2.436 1.085 0.000) 2.667 10.774 ( -2.447 -1.784 0.000) 3.028 10.893 ( 0.356 0.763 0.000) 0.842 10.912 ( 0.274 -1.210 0.000) 1.241 10.951 ( -2.238 1.076 0.000) 2.483 10.976 ( -2.559 -1.473 0.000) 2.953 11.134 ( 0.764 1.950 0.000) 2.095 11.158 ( 0.996 -0.566 0.000) 1.145 11.259 ( -3.581 1.513 0.000) 3.888 11.265 ( -3.739 0.903 0.000) 3.847 16.091 ( 0.461 0.329 0.000) 0.567 16.095 ( 0.346 0.529 0.000) 0.632 16.103 ( 0.609 -0.878 0.000) 1.068 16.107 ( 0.435 -0.777 0.000) 0.890 23.472 ( -0.103 4.231 0.000) 4.232 23.483 ( 0.195 2.542 0.000) 2.550 23.544 ( 0.756 -3.798 0.000) 3.873 23.569 ( -1.373 -5.788 0.000) 5.949 24.088 ( 2.465 3.069 0.000) 3.937 24.131 ( 4.134 -1.282 0.000) 4.329 24.284 ( -3.390 6.782 0.000) 7.582 24.428 ( -4.097 -8.491 0.000) 9.428 24.868 ( 7.298 5.491 0.000) 9.133 24.986 ( 8.957 -6.699 0.000) 11.185 25.021 ( -2.034 12.172 0.000) 12.341 25.234 ( -3.141 -10.208 0.000) 10.680 ======================= Grid point 31 (20/60) ======================= q-point: (-0.50 0.44 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( -0.780 4.297 0.000) 4.367 1.549 ( 0.780 4.297 0.000) 4.367 1.593 ( -1.999 0.228 0.000) 2.012 1.593 ( 1.999 0.228 0.000) 2.012 1.750 ( -1.508 3.982 0.000) 4.259 1.750 ( 1.508 3.982 0.000) 4.259 1.853 ( -2.281 -5.139 0.000) 5.622 1.853 ( 2.281 -5.139 0.000) 5.622 2.050 ( -0.360 6.135 0.000) 6.145 2.050 ( 0.360 6.135 0.000) 6.145 2.133 ( -0.348 -1.253 0.000) 1.301 2.133 ( 0.348 -1.253 0.000) 1.301 2.186 ( -2.093 2.006 0.000) 2.899 2.186 ( 2.093 2.006 0.000) 2.899 2.245 ( -1.657 -4.360 0.000) 4.664 2.245 ( 1.657 -4.360 0.000) 4.664 2.357 ( -0.222 4.687 0.000) 4.692 2.357 ( 0.222 4.687 0.000) 4.692 2.447 ( -1.646 -5.392 0.000) 5.637 2.447 ( 1.646 -5.392 0.000) 5.637 2.557 ( -3.493 3.532 0.000) 4.967 2.557 ( 3.493 3.532 0.000) 4.967 2.639 ( -1.597 -3.805 0.000) 4.126 2.639 ( 1.597 -3.805 0.000) 4.126 2.878 ( -0.977 6.438 0.000) 6.511 2.878 ( 0.977 6.438 0.000) 6.511 2.966 ( -2.493 -1.198 0.000) 2.766 2.966 ( 2.493 -1.198 0.000) 2.766 3.175 ( -5.865 6.070 0.000) 8.441 3.175 ( 5.865 6.070 0.000) 8.441 3.240 ( -1.870 -2.072 0.000) 2.791 3.240 ( 1.870 -2.072 0.000) 2.791 3.344 ( -2.975 2.349 0.000) 3.791 3.344 ( 2.975 2.349 0.000) 3.791 3.408 ( -0.773 -3.383 0.000) 3.471 3.408 ( 0.773 -3.383 0.000) 3.471 3.630 ( -1.354 -0.854 0.000) 1.601 3.630 ( 1.354 -0.854 0.000) 1.601 3.639 ( -2.259 -1.210 0.000) 2.563 3.639 ( 2.259 -1.210 0.000) 2.563 4.137 ( -2.547 3.765 0.000) 4.546 4.137 ( 2.547 3.765 0.000) 4.546 4.179 ( -1.366 -0.309 0.000) 1.401 4.179 ( 1.366 -0.309 0.000) 1.401 4.397 ( -2.217 6.324 0.000) 6.701 4.397 ( 2.217 6.324 0.000) 6.701 4.554 ( -5.974 -10.202 0.000) 11.822 4.554 ( 5.974 -10.202 0.000) 11.822 7.319 ( -1.781 1.080 0.000) 2.083 7.319 ( 1.781 1.080 0.000) 2.083 7.357 ( -2.021 -2.890 0.000) 3.527 7.357 ( 2.021 -2.890 0.000) 3.527 7.677 ( -1.324 2.473 0.000) 2.806 7.677 ( 1.324 2.473 0.000) 2.806 7.697 ( -0.018 0.475 0.000) 0.475 7.697 ( 0.018 0.475 0.000) 0.475 10.703 ( -1.378 0.725 0.000) 1.557 10.703 ( 1.378 0.725 0.000) 1.557 10.725 ( -1.770 -1.560 0.000) 2.360 10.725 ( 1.770 -1.560 0.000) 2.360 10.912 ( -1.326 0.675 0.000) 1.488 10.912 ( 1.326 0.675 0.000) 1.488 10.929 ( -1.491 -1.103 0.000) 1.855 10.929 ( 1.491 -1.103 0.000) 1.855 11.181 ( -3.243 1.783 0.000) 3.700 11.181 ( 3.243 1.783 0.000) 3.700 11.198 ( -2.530 0.023 0.000) 2.530 11.198 ( 2.530 0.023 0.000) 2.530 16.098 ( -0.090 0.499 0.000) 0.507 16.098 ( 0.090 0.499 0.000) 0.507 16.111 ( -0.109 -0.889 0.000) 0.896 16.111 ( 0.109 -0.889 0.000) 0.896 23.479 ( -0.465 3.244 0.000) 3.278 23.479 ( 0.465 3.244 0.000) 3.278 23.553 ( -0.313 -4.434 0.000) 4.445 23.553 ( 0.313 -4.434 0.000) 4.445 24.179 ( -5.361 5.196 0.000) 7.466 24.179 ( 5.361 5.196 0.000) 7.466 24.276 ( -8.262 -4.805 0.000) 9.558 24.276 ( 8.262 -4.805 0.000) 9.558 24.980 ( -2.942 8.542 0.000) 9.034 24.980 ( 2.942 8.542 0.000) 9.034 25.146 ( -5.537 -8.616 0.000) 10.241 25.146 ( 5.537 -8.616 0.000) 10.241 ======================= Grid point 63 (21/60) ======================= q-point: ( 0.00 0.00 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.365 ( 0.000 0.000 18.313) 18.313 0.410 ( 0.000 0.000 20.488) 20.488 0.682 ( 0.000 0.000 33.246) 33.246 1.269 ( 0.000 0.000 -10.730) 10.730 1.342 ( 0.000 0.000 -6.907) 6.907 1.661 ( 0.000 0.000 3.135) 3.135 1.662 ( 0.000 0.000 2.115) 2.115 1.713 ( 0.000 0.000 1.021) 1.021 1.793 ( 0.000 0.000 -4.928) 4.928 1.872 ( 0.000 0.000 2.681) 2.681 1.917 ( 0.000 0.000 0.675) 0.675 1.951 ( 0.000 0.000 4.437) 4.437 1.964 ( 0.000 0.000 4.043) 4.043 1.999 ( 0.000 0.000 2.559) 2.559 2.180 ( 0.000 0.000 -0.884) 0.884 2.199 ( 0.000 0.000 1.149) 1.149 2.238 ( 0.000 0.000 -2.446) 2.446 2.354 ( 0.000 0.000 -1.261) 1.261 2.360 ( 0.000 0.000 -3.803) 3.803 2.379 ( 0.000 0.000 -0.454) 0.454 2.465 ( 0.000 0.000 -0.307) 0.307 2.468 ( 0.000 0.000 -7.940) 7.940 2.477 ( 0.000 0.000 3.910) 3.910 2.483 ( 0.000 0.000 -1.596) 1.596 2.614 ( 0.000 0.000 -4.720) 4.720 2.834 ( 0.000 0.000 0.019) 0.019 2.844 ( 0.000 0.000 -0.091) 0.091 2.877 ( 0.000 0.000 -2.065) 2.065 3.114 ( 0.000 0.000 -3.659) 3.659 3.276 ( 0.000 0.000 -2.151) 2.151 3.281 ( 0.000 0.000 0.659) 0.659 3.346 ( 0.000 0.000 -0.905) 0.905 3.377 ( 0.000 0.000 -0.958) 0.958 3.433 ( 0.000 0.000 0.441) 0.441 3.498 ( 0.000 0.000 1.203) 1.203 3.536 ( 0.000 0.000 7.727) 7.727 3.556 ( 0.000 0.000 1.162) 1.162 3.661 ( 0.000 0.000 -3.236) 3.236 3.727 ( 0.000 0.000 0.989) 0.989 3.761 ( 0.000 0.000 -1.817) 1.817 3.772 ( 0.000 0.000 0.507) 0.507 3.968 ( 0.000 0.000 -5.048) 5.048 4.067 ( 0.000 0.000 0.659) 0.659 4.097 ( 0.000 0.000 1.110) 1.110 4.201 ( 0.000 0.000 1.258) 1.258 4.429 ( 0.000 0.000 -5.590) 5.590 4.844 ( 0.000 0.000 13.951) 13.951 5.582 ( 0.000 0.000 -6.437) 6.437 7.233 ( 0.000 0.000 0.536) 0.536 7.270 ( 0.000 0.000 1.058) 1.058 7.273 ( 0.000 0.000 -0.398) 0.398 7.351 ( 0.000 0.000 -0.665) 0.665 7.442 ( 0.000 0.000 0.815) 0.815 7.508 ( 0.000 0.000 -0.736) 0.736 7.559 ( 0.000 0.000 2.722) 2.722 7.761 ( 0.000 0.000 -1.916) 1.916 10.761 ( 0.000 0.000 -1.355) 1.355 10.768 ( 0.000 0.000 -1.401) 1.401 10.845 ( 0.000 0.000 0.863) 0.863 10.849 ( 0.000 0.000 0.857) 0.857 10.898 ( 0.000 0.000 0.347) 0.347 10.926 ( 0.000 0.000 -0.305) 0.305 11.018 ( 0.000 0.000 0.184) 0.184 11.033 ( 0.000 0.000 -0.180) 0.180 11.056 ( 0.000 0.000 -0.601) 0.601 11.068 ( 0.000 0.000 -2.036) 2.036 11.186 ( 0.000 0.000 2.873) 2.873 11.268 ( 0.000 0.000 0.024) 0.024 16.087 ( 0.000 0.000 0.391) 0.391 16.114 ( 0.000 0.000 -0.028) 0.028 16.125 ( 0.000 0.000 -0.156) 0.156 16.135 ( 0.000 0.000 -0.174) 0.174 23.410 ( 0.000 0.000 3.327) 3.327 23.704 ( 0.000 0.000 -3.893) 3.893 23.779 ( 0.000 0.000 0.029) 0.029 23.779 ( 0.000 0.000 0.015) 0.015 23.827 ( 0.000 0.000 0.134) 0.134 23.842 ( 0.000 0.000 -0.223) 0.223 24.135 ( 0.000 0.000 2.738) 2.738 24.391 ( 0.000 0.000 -5.317) 5.317 24.705 ( 0.000 0.000 7.387) 7.387 25.071 ( 0.000 0.000 0.316) 0.316 25.160 ( 0.000 0.000 -2.116) 2.116 25.303 ( 0.000 0.000 -2.222) 2.222 ======================= Grid point 64 (22/60) ======================= q-point: ( 0.17 0.00 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( 14.473 0.000 10.316) 17.774 0.588 ( 16.246 0.000 11.073) 19.660 1.098 ( 27.839 0.000 21.023) 34.885 1.307 ( 3.087 0.000 -8.169) 8.733 1.367 ( 2.319 0.000 -6.257) 6.673 1.635 ( -1.321 0.000 1.090) 1.713 1.675 ( 1.265 0.000 1.489) 1.954 1.752 ( 2.106 0.000 -0.245) 2.120 1.796 ( -0.416 0.000 -3.136) 3.163 1.913 ( 3.507 0.000 3.746) 5.131 1.922 ( -1.931 0.000 3.469) 3.970 1.932 ( 0.661 0.000 1.597) 1.728 1.984 ( 1.041 0.000 4.059) 4.190 2.076 ( 5.925 0.000 1.155) 6.036 2.128 ( -5.510 0.000 1.312) 5.664 2.164 ( -2.151 0.000 -1.641) 2.705 2.222 ( -6.600 0.000 -0.303) 6.607 2.248 ( -3.137 0.000 1.059) 3.311 2.300 ( 3.969 0.000 -1.636) 4.293 2.396 ( 0.724 0.000 -1.959) 2.089 2.404 ( -2.637 0.000 3.331) 4.248 2.440 ( -2.510 0.000 -2.206) 3.342 2.510 ( 1.125 0.000 -1.628) 1.978 2.553 ( 1.355 0.000 -7.912) 8.028 2.640 ( 1.803 0.000 -4.757) 5.087 2.848 ( 1.422 0.000 0.335) 1.461 2.869 ( 1.855 0.000 0.099) 1.857 2.884 ( -0.957 0.000 -4.170) 4.279 3.149 ( 3.163 0.000 2.425) 3.986 3.236 ( -5.137 0.000 -0.883) 5.212 3.266 ( -1.259 0.000 0.041) 1.260 3.273 ( -2.060 0.000 -0.166) 2.067 3.318 ( -2.248 0.000 -1.205) 2.551 3.431 ( -3.568 0.000 -0.053) 3.569 3.513 ( 1.411 0.000 1.721) 2.225 3.526 ( -2.143 0.000 3.334) 3.963 3.599 ( 5.269 0.000 4.821) 7.142 3.678 ( 0.936 0.000 -2.582) 2.747 3.710 ( -9.088 0.000 4.866) 10.309 3.718 ( -0.435 0.000 0.836) 0.942 3.772 ( -0.087 0.000 0.156) 0.179 3.785 ( 0.040 0.000 -1.816) 1.817 3.989 ( -3.210 0.000 0.112) 3.212 4.089 ( -4.715 0.000 -1.356) 4.906 4.265 ( 3.685 0.000 0.454) 3.713 4.592 ( 12.174 0.000 -3.930) 12.793 4.758 ( -3.405 0.000 14.916) 15.300 5.685 ( -0.873 0.000 -16.023) 16.047 7.244 ( 0.974 0.000 0.549) 1.117 7.284 ( 1.357 0.000 1.910) 2.343 7.285 ( 1.045 0.000 -0.410) 1.123 7.412 ( 4.359 0.000 -1.188) 4.518 7.430 ( -1.024 0.000 0.781) 1.288 7.494 ( -1.290 0.000 -0.708) 1.471 7.564 ( -0.387 0.000 4.077) 4.096 7.766 ( 0.093 0.000 -1.414) 1.418 10.747 ( -1.008 0.000 0.020) 1.008 10.773 ( 0.659 0.000 -1.288) 1.447 10.846 ( 0.005 0.000 0.685) 0.685 10.870 ( 1.530 0.000 0.498) 1.609 10.899 ( 0.130 0.000 0.306) 0.332 10.923 ( -0.225 0.000 -0.250) 0.336 11.020 ( 0.168 0.000 0.147) 0.223 11.033 ( -0.041 0.000 -0.159) 0.164 11.040 ( -2.269 0.000 -1.696) 2.832 11.063 ( -0.874 0.000 -3.726) 3.828 11.129 ( -3.414 0.000 2.065) 3.990 11.216 ( -4.391 0.000 -0.273) 4.399 16.087 ( 0.112 0.000 0.306) 0.326 16.112 ( -0.329 0.000 -0.301) 0.446 16.132 ( 1.060 0.000 0.276) 1.095 16.152 ( 1.006 0.000 -0.213) 1.028 23.406 ( 0.162 0.000 3.133) 3.137 23.652 ( -4.737 0.000 1.112) 4.866 23.781 ( 0.214 0.000 0.035) 0.217 23.783 ( 0.286 0.000 0.001) 0.286 23.812 ( -7.925 0.000 12.628) 14.908 23.825 ( -0.182 0.000 0.125) 0.220 23.839 ( -0.295 0.000 -0.204) 0.359 24.386 ( -3.994 0.000 -8.035) 8.973 24.754 ( 6.571 0.000 8.984) 11.131 25.087 ( 2.498 0.000 4.220) 4.904 25.205 ( 4.787 0.000 -4.004) 6.241 25.659 ( 9.426 0.000 -17.258) 19.664 ======================= Grid point 65 (23/60) ======================= q-point: ( 0.33 0.00 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( 17.887 0.000 1.320) 17.936 0.957 ( 16.669 0.000 6.308) 17.823 1.366 ( 0.802 0.000 -0.920) 1.221 1.397 ( -0.192 0.000 -5.338) 5.341 1.621 ( 0.424 0.000 -2.560) 2.595 1.661 ( 0.331 0.000 -3.419) 3.435 1.737 ( 22.083 0.000 9.407) 24.003 1.754 ( -0.846 0.000 -2.569) 2.705 1.769 ( -1.638 0.000 -2.307) 2.830 1.871 ( -1.809 0.000 2.470) 3.061 1.943 ( 1.021 0.000 5.547) 5.640 1.955 ( -4.528 0.000 3.552) 5.755 2.005 ( 3.766 0.000 3.290) 5.001 2.008 ( -2.466 0.000 3.743) 4.483 2.109 ( 0.215 0.000 -1.257) 1.276 2.155 ( -0.100 0.000 1.440) 1.444 2.227 ( 1.605 0.000 0.985) 1.883 2.241 ( 4.329 0.000 -1.604) 4.616 2.359 ( -4.570 0.000 -2.395) 5.159 2.361 ( 1.661 0.000 -0.029) 1.662 2.402 ( 1.661 0.000 -0.553) 1.751 2.421 ( 1.453 0.000 -1.119) 1.834 2.504 ( -1.481 0.000 -2.143) 2.605 2.565 ( 1.069 0.000 -2.421) 2.647 2.612 ( -3.996 0.000 -3.157) 5.092 2.889 ( 2.104 0.000 0.173) 2.111 2.911 ( 1.639 0.000 -0.101) 1.642 2.942 ( -9.145 0.000 1.051) 9.205 2.969 ( -0.393 0.000 -2.848) 2.875 3.215 ( 0.586 0.000 1.849) 1.940 3.234 ( -1.378 0.000 -0.449) 1.449 3.264 ( -2.437 0.000 -0.885) 2.593 3.286 ( 0.350 0.000 -4.143) 4.158 3.355 ( -2.571 0.000 -1.119) 2.804 3.527 ( 0.433 0.000 2.031) 2.077 3.556 ( 2.473 0.000 1.781) 3.048 3.571 ( -2.839 0.000 1.849) 3.388 3.665 ( -1.885 0.000 0.257) 1.902 3.688 ( 1.995 0.000 7.327) 7.593 3.733 ( 1.330 0.000 -1.173) 1.774 3.755 ( -2.321 0.000 0.628) 2.405 3.767 ( -0.308 0.000 -0.477) 0.568 3.966 ( -0.126 0.000 -0.797) 0.807 3.999 ( -2.052 0.000 -0.348) 2.081 4.355 ( 5.124 0.000 2.744) 5.812 4.641 ( -5.806 0.000 12.745) 14.006 4.918 ( 15.196 0.000 -8.004) 17.175 5.539 ( -11.030 0.000 -12.847) 16.932 7.273 ( 1.655 0.000 0.553) 1.745 7.311 ( 1.034 0.000 -0.286) 1.073 7.329 ( 2.695 0.000 2.699) 3.814 7.405 ( -0.906 0.000 0.535) 1.053 7.456 ( -2.079 0.000 -0.604) 2.165 7.456 ( -1.521 0.000 0.723) 1.684 7.594 ( 4.215 0.000 2.908) 5.121 7.752 ( -1.614 0.000 -0.669) 1.747 10.737 ( 0.112 0.000 0.600) 0.610 10.776 ( -0.559 0.000 -0.271) 0.622 10.857 ( 1.139 0.000 -0.772) 1.376 10.900 ( 1.018 0.000 -0.257) 1.050 10.903 ( 0.245 0.000 0.195) 0.313 10.917 ( -0.332 0.000 -0.117) 0.352 10.984 ( -2.375 0.000 0.456) 2.418 11.015 ( -2.523 0.000 -3.468) 4.288 11.024 ( 0.219 0.000 0.064) 0.228 11.032 ( -0.100 0.000 -0.102) 0.143 11.073 ( -1.982 0.000 -0.415) 2.025 11.114 ( -4.170 0.000 -0.467) 4.196 16.093 ( 0.412 0.000 0.152) 0.439 16.107 ( -0.184 0.000 -0.170) 0.251 16.156 ( 1.030 0.000 0.150) 1.041 16.170 ( 0.522 0.000 -0.152) 0.544 23.428 ( 1.785 0.000 3.385) 3.827 23.551 ( -3.873 0.000 6.914) 7.925 23.787 ( 0.320 0.000 0.045) 0.323 23.790 ( 0.329 0.000 -0.018) 0.330 23.803 ( 4.446 0.000 0.098) 4.447 23.820 ( -0.163 0.000 0.083) 0.183 23.830 ( -0.462 0.000 -0.148) 0.485 24.203 ( -11.049 0.000 -6.095) 12.619 24.949 ( 9.086 0.000 5.759) 10.757 25.127 ( 0.602 0.000 4.407) 4.448 25.362 ( 9.054 0.000 -3.969) 9.886 25.697 ( -3.476 0.000 -9.463) 10.081 ======================= Grid point 66 (24/60) ======================= q-point: (-0.50 0.00 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( -13.077 0.000 -1.263) 13.138 1.253 ( 13.077 0.000 -1.263) 13.138 1.265 ( -10.492 0.000 4.210) 11.305 1.265 ( 10.492 0.000 4.210) 11.305 1.663 ( -2.963 0.000 -7.922) 8.458 1.663 ( 2.963 0.000 -7.922) 8.458 1.678 ( -4.680 0.000 -3.871) 6.074 1.678 ( 4.680 0.000 -3.871) 6.074 1.877 ( -2.037 0.000 2.208) 3.004 1.877 ( 2.037 0.000 2.208) 3.004 1.972 ( -1.409 0.000 5.565) 5.741 1.972 ( 1.409 0.000 5.565) 5.741 2.072 ( -2.697 0.000 1.873) 3.284 2.072 ( 2.697 0.000 1.873) 3.284 2.214 ( -8.412 0.000 -1.017) 8.474 2.214 ( 8.412 0.000 -1.017) 8.474 2.244 ( -5.779 0.000 -0.546) 5.804 2.244 ( 5.779 0.000 -0.546) 5.804 2.308 ( -9.666 0.000 4.756) 10.773 2.308 ( 9.666 0.000 4.756) 10.773 2.461 ( -2.129 0.000 -1.802) 2.789 2.461 ( 2.129 0.000 -1.802) 2.789 2.489 ( -7.108 0.000 0.329) 7.115 2.489 ( 7.108 0.000 0.329) 7.115 2.634 ( -7.237 0.000 1.935) 7.491 2.634 ( 7.237 0.000 1.935) 7.491 2.923 ( -0.680 0.000 -0.392) 0.785 2.923 ( 0.680 0.000 -0.392) 0.785 3.139 ( -7.401 0.000 -5.244) 9.070 3.139 ( 7.401 0.000 -5.244) 9.070 3.225 ( -0.816 0.000 -0.324) 0.878 3.225 ( 0.816 0.000 -0.324) 0.878 3.305 ( -2.627 0.000 -2.477) 3.611 3.305 ( 2.627 0.000 -2.477) 3.611 3.541 ( -1.888 0.000 3.480) 3.959 3.541 ( 1.888 0.000 3.480) 3.959 3.614 ( -2.661 0.000 1.120) 2.887 3.614 ( 2.661 0.000 1.120) 2.887 3.714 ( -1.142 0.000 4.135) 4.290 3.714 ( 1.142 0.000 4.135) 4.290 3.757 ( -0.764 0.000 -1.019) 1.274 3.757 ( 0.764 0.000 -1.019) 1.274 3.976 ( -0.825 0.000 -1.315) 1.552 3.976 ( 0.825 0.000 -1.315) 1.552 4.492 ( -7.218 0.000 8.018) 10.789 4.492 ( 7.218 0.000 8.018) 10.789 5.250 ( -14.901 0.000 -10.249) 18.086 5.250 ( 14.901 0.000 -10.249) 18.086 7.309 ( -1.291 0.000 0.364) 1.342 7.309 ( 1.291 0.000 0.364) 1.342 7.395 ( -3.295 0.000 2.718) 4.272 7.395 ( 3.295 0.000 2.718) 4.272 7.412 ( -1.601 0.000 -0.268) 1.623 7.412 ( 1.601 0.000 -0.268) 1.623 7.691 ( -3.912 0.000 0.293) 3.923 7.691 ( 3.912 0.000 0.293) 3.923 10.753 ( -1.240 0.000 0.517) 1.344 10.753 ( 1.240 0.000 0.517) 1.344 10.892 ( -1.706 0.000 -1.330) 2.163 10.892 ( 1.706 0.000 -1.330) 2.163 10.910 ( -0.323 0.000 0.044) 0.326 10.910 ( 0.323 0.000 0.044) 0.326 10.971 ( -1.369 0.000 -0.813) 1.593 10.971 ( 1.369 0.000 -0.813) 1.593 11.029 ( -0.173 0.000 -0.024) 0.175 11.029 ( 0.173 0.000 -0.024) 0.175 11.057 ( -0.979 0.000 -0.611) 1.154 11.057 ( 0.979 0.000 -0.611) 1.154 16.102 ( -0.326 0.000 -0.017) 0.327 16.102 ( 0.326 0.000 -0.017) 0.327 16.172 ( -0.334 0.000 -0.017) 0.335 16.172 ( 0.334 0.000 -0.017) 0.335 23.479 ( -2.849 0.000 5.133) 5.870 23.479 ( 2.849 0.000 5.133) 5.870 23.793 ( -0.114 0.000 0.022) 0.117 23.793 ( 0.114 0.000 0.022) 0.117 23.821 ( -0.289 0.000 -0.041) 0.292 23.821 ( 0.289 0.000 -0.041) 0.292 23.965 ( -9.980 0.000 -3.564) 10.598 23.965 ( 9.980 0.000 -3.564) 10.598 25.094 ( -3.989 0.000 4.192) 5.787 25.094 ( 3.989 0.000 4.192) 5.787 25.561 ( -8.442 0.000 -5.243) 9.937 25.561 ( 8.442 0.000 -5.243) 9.937 ======================= Grid point 70 (25/60) ======================= q-point: ( 0.00 0.11 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( 0.000 13.809 13.449) 19.276 0.573 ( 0.000 14.645 14.102) 20.331 0.923 ( 0.000 22.014 20.638) 30.175 1.336 ( 0.000 6.074 -9.865) 11.585 1.368 ( 0.000 3.449 -5.237) 6.271 1.647 ( 0.000 -1.036 1.615) 1.919 1.666 ( 0.000 1.086 2.817) 3.020 1.746 ( 0.000 2.865 1.702) 3.332 1.789 ( 0.000 -1.098 -2.591) 2.814 1.914 ( 0.000 2.993 1.567) 3.378 1.957 ( 0.000 3.923 -0.493) 3.954 1.997 ( 0.000 1.336 2.526) 2.858 2.015 ( 0.000 5.397 2.343) 5.884 2.073 ( 0.000 6.063 0.914) 6.131 2.168 ( 0.000 -2.160 1.114) 2.430 2.208 ( 0.000 -2.107 -2.008) 2.911 2.258 ( 0.000 6.621 -0.715) 6.659 2.269 ( 0.000 -4.929 2.405) 5.485 2.338 ( 0.000 -2.080 -3.804) 4.336 2.363 ( 0.000 -0.004 0.655) 0.655 2.450 ( 0.000 -0.601 4.330) 4.371 2.459 ( 0.000 -0.595 -1.460) 1.576 2.506 ( 0.000 2.815 -6.360) 6.955 2.567 ( 0.000 4.327 -1.041) 4.450 2.620 ( 0.000 1.160 -3.947) 4.114 2.790 ( 0.000 -3.125 -0.706) 3.204 2.898 ( 0.000 0.758 2.441) 2.556 2.970 ( 0.000 9.310 -5.610) 10.870 3.119 ( 0.000 0.775 -7.425) 7.465 3.204 ( 0.000 -7.670 2.555) 8.085 3.264 ( 0.000 -1.358 -2.786) 3.099 3.353 ( 0.000 1.092 0.018) 1.092 3.362 ( 0.000 1.763 -1.702) 2.450 3.450 ( 0.000 1.475 -0.286) 1.503 3.487 ( 0.000 -0.208 5.087) 5.091 3.543 ( 0.000 -1.283 1.242) 1.786 3.569 ( 0.000 0.068 4.869) 4.870 3.690 ( 0.000 2.198 -1.401) 2.606 3.690 ( 0.000 2.228 -3.880) 4.474 3.781 ( 0.000 1.229 0.569) 1.354 3.811 ( 0.000 2.058 0.597) 2.143 3.938 ( 0.000 -2.931 -3.776) 4.780 4.093 ( 0.000 0.011 2.590) 2.590 4.169 ( 0.000 5.717 -3.228) 6.565 4.185 ( 0.000 -1.581 1.193) 1.981 4.409 ( 0.000 -1.918 -4.900) 5.262 4.768 ( 0.000 -7.520 12.997) 15.016 5.441 ( 0.000 -10.516 -3.305) 11.023 7.226 ( 0.000 -1.851 0.330) 1.880 7.261 ( 0.000 1.950 -0.465) 2.005 7.326 ( 0.000 -0.924 0.812) 1.230 7.336 ( 0.000 4.216 -0.086) 4.217 7.479 ( 0.000 2.223 -0.627) 2.310 7.509 ( 0.000 -0.605 -0.397) 0.724 7.564 ( 0.000 1.248 3.321) 3.548 7.762 ( 0.000 0.078 -1.462) 1.464 10.728 ( 0.000 -2.092 -1.397) 2.515 10.735 ( 0.000 -2.188 -1.003) 2.408 10.835 ( 0.000 -0.452 0.184) 0.488 10.841 ( 0.000 -0.783 1.027) 1.291 10.940 ( 0.000 2.564 -0.405) 2.596 10.947 ( 0.000 0.211 -0.782) 0.810 11.021 ( 0.000 0.490 0.950) 1.069 11.024 ( 0.000 -1.315 -0.407) 1.376 11.065 ( 0.000 1.484 -0.192) 1.497 11.110 ( 0.000 3.967 -0.679) 4.025 11.196 ( 0.000 1.565 1.991) 2.532 11.262 ( 0.000 -0.484 -0.033) 0.485 16.085 ( 0.000 -0.187 0.383) 0.427 16.112 ( 0.000 -0.207 -0.011) 0.207 16.119 ( 0.000 -0.604 -0.110) 0.614 16.128 ( 0.000 -0.675 -0.144) 0.690 23.371 ( 0.000 -2.420 2.383) 3.397 23.661 ( 0.000 -3.339 -3.921) 5.149 23.691 ( 0.000 -5.018 8.973) 10.281 23.840 ( 0.000 4.006 -0.539) 4.042 23.857 ( 0.000 2.167 0.256) 2.182 23.859 ( 0.000 3.436 0.080) 3.437 24.171 ( 0.000 3.667 2.356) 4.359 24.396 ( 0.000 0.367 -4.907) 4.921 24.682 ( 0.000 -2.394 7.092) 7.485 25.021 ( 0.000 -4.665 0.781) 4.730 25.113 ( 0.000 -4.672 -1.856) 5.027 25.415 ( 0.000 5.311 -10.847) 12.078 ======================= Grid point 71 (26/60) ======================= q-point: ( 0.17 0.11 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( 9.811 11.252 10.080) 18.013 0.711 ( 13.111 10.420 9.832) 19.420 1.263 ( 22.897 14.731 11.976) 29.744 1.367 ( 3.751 5.444 -5.540) 8.625 1.410 ( 3.145 5.466 -4.384) 7.680 1.627 ( -0.056 -0.567 0.347) 0.667 1.706 ( 0.630 2.609 0.852) 2.816 1.770 ( 2.200 1.216 0.102) 2.516 1.795 ( 0.195 0.138 -2.218) 2.230 1.948 ( 2.425 2.259 2.898) 4.402 1.960 ( 0.247 3.345 1.390) 3.631 1.977 ( 0.192 3.024 1.932) 3.593 2.053 ( -2.125 6.321 2.642) 7.173 2.099 ( 5.793 2.355 1.484) 6.427 2.115 ( -5.553 0.089 2.129) 5.948 2.201 ( -2.406 -0.400 -0.925) 2.609 2.213 ( -2.154 -2.726 0.327) 3.489 2.242 ( -0.847 5.785 -1.471) 6.029 2.286 ( -0.437 -2.225 -0.264) 2.283 2.363 ( -1.782 0.017 2.798) 3.317 2.431 ( 3.101 -0.393 -0.691) 3.201 2.457 ( -3.414 3.711 -2.775) 5.756 2.515 ( 1.062 0.878 -0.888) 1.639 2.592 ( -1.448 2.170 -4.058) 4.824 2.632 ( 2.820 0.213 -6.013) 6.645 2.779 ( -0.415 -4.462 -0.354) 4.495 2.893 ( 0.610 2.353 0.666) 2.521 3.000 ( 0.210 7.642 -3.797) 8.536 3.100 ( -0.853 -4.431 -1.055) 4.634 3.212 ( -4.231 -1.865 -1.431) 4.840 3.220 ( 1.330 -2.921 2.767) 4.238 3.306 ( -0.462 1.995 -2.764) 3.440 3.340 ( -3.263 1.264 0.053) 3.500 3.438 ( -2.962 0.617 -1.576) 3.412 3.463 ( -1.949 -1.345 2.288) 3.293 3.551 ( 2.917 -1.555 3.857) 5.080 3.598 ( -0.026 0.241 3.969) 3.977 3.673 ( -1.335 4.533 -1.181) 4.871 3.712 ( 1.454 1.597 -3.459) 4.078 3.766 ( -1.454 0.541 0.336) 1.588 3.780 ( -1.236 0.953 -1.421) 2.111 3.902 ( -0.849 6.224 0.254) 6.287 3.985 ( -3.988 1.091 2.955) 5.082 4.117 ( -5.042 3.005 -0.778) 5.921 4.254 ( 3.590 -1.043 0.221) 3.745 4.555 ( 10.992 -3.583 -3.752) 12.154 4.686 ( -3.520 -7.038 14.048) 16.102 5.535 ( 1.050 -13.051 -11.099) 17.165 7.247 ( 1.883 -1.382 0.779) 2.462 7.282 ( 1.596 2.766 0.140) 3.197 7.337 ( 0.931 3.413 0.264) 3.547 7.371 ( 2.852 -1.233 -0.100) 3.109 7.497 ( 0.466 2.454 -0.866) 2.644 7.500 ( -0.790 0.283 -0.278) 0.884 7.554 ( -0.635 0.797 3.851) 3.984 7.756 ( -0.601 -0.771 -1.181) 1.533 10.724 ( -0.119 -1.877 -0.414) 1.925 10.752 ( 0.903 -1.796 -1.323) 2.406 10.835 ( -0.158 -1.049 1.574) 1.898 10.850 ( 1.131 -0.766 -0.248) 1.388 10.930 ( -1.003 1.545 -0.411) 1.887 10.944 ( -0.393 0.799 -0.078) 0.894 10.998 ( -1.372 -1.675 -0.832) 2.320 11.027 ( 0.021 0.291 -0.014) 0.292 11.061 ( -1.402 1.809 -0.436) 2.330 11.084 ( -1.316 1.975 -0.395) 2.405 11.157 ( -2.538 2.859 0.735) 3.893 11.209 ( -4.435 -0.458 -0.296) 4.468 16.085 ( 0.124 -0.159 0.295) 0.357 16.108 ( -0.319 -0.408 -0.235) 0.569 16.128 ( 1.050 -0.385 0.229) 1.141 16.145 ( 1.000 -0.694 -0.178) 1.230 23.382 ( 1.064 -1.706 2.294) 3.051 23.607 ( -3.592 -2.963 4.179) 6.256 23.710 ( 1.073 -3.307 1.839) 3.933 23.824 ( -0.677 3.183 -0.291) 3.267 23.843 ( -0.864 1.982 0.236) 2.175 23.858 ( -0.194 3.452 -0.151) 3.460 24.006 ( -7.572 10.594 3.719) 13.542 24.399 ( -2.651 1.574 -7.704) 8.298 24.746 ( 6.648 -0.732 8.511) 10.825 25.034 ( 1.626 -5.236 4.353) 7.000 25.161 ( 4.928 -4.548 -3.743) 7.679 25.594 ( 7.332 -5.295 -12.906) 15.759 ======================= Grid point 72 (27/60) ======================= q-point: ( 0.33 0.11 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 16.102 4.951 2.851) 17.085 1.030 ( 15.067 6.473 5.694) 17.359 1.411 ( 0.262 3.202 -2.684) 4.186 1.438 ( -0.862 4.937 -1.328) 5.184 1.638 ( 0.827 1.223 -3.661) 3.947 1.678 ( -2.298 1.202 -5.105) 5.726 1.759 ( -2.427 1.301 -4.529) 5.301 1.763 ( 5.601 2.723 -1.116) 6.327 1.871 ( 16.908 9.275 7.693) 20.763 1.933 ( -1.846 4.451 2.425) 5.394 1.974 ( -1.453 5.190 4.109) 6.777 1.985 ( 0.509 1.740 4.268) 4.637 2.026 ( -0.451 3.707 3.113) 4.862 2.063 ( 2.710 3.068 3.126) 5.150 2.118 ( -0.399 -0.141 0.750) 0.861 2.171 ( -2.560 -0.720 0.484) 2.703 2.229 ( 2.901 2.232 -0.148) 3.663 2.260 ( 2.186 3.458 0.240) 4.098 2.303 ( 2.730 -0.910 1.644) 3.314 2.361 ( -1.132 -0.699 -2.456) 2.793 2.417 ( 1.627 1.622 -0.793) 2.430 2.483 ( -0.104 4.419 -0.885) 4.508 2.501 ( -1.414 -0.427 -1.478) 2.090 2.568 ( 0.452 -0.217 -2.403) 2.455 2.632 ( -2.748 2.102 -3.255) 4.751 2.801 ( 0.246 -5.540 -1.808) 5.832 2.909 ( -0.196 -0.626 -0.685) 0.949 2.953 ( -6.298 2.051 -0.808) 6.673 3.073 ( -2.666 5.066 0.862) 5.789 3.093 ( -0.494 -5.698 0.721) 5.764 3.247 ( 0.592 -0.822 0.141) 1.023 3.281 ( -0.453 0.738 -0.853) 1.215 3.345 ( 0.748 0.986 -2.444) 2.740 3.363 ( -2.831 3.462 -1.190) 4.628 3.441 ( 0.184 -3.432 0.968) 3.570 3.530 ( -3.959 -2.256 0.507) 4.585 3.606 ( 1.809 -2.642 2.382) 3.991 3.689 ( 1.377 7.075 0.254) 7.212 3.731 ( -1.385 -0.106 -0.502) 1.477 3.747 ( 1.120 1.514 -0.584) 1.972 3.768 ( 0.128 2.043 0.579) 2.127 3.873 ( -2.121 9.146 3.125) 9.895 3.960 ( 0.557 -0.271 -0.223) 0.658 4.020 ( -2.862 2.570 1.000) 3.975 4.338 ( 4.619 -1.600 2.646) 5.559 4.585 ( -4.961 -5.488 12.205) 14.272 4.853 ( 14.250 -6.544 -7.419) 17.348 5.428 ( -9.621 -10.605 -11.007) 18.061 7.299 ( 2.662 0.208 0.978) 2.844 7.325 ( 2.470 2.628 0.968) 3.734 7.361 ( 0.930 3.687 0.357) 3.819 7.413 ( 0.265 0.444 -0.418) 0.665 7.472 ( -2.108 1.679 1.350) 3.014 7.476 ( -1.618 1.629 -0.292) 2.315 7.579 ( 3.357 -0.742 2.127) 4.042 7.729 ( -2.080 -2.144 -0.651) 3.057 10.726 ( 0.398 -1.064 0.459) 1.226 10.761 ( -0.238 -1.403 -0.411) 1.481 10.838 ( 0.513 -1.748 0.445) 1.875 10.881 ( 1.478 -1.096 -0.310) 1.867 10.901 ( -1.517 -1.244 -0.999) 2.202 10.921 ( -1.330 0.204 -0.691) 1.513 10.978 ( -1.029 -0.760 0.107) 1.284 11.004 ( -0.522 0.915 -0.125) 1.061 11.045 ( 0.054 1.157 0.228) 1.180 11.061 ( -1.605 2.278 -0.855) 2.915 11.101 ( -3.226 2.174 -0.681) 3.949 11.112 ( -2.643 0.711 -0.525) 2.786 16.092 ( 0.396 -0.161 0.149) 0.453 16.104 ( -0.141 -0.317 -0.134) 0.373 16.152 ( 0.976 -0.491 0.143) 1.102 16.163 ( 0.542 -0.683 -0.121) 0.880 23.417 ( 2.115 -0.909 2.946) 3.739 23.533 ( -3.112 -1.410 5.977) 6.885 23.737 ( 1.538 -3.150 -0.578) 3.553 23.808 ( -1.267 -0.628 -0.332) 1.453 23.842 ( 0.418 3.391 0.007) 3.416 23.863 ( 0.623 5.827 -1.354) 6.015 23.925 ( 0.560 7.507 1.667) 7.710 24.254 ( -9.433 5.339 -6.332) 12.553 24.925 ( 7.980 -2.352 5.864) 10.178 25.068 ( 0.895 -5.813 4.975) 7.703 25.321 ( 9.130 -4.122 -3.777) 10.705 25.636 ( -2.559 -5.789 -8.345) 10.474 ======================= Grid point 73 (28/60) ======================= q-point: (-0.50 0.11 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( -12.719 2.586 0.544) 12.991 1.268 ( 12.719 2.586 0.544) 12.991 1.318 ( -10.393 4.437 2.639) 11.605 1.318 ( 10.393 4.437 2.639) 11.605 1.658 ( -1.667 0.427 -5.687) 5.942 1.658 ( 1.667 0.427 -5.687) 5.942 1.733 ( -2.456 4.079 -6.025) 7.680 1.733 ( 2.456 4.079 -6.025) 7.680 1.918 ( -1.148 3.920 2.616) 4.850 1.918 ( 1.148 3.920 2.616) 4.850 2.017 ( -0.822 4.179 5.365) 6.850 2.017 ( 0.822 4.179 5.365) 6.850 2.091 ( -1.894 -0.886 0.631) 2.184 2.091 ( 1.894 -0.886 0.631) 2.184 2.200 ( -3.885 2.831 1.189) 4.952 2.200 ( 3.885 2.831 1.189) 4.952 2.298 ( -2.675 1.989 0.144) 3.337 2.298 ( 2.675 1.989 0.144) 3.337 2.334 ( -10.279 4.546 1.253) 11.309 2.334 ( 10.279 4.546 1.253) 11.309 2.441 ( -2.508 -0.891 -0.838) 2.790 2.441 ( 2.508 -0.891 -0.838) 2.790 2.534 ( -6.697 4.049 0.617) 7.851 2.534 ( 6.697 4.049 0.617) 7.851 2.631 ( -6.519 -0.544 0.778) 6.587 2.631 ( 6.519 -0.544 0.778) 6.587 2.914 ( -1.482 -1.635 -1.769) 2.828 2.914 ( 1.482 -1.635 -1.769) 2.828 3.074 ( -0.889 -3.111 -0.441) 3.265 3.074 ( 0.889 -3.111 -0.441) 3.265 3.278 ( -2.342 0.200 -1.234) 2.655 3.278 ( 2.342 0.200 -1.234) 2.655 3.327 ( -2.637 4.506 -2.461) 5.772 3.327 ( 2.637 4.506 -2.461) 5.772 3.469 ( -2.170 -3.793 1.648) 4.670 3.469 ( 2.170 -3.793 1.648) 4.670 3.653 ( -2.725 -0.740 0.592) 2.885 3.653 ( 2.725 -0.740 0.592) 2.885 3.740 ( -0.830 2.662 -0.013) 2.789 3.740 ( 0.830 2.662 -0.013) 2.789 3.816 ( -2.968 6.582 2.455) 7.626 3.816 ( 2.968 6.582 2.455) 7.626 3.982 ( -1.256 1.037 -0.253) 1.649 3.982 ( 1.256 1.037 -0.253) 1.649 4.458 ( -6.186 -3.285 7.562) 10.307 4.458 ( 6.186 -3.285 7.562) 10.307 5.164 ( -13.948 -8.514 -9.280) 18.792 5.164 ( 13.948 -8.514 -9.280) 18.792 7.352 ( -1.868 3.005 0.517) 3.576 7.352 ( 1.868 3.005 0.517) 3.576 7.386 ( -2.734 0.252 1.480) 3.119 7.386 ( 2.734 0.252 1.480) 3.119 7.447 ( -0.749 3.257 0.226) 3.350 7.447 ( 0.749 3.257 0.226) 3.350 7.664 ( -3.799 -2.598 0.212) 4.607 7.664 ( 3.799 -2.598 0.212) 4.607 10.743 ( -1.102 -0.961 0.577) 1.572 10.743 ( 1.102 -0.961 0.577) 1.572 10.862 ( -1.633 -2.505 -1.031) 3.163 10.862 ( 1.633 -2.505 -1.031) 3.163 10.905 ( -0.441 -0.618 -0.577) 0.954 10.905 ( 0.441 -0.618 -0.577) 0.954 10.984 ( -2.180 0.703 0.287) 2.308 10.984 ( 2.180 0.703 0.287) 2.308 11.035 ( -1.485 1.027 -0.142) 1.811 11.035 ( 1.485 1.027 -0.142) 1.811 11.079 ( -0.898 2.177 -0.866) 2.509 11.079 ( 0.898 2.177 -0.866) 2.509 16.100 ( -0.290 -0.223 -0.004) 0.366 16.100 ( 0.290 -0.223 -0.004) 0.366 16.166 ( -0.290 -0.608 0.001) 0.674 16.166 ( 0.290 -0.608 0.001) 0.674 23.470 ( -2.712 -0.788 4.586) 5.385 23.470 ( 2.712 -0.788 4.586) 5.385 23.774 ( -1.753 -2.931 -0.487) 3.450 23.774 ( 1.753 -2.931 -0.487) 3.450 23.852 ( -0.698 4.732 -0.065) 4.784 23.852 ( 0.698 4.732 -0.065) 4.784 24.045 ( -8.783 7.076 -3.319) 11.757 24.045 ( 8.783 7.076 -3.319) 11.757 25.048 ( -3.179 -4.466 4.573) 7.139 25.048 ( 3.179 -4.466 4.573) 7.139 25.516 ( -7.947 -4.481 -4.901) 10.356 25.516 ( 7.947 -4.481 -4.901) 10.356 ======================= Grid point 77 (29/60) ======================= q-point: ( 0.00 0.22 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 0.000 15.193 8.198) 17.264 0.887 ( 0.000 17.433 8.147) 19.243 1.308 ( 0.000 13.302 3.516) 13.758 1.448 ( 0.000 4.515 -8.475) 9.603 1.524 ( 0.000 14.929 1.831) 15.041 1.653 ( 0.000 2.093 2.362) 3.156 1.702 ( 0.000 2.714 0.831) 2.838 1.750 ( 0.000 -2.455 -0.682) 2.548 1.815 ( 0.000 4.078 2.141) 4.606 1.943 ( 0.000 0.144 -0.698) 0.713 2.015 ( 0.000 -1.249 2.348) 2.659 2.034 ( 0.000 3.607 -2.540) 4.411 2.092 ( 0.000 -0.955 4.001) 4.114 2.134 ( 0.000 5.054 -0.923) 5.138 2.160 ( 0.000 1.520 1.393) 2.062 2.170 ( 0.000 -0.784 -0.789) 1.113 2.264 ( 0.000 2.123 2.125) 3.004 2.266 ( 0.000 -4.460 -4.003) 5.993 2.371 ( 0.000 3.134 3.195) 4.475 2.396 ( 0.000 2.557 -1.130) 2.795 2.440 ( 0.000 1.625 1.749) 2.388 2.493 ( 0.000 4.514 1.829) 4.871 2.544 ( 0.000 0.782 -4.814) 4.877 2.634 ( 0.000 3.024 0.690) 3.102 2.648 ( 0.000 -0.065 -3.045) 3.046 2.760 ( 0.000 0.652 -0.763) 1.004 2.910 ( 0.000 2.033 5.719) 6.069 3.050 ( 0.000 -8.473 2.713) 8.897 3.122 ( 0.000 5.830 -5.314) 7.889 3.145 ( 0.000 1.648 -11.515) 11.633 3.218 ( 0.000 -3.741 -2.951) 4.765 3.390 ( 0.000 2.298 -1.952) 3.016 3.413 ( 0.000 3.517 -3.720) 5.120 3.467 ( 0.000 -1.211 -2.281) 2.583 3.505 ( 0.000 2.702 4.532) 5.277 3.508 ( 0.000 -1.466 1.501) 2.098 3.552 ( 0.000 -0.717 1.277) 1.464 3.705 ( 0.000 -0.738 -4.018) 4.085 3.764 ( 0.000 3.390 0.029) 3.390 3.811 ( 0.000 -0.092 0.340) 0.352 3.873 ( 0.000 5.306 1.221) 5.445 3.902 ( 0.000 1.780 -0.465) 1.840 4.111 ( 0.000 1.995 4.746) 5.148 4.146 ( 0.000 -2.162 1.881) 2.865 4.244 ( 0.000 2.765 -1.433) 3.114 4.369 ( 0.000 -1.867 -3.139) 3.652 4.590 ( 0.000 -10.393 10.970) 15.111 5.230 ( 0.000 -12.201 -4.515) 13.010 7.201 ( 0.000 -0.902 -0.081) 0.906 7.255 ( 0.000 -1.665 -1.033) 1.959 7.352 ( 0.000 1.626 1.203) 2.023 7.425 ( 0.000 4.509 -0.694) 4.562 7.483 ( 0.000 -1.495 0.069) 1.496 7.512 ( 0.000 2.637 -0.966) 2.809 7.616 ( 0.000 3.347 2.876) 4.413 7.766 ( 0.000 0.311 -0.544) 0.627 10.694 ( 0.000 -1.890 -0.800) 2.052 10.699 ( 0.000 -1.128 -2.306) 2.567 10.824 ( 0.000 -0.839 1.063) 1.354 10.829 ( 0.000 -0.357 -0.282) 0.455 10.937 ( 0.000 -0.930 -0.342) 0.991 10.948 ( 0.000 -1.242 -1.390) 1.864 11.002 ( 0.000 -0.855 -0.173) 0.872 11.043 ( 0.000 1.108 0.221) 1.130 11.121 ( 0.000 3.825 2.215) 4.420 11.169 ( 0.000 2.041 1.968) 2.835 11.255 ( 0.000 4.306 -0.404) 4.325 11.262 ( 0.000 0.937 -0.340) 0.997 16.081 ( 0.000 -0.211 0.323) 0.386 16.104 ( 0.000 -0.918 -0.140) 0.928 16.107 ( 0.000 -0.352 0.048) 0.355 16.111 ( 0.000 -1.005 -0.043) 1.006 23.345 ( 0.000 -0.333 -0.009) 0.333 23.592 ( 0.000 -3.871 -4.054) 5.606 23.616 ( 0.000 -3.186 8.781) 9.341 23.845 ( 0.000 -1.742 -0.375) 1.782 23.944 ( 0.000 5.226 0.412) 5.242 23.965 ( 0.000 6.490 -0.160) 6.492 24.251 ( 0.000 3.772 1.382) 4.017 24.405 ( 0.000 0.584 -4.175) 4.216 24.621 ( 0.000 -3.675 6.200) 7.208 24.930 ( 0.000 -4.540 -0.532) 4.572 25.006 ( 0.000 -5.074 1.404) 5.265 25.456 ( 0.000 -0.341 -8.876) 8.883 ======================= Grid point 78 (30/60) ======================= q-point: ( 0.17 0.22 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 4.693 16.014 7.408) 18.258 0.936 ( 9.049 12.864 7.138) 17.272 1.424 ( 3.649 4.649 -4.307) 7.313 1.519 ( 6.539 6.224 -6.154) 10.925 1.623 ( -0.733 0.692 1.349) 1.684 1.638 ( 11.250 15.078 3.794) 19.191 1.754 ( 0.377 0.566 -0.345) 0.763 1.778 ( 3.638 1.849 -1.103) 4.227 1.831 ( 2.418 3.986 2.068) 5.101 1.967 ( 1.904 0.252 1.487) 2.429 2.020 ( -0.927 2.276 -1.030) 2.665 2.029 ( 1.584 0.044 2.611) 3.054 2.088 ( -0.542 1.423 2.385) 2.830 2.121 ( 0.384 2.155 -0.666) 2.288 2.181 ( -3.100 1.266 0.015) 3.348 2.205 ( 0.542 -1.092 0.243) 1.244 2.224 ( -0.617 3.747 1.937) 4.263 2.246 ( 2.742 3.201 0.772) 4.285 2.356 ( -2.759 1.747 0.783) 3.359 2.395 ( 0.026 3.535 0.029) 3.536 2.434 ( 2.689 1.919 -0.410) 3.329 2.526 ( 0.290 1.429 0.966) 1.749 2.538 ( -0.663 2.522 -2.058) 3.322 2.629 ( -0.701 1.698 -2.537) 3.132 2.657 ( 0.751 1.239 -2.122) 2.569 2.723 ( -1.944 0.531 0.176) 2.023 2.918 ( 0.719 0.975 4.359) 4.525 3.001 ( -3.488 -5.799 -5.127) 8.490 3.133 ( -2.598 4.759 -5.847) 7.974 3.173 ( -0.106 -1.885 0.455) 1.942 3.189 ( 3.247 0.362 0.099) 3.269 3.343 ( -3.928 1.017 -1.651) 4.380 3.367 ( -2.382 2.390 -3.334) 4.744 3.424 ( -2.522 -0.999 -2.556) 3.728 3.487 ( -1.776 2.133 1.555) 3.182 3.533 ( 0.734 -2.001 0.838) 2.290 3.569 ( 0.007 -0.395 2.243) 2.278 3.702 ( 0.039 -1.656 -4.675) 4.960 3.753 ( -0.914 0.148 2.042) 2.243 3.797 ( -1.224 2.314 -1.479) 3.007 3.861 ( 0.191 8.335 0.701) 8.366 3.935 ( 2.004 1.544 0.699) 2.625 4.073 ( -2.054 5.713 4.916) 7.812 4.166 ( -1.268 0.592 0.863) 1.644 4.242 ( 1.513 0.671 -0.893) 1.881 4.471 ( 8.225 -5.020 -4.267) 10.539 4.525 ( -3.492 -8.766 12.763) 15.872 5.267 ( 0.396 -14.675 -6.853) 16.201 7.226 ( 2.122 -0.866 0.211) 2.302 7.291 ( 3.013 -1.665 -1.160) 3.633 7.375 ( 2.001 1.010 1.838) 2.898 7.429 ( 0.515 4.736 -0.242) 4.770 7.490 ( 0.597 -1.106 -0.037) 1.258 7.512 ( -0.561 2.170 -0.097) 2.243 7.617 ( 0.069 3.814 1.174) 3.991 7.747 ( -1.719 -0.060 -0.536) 1.801 10.691 ( 0.219 -1.420 -0.725) 1.609 10.717 ( 0.989 -1.670 -1.610) 2.521 10.816 ( -0.621 -0.853 1.848) 2.129 10.838 ( 0.822 -0.581 -0.469) 1.110 10.927 ( -2.053 -1.313 -0.934) 2.610 10.943 ( 0.378 -0.656 -0.367) 0.841 10.974 ( -2.012 -0.815 -0.278) 2.188 11.043 ( -0.064 0.603 -0.591) 0.847 11.104 ( -2.412 2.493 1.388) 3.736 11.132 ( -1.414 2.662 1.908) 3.568 11.212 ( -3.699 1.918 -0.511) 4.198 11.230 ( -2.515 3.880 -0.453) 4.645 16.082 ( 0.168 -0.145 0.239) 0.326 16.098 ( -0.182 -0.656 -0.098) 0.687 16.119 ( 0.942 -0.565 0.113) 1.105 16.128 ( 0.958 -1.080 -0.077) 1.446 23.361 ( 1.431 -0.369 0.585) 1.589 23.557 ( -2.229 -2.308 3.574) 4.804 23.643 ( 1.679 -3.755 0.540) 4.148 23.824 ( -1.963 -2.393 -0.401) 3.121 23.922 ( -1.228 4.919 0.159) 5.073 23.951 ( -0.162 5.594 -0.719) 5.642 24.168 ( -5.425 6.394 2.388) 8.719 24.456 ( 1.856 4.488 -6.932) 8.464 24.720 ( 7.166 -2.870 5.795) 9.653 24.929 ( -0.624 -3.730 6.523) 7.540 25.044 ( 5.264 -7.311 -3.126) 9.536 25.499 ( 2.446 -4.625 -8.299) 9.811 ======================= Grid point 79 (31/60) ======================= q-point: ( 0.33 0.22 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 11.531 10.601 4.208) 16.219 1.179 ( 12.121 8.895 4.239) 15.621 1.478 ( 0.716 3.919 -2.593) 4.754 1.545 ( -3.564 4.922 2.650) 6.630 1.660 ( 2.116 1.577 -4.971) 5.628 1.706 ( -2.115 1.289 -3.265) 4.098 1.794 ( -0.866 2.723 -5.173) 5.909 1.823 ( 1.347 3.050 -4.950) 5.968 1.954 ( 3.226 -0.502 1.273) 3.504 1.995 ( -1.958 -0.158 -0.896) 2.160 2.042 ( 1.795 -0.515 2.794) 3.360 2.061 ( -0.987 0.186 1.425) 1.743 2.101 ( -1.583 5.652 3.074) 6.626 2.143 ( 10.839 7.477 3.792) 13.703 2.162 ( 0.789 4.964 4.361) 6.654 2.191 ( 3.369 6.117 4.299) 8.200 2.275 ( 5.705 3.918 0.681) 6.955 2.314 ( -0.720 0.895 -3.662) 3.838 2.327 ( 3.663 2.984 1.711) 5.025 2.446 ( -2.260 2.800 -0.565) 3.642 2.452 ( 2.890 1.909 -1.174) 3.657 2.498 ( -1.271 3.985 1.525) 4.452 2.549 ( 2.270 1.317 -1.023) 2.817 2.581 ( -2.273 3.567 -1.920) 4.645 2.670 ( -0.461 1.719 -0.476) 1.843 2.739 ( 2.174 0.073 -3.463) 4.090 2.892 ( -2.763 -1.061 -3.719) 4.753 2.953 ( -4.224 -5.180 1.530) 6.857 3.009 ( -3.795 2.590 0.410) 4.613 3.184 ( -3.210 3.668 1.222) 5.025 3.233 ( -0.576 -0.283 2.264) 2.353 3.276 ( 1.637 -0.137 1.023) 1.935 3.369 ( 1.193 -1.709 -3.098) 3.734 3.384 ( -0.678 2.476 -2.747) 3.759 3.432 ( -2.203 0.055 -0.254) 2.218 3.496 ( -2.900 -1.114 -0.471) 3.142 3.586 ( 1.529 0.690 1.164) 2.042 3.711 ( -2.254 -1.785 -1.253) 3.137 3.719 ( -0.019 -1.417 -2.096) 2.530 3.761 ( -1.306 -0.701 0.155) 1.491 3.898 ( 2.883 9.163 1.373) 9.704 3.978 ( 1.795 2.945 1.461) 3.746 4.029 ( -1.924 6.559 2.739) 7.364 4.100 ( -3.439 5.133 1.120) 6.279 4.306 ( 3.630 -1.377 2.047) 4.389 4.464 ( -2.857 -6.321 10.419) 12.516 4.694 ( 11.864 -9.404 -6.088) 16.317 5.184 ( -7.791 -14.211 -7.696) 17.941 7.284 ( 3.049 -1.049 0.886) 3.344 7.352 ( 1.710 -0.893 -0.258) 1.946 7.427 ( 1.647 -0.013 1.088) 1.974 7.457 ( 1.981 3.995 -0.120) 4.461 7.478 ( -0.780 1.172 1.018) 1.737 7.514 ( 0.999 2.767 -0.070) 2.942 7.611 ( -0.646 3.452 -0.230) 3.519 7.692 ( -3.268 -0.925 -0.397) 3.419 10.702 ( 0.718 -1.212 0.189) 1.421 10.733 ( 0.251 -1.398 -0.561) 1.527 10.800 ( -0.621 -1.988 1.723) 2.703 10.855 ( -0.754 -2.018 -0.514) 2.215 10.878 ( -0.710 -0.504 -0.984) 1.314 10.919 ( -1.815 -0.264 -1.245) 2.217 10.961 ( 0.125 -1.076 0.392) 1.152 11.029 ( -0.636 0.014 -0.012) 0.636 11.057 ( -2.054 1.378 1.310) 2.799 11.106 ( -0.798 2.464 -1.031) 2.788 11.147 ( -1.566 3.506 -0.569) 3.882 11.164 ( -3.137 3.379 -0.071) 4.612 16.089 ( 0.359 -0.121 0.128) 0.400 16.097 ( -0.000 -0.407 -0.047) 0.410 16.139 ( 0.818 -0.777 0.100) 1.133 16.146 ( 0.590 -1.101 -0.041) 1.250 23.403 ( 2.334 -0.371 1.937) 3.055 23.508 ( -2.301 -1.115 4.590) 5.254 23.675 ( 1.267 -3.554 -1.172) 3.951 23.767 ( -2.971 -3.599 -0.463) 4.690 23.924 ( 1.070 4.761 -0.216) 4.884 23.985 ( 2.728 6.241 -2.558) 7.276 24.074 ( -1.714 7.497 2.264) 8.017 24.391 ( -7.590 8.152 -7.647) 13.511 24.871 ( 5.907 -3.711 4.820) 8.479 24.942 ( 1.654 -5.341 8.068) 9.816 25.218 ( 9.502 -6.367 -3.220) 11.883 25.509 ( -2.031 -7.057 -6.147) 9.577 ======================= Grid point 80 (32/60) ======================= q-point: (-0.50 0.22 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( -10.898 5.956 1.823) 12.552 1.351 ( 10.898 5.956 1.823) 12.552 1.419 ( -8.866 5.948 1.845) 10.835 1.419 ( 8.866 5.948 1.845) 10.835 1.676 ( -1.573 1.287 -4.056) 4.537 1.676 ( 1.573 1.287 -4.056) 4.537 1.810 ( -1.674 3.966 -6.351) 7.673 1.810 ( 1.674 3.966 -6.351) 7.673 1.974 ( -0.304 -1.508 0.743) 1.708 1.974 ( 0.304 -1.508 0.743) 1.708 2.049 ( -0.821 1.133 1.601) 2.126 2.049 ( 0.821 1.133 1.601) 2.126 2.114 ( -2.119 5.559 4.431) 7.418 2.114 ( 2.119 5.559 4.431) 7.418 2.255 ( -3.343 -0.595 0.859) 3.503 2.255 ( 3.343 -0.595 0.859) 3.503 2.365 ( -3.225 -0.501 -1.346) 3.531 2.365 ( 3.225 -0.501 -1.346) 3.531 2.391 ( -4.735 7.349 0.416) 8.752 2.391 ( 4.735 7.349 0.416) 8.752 2.518 ( -4.319 6.828 -1.399) 8.200 2.518 ( 4.319 6.828 -1.399) 8.200 2.602 ( -3.943 1.577 -0.309) 4.258 2.602 ( 3.943 1.577 -0.309) 4.258 2.651 ( -6.422 5.609 1.332) 8.630 2.651 ( 6.422 5.609 1.332) 8.630 2.856 ( -1.107 -3.215 -2.967) 4.513 2.856 ( 1.107 -3.215 -2.967) 4.513 3.056 ( -5.263 0.615 4.102) 6.701 3.056 ( 5.263 0.615 4.102) 6.701 3.267 ( -1.670 -0.391 -0.671) 1.842 3.267 ( 1.670 -0.391 -0.671) 1.842 3.400 ( -1.609 -0.416 0.523) 1.743 3.400 ( 1.609 -0.416 0.523) 1.743 3.424 ( -3.527 1.047 -1.453) 3.956 3.424 ( 3.527 1.047 -1.453) 3.956 3.636 ( -3.156 -0.253 -0.228) 3.175 3.636 ( 3.156 -0.253 -0.228) 3.175 3.739 ( -0.979 -2.234 -1.726) 2.988 3.739 ( 0.979 -2.234 -1.726) 2.988 3.965 ( -2.828 6.905 2.305) 7.810 3.965 ( 2.828 6.905 2.305) 7.810 4.036 ( -2.380 5.137 0.969) 5.744 4.036 ( 2.380 5.137 0.969) 5.744 4.389 ( -3.876 -3.359 6.063) 7.942 4.389 ( 3.876 -3.359 6.063) 7.942 4.960 ( -12.052 -12.148 -7.112) 18.531 4.960 ( 12.052 -12.148 -7.112) 18.531 7.346 ( -2.196 -1.458 1.418) 2.994 7.346 ( 2.196 -1.458 1.418) 2.994 7.442 ( -0.483 2.112 -0.193) 2.175 7.442 ( 0.483 2.112 -0.193) 2.175 7.526 ( -0.876 4.617 -0.017) 4.699 7.526 ( 0.876 4.617 -0.017) 4.699 7.620 ( -2.519 -0.787 -0.085) 2.641 7.620 ( 2.519 -0.787 -0.085) 2.641 10.722 ( -1.012 -1.086 0.741) 1.659 10.722 ( 1.012 -1.086 0.741) 1.659 10.811 ( -1.706 -2.677 -0.337) 3.192 10.811 ( 1.706 -2.677 -0.337) 3.192 10.894 ( -0.776 -0.366 -1.007) 1.323 10.894 ( 0.776 -0.366 -1.007) 1.323 10.980 ( -2.297 -0.984 0.622) 2.575 10.980 ( 2.297 -0.984 0.622) 2.575 11.076 ( -2.579 2.954 -0.073) 3.922 11.076 ( 2.579 2.954 -0.073) 3.922 11.129 ( -0.569 2.808 -0.744) 2.960 11.129 ( 0.569 2.808 -0.744) 2.960 16.095 ( -0.186 -0.219 0.028) 0.288 16.095 ( 0.186 -0.219 0.028) 0.288 16.150 ( -0.164 -0.982 0.029) 0.996 16.150 ( 0.164 -0.982 0.029) 0.996 23.456 ( -2.468 -0.508 3.504) 4.316 23.456 ( 2.468 -0.508 3.504) 4.316 23.710 ( -2.121 -3.794 -0.833) 4.425 23.710 ( 2.121 -3.794 -0.833) 4.425 23.963 ( -2.433 6.234 -0.015) 6.692 23.963 ( 2.433 6.234 -0.015) 6.692 24.191 ( -9.385 7.228 -4.188) 12.564 24.191 ( 9.385 7.228 -4.188) 12.564 24.953 ( -1.453 -4.486 5.636) 7.349 24.953 ( 1.453 -4.486 5.636) 7.349 25.407 ( -7.157 -6.542 -3.950) 10.470 25.407 ( 7.157 -6.542 -3.950) 10.470 ======================= Grid point 84 (33/60) ======================= q-point: ( 0.00 0.33 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 0.000 13.814 4.281) 14.462 1.205 ( 0.000 15.530 4.900) 16.285 1.464 ( 0.000 5.468 -0.351) 5.480 1.502 ( 0.000 2.030 -4.649) 5.073 1.647 ( 0.000 -4.009 1.174) 4.178 1.756 ( 0.000 5.373 -1.992) 5.731 1.766 ( 0.000 4.361 -0.222) 4.366 1.797 ( 0.000 6.169 1.516) 6.353 1.853 ( 0.000 0.045 -1.624) 1.625 1.956 ( 0.000 1.499 0.905) 1.752 1.991 ( 0.000 -0.604 2.339) 2.416 2.065 ( 0.000 0.161 4.989) 4.992 2.082 ( 0.000 1.210 -1.708) 2.093 2.138 ( 0.000 -1.894 -4.466) 4.851 2.157 ( 0.000 -4.607 -4.800) 6.653 2.218 ( 0.000 -0.310 1.485) 1.517 2.233 ( 0.000 4.768 0.693) 4.819 2.347 ( 0.000 -2.699 -0.824) 2.822 2.357 ( 0.000 9.029 0.218) 9.031 2.461 ( 0.000 4.932 2.663) 5.605 2.516 ( 0.000 -1.766 -3.895) 4.277 2.537 ( 0.000 3.453 2.644) 4.349 2.591 ( 0.000 4.687 0.509) 4.715 2.665 ( 0.000 2.462 1.678) 2.980 2.705 ( 0.000 5.488 4.245) 6.938 2.737 ( 0.000 -2.543 -0.601) 2.613 2.886 ( 0.000 -8.296 2.956) 8.807 2.982 ( 0.000 2.697 2.323) 3.560 3.121 ( 0.000 -6.133 -1.366) 6.283 3.164 ( 0.000 -0.141 -8.426) 8.427 3.183 ( 0.000 1.207 -3.614) 3.810 3.363 ( 0.000 -8.022 -2.692) 8.462 3.431 ( 0.000 1.635 -4.437) 4.729 3.461 ( 0.000 0.424 -6.383) 6.397 3.540 ( 0.000 3.617 -1.223) 3.818 3.544 ( 0.000 0.773 -0.367) 0.856 3.600 ( 0.000 5.640 2.461) 6.154 3.681 ( 0.000 -0.822 0.047) 0.823 3.805 ( 0.000 1.435 1.928) 2.404 3.815 ( 0.000 1.713 2.333) 2.894 3.980 ( 0.000 4.090 -1.081) 4.230 3.980 ( 0.000 4.601 -1.853) 4.960 4.124 ( 0.000 0.732 3.604) 3.678 4.167 ( 0.000 4.403 4.763) 6.486 4.292 ( 0.000 2.637 -0.586) 2.702 4.349 ( 0.000 -0.871 -1.683) 1.895 4.408 ( 0.000 -7.556 9.347) 12.019 4.969 ( 0.000 -15.328 -3.720) 15.773 7.190 ( 0.000 -0.282 -0.229) 0.363 7.224 ( 0.000 -1.476 -0.566) 1.581 7.353 ( 0.000 -0.822 0.123) 0.831 7.417 ( 0.000 -2.895 -1.237) 3.148 7.539 ( 0.000 5.027 0.617) 5.064 7.595 ( 0.000 5.218 -0.737) 5.269 7.667 ( 0.000 1.759 2.135) 2.766 7.768 ( 0.000 -0.221 -0.122) 0.253 10.668 ( 0.000 -0.881 -0.728) 1.143 10.681 ( 0.000 -0.826 -2.044) 2.205 10.811 ( 0.000 -0.476 0.765) 0.901 10.820 ( 0.000 -0.502 -0.514) 0.719 10.919 ( 0.000 -0.859 -0.193) 0.881 10.921 ( 0.000 -1.246 -0.686) 1.423 10.995 ( 0.000 0.127 -0.470) 0.487 11.048 ( 0.000 -0.501 -0.973) 1.094 11.177 ( 0.000 1.920 3.007) 3.568 11.197 ( 0.000 1.034 2.251) 2.478 11.308 ( 0.000 3.476 -0.300) 3.489 11.333 ( 0.000 3.483 -0.365) 3.502 16.078 ( 0.000 -0.206 0.066) 0.216 16.087 ( 0.000 -0.843 -0.185) 0.863 16.094 ( 0.000 -0.701 0.210) 0.732 16.099 ( 0.000 -0.400 0.153) 0.428 23.358 ( 0.000 1.694 -1.766) 2.447 23.520 ( 0.000 -3.580 -3.675) 5.131 23.570 ( 0.000 -1.480 6.542) 6.708 23.775 ( 0.000 -5.572 -0.559) 5.600 24.044 ( 0.000 4.941 0.636) 4.982 24.074 ( 0.000 4.632 -0.380) 4.648 24.297 ( 0.000 1.526 1.777) 2.342 24.409 ( 0.000 -0.606 -2.171) 2.254 24.562 ( 0.000 -1.745 3.846) 4.223 24.807 ( 0.000 -7.872 -3.112) 8.465 25.015 ( 0.000 5.533 4.392) 7.064 25.414 ( 0.000 -3.907 -5.639) 6.861 ======================= Grid point 85 (34/60) ======================= q-point: ( 0.17 0.33 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 6.405 12.223 3.551) 14.250 1.212 ( 2.185 15.486 5.481) 16.572 1.502 ( 1.856 3.369 -2.638) 4.664 1.581 ( 5.817 0.873 -3.942) 7.081 1.641 ( 0.036 -0.909 2.285) 2.459 1.748 ( -0.467 2.329 -0.238) 2.388 1.805 ( 3.180 3.586 -3.356) 5.851 1.849 ( 0.393 2.340 -3.469) 4.203 1.865 ( 3.128 -1.447 1.338) 3.697 1.965 ( 0.246 0.223 0.454) 0.562 2.031 ( 4.138 0.465 1.817) 4.544 2.053 ( -0.057 2.090 1.744) 2.723 2.133 ( 1.014 1.469 -1.870) 2.585 2.173 ( 2.365 1.277 -1.543) 3.099 2.191 ( 2.995 0.612 -0.564) 3.108 2.226 ( 2.922 0.161 0.703) 3.010 2.269 ( 1.600 -0.447 -0.334) 1.695 2.306 ( 1.109 4.970 -0.521) 5.119 2.370 ( -1.024 3.616 2.122) 4.316 2.475 ( -2.379 2.760 -0.457) 3.673 2.486 ( 0.812 4.349 3.228) 5.477 2.526 ( -0.774 -0.456 -2.041) 2.230 2.603 ( -1.210 5.102 -0.314) 5.253 2.642 ( 0.213 -0.687 -0.844) 1.109 2.692 ( 1.551 2.749 1.752) 3.610 2.762 ( 1.117 2.226 5.315) 5.870 2.887 ( -0.300 -4.751 -2.794) 5.520 2.975 ( -1.861 3.737 1.837) 4.561 3.101 ( -1.131 -4.815 -1.082) 5.062 3.175 ( 2.578 -0.834 -3.117) 4.131 3.221 ( 1.958 1.344 -0.928) 2.550 3.315 ( -3.962 -5.156 -2.937) 7.135 3.398 ( -3.837 0.714 -4.145) 5.693 3.422 ( -0.711 0.471 -4.758) 4.833 3.508 ( -3.608 2.227 0.014) 4.240 3.524 ( -1.464 0.777 -0.515) 1.735 3.598 ( 0.232 2.396 1.233) 2.704 3.665 ( -1.191 -1.360 -0.721) 1.946 3.772 ( -2.031 2.064 3.014) 4.180 3.818 ( -1.845 0.622 0.825) 2.114 3.997 ( 1.406 5.281 -0.312) 5.474 4.022 ( 3.072 5.964 -0.693) 6.744 4.138 ( 1.238 -0.697 1.856) 2.338 4.185 ( 0.108 4.888 3.931) 6.273 4.278 ( -0.055 2.604 -0.018) 2.604 4.362 ( 0.977 -5.471 1.392) 5.729 4.409 ( 1.669 -3.334 4.753) 6.041 4.979 ( -0.377 -15.743 -4.140) 16.283 7.215 ( 2.038 -0.308 -0.182) 2.069 7.256 ( 2.790 -1.764 -0.807) 3.398 7.364 ( 0.823 -1.245 1.072) 1.838 7.430 ( 1.000 -2.978 -0.976) 3.290 7.543 ( 0.406 5.112 0.733) 5.180 7.596 ( 0.022 5.372 -0.572) 5.402 7.671 ( 0.309 1.697 0.804) 1.903 7.750 ( -1.666 0.050 -0.145) 1.673 10.671 ( 0.420 -0.670 -0.624) 1.007 10.691 ( 0.730 -1.128 -1.542) 2.045 10.804 ( -0.795 -0.385 1.503) 1.743 10.825 ( 0.345 -0.808 -0.504) 1.013 10.904 ( -1.594 -0.793 -0.271) 1.801 10.927 ( 0.648 -0.933 0.026) 1.136 10.967 ( -2.232 0.152 -0.926) 2.421 11.036 ( -1.022 -1.145 -1.258) 1.984 11.147 ( -2.658 1.916 2.037) 3.858 11.168 ( -1.675 1.225 2.043) 2.912 11.272 ( -2.755 3.824 -0.257) 4.720 11.302 ( -2.792 3.217 -0.340) 4.273 16.081 ( 0.285 -0.043 0.061) 0.294 16.086 ( 0.116 -0.492 -0.021) 0.506 16.106 ( 0.821 -0.878 0.075) 1.204 16.109 ( 0.729 -0.693 0.121) 1.013 23.372 ( 1.239 1.529 -0.983) 2.199 23.520 ( -0.527 -1.733 0.384) 1.851 23.575 ( 0.955 -3.058 1.902) 3.726 23.743 ( -2.617 -5.751 -0.331) 6.327 24.010 ( -1.839 4.105 -0.226) 4.504 24.044 ( -0.927 3.772 -1.416) 4.134 24.265 ( -2.121 4.484 3.257) 5.934 24.551 ( 6.947 5.047 -4.892) 9.882 24.610 ( 4.258 -7.664 3.188) 9.328 24.890 ( 7.568 -7.016 -2.916) 10.724 24.970 ( -2.986 5.766 6.833) 9.427 25.407 ( -0.682 -5.397 -4.917) 7.333 ======================= Grid point 86 (35/60) ======================= q-point: ( 0.33 0.33 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 6.978 12.441 4.599) 14.988 1.352 ( 8.993 8.908 1.857) 12.793 1.549 ( 1.818 3.283 -1.048) 3.896 1.598 ( -2.377 1.031 2.141) 3.361 1.703 ( 1.940 1.389 -2.038) 3.138 1.724 ( -1.399 1.312 -0.845) 2.096 1.846 ( 0.842 2.363 -4.968) 5.565 1.877 ( 1.554 2.430 -6.246) 6.880 1.901 ( 0.169 -4.815 -0.115) 4.819 1.952 ( -1.513 -0.216 -1.181) 1.932 2.067 ( 2.048 1.949 -0.197) 2.834 2.099 ( 1.165 2.053 1.512) 2.803 2.142 ( -0.183 0.077 -1.851) 1.861 2.198 ( 1.080 1.317 0.435) 1.758 2.228 ( 0.392 1.325 -0.648) 1.526 2.283 ( 0.898 1.652 1.258) 2.262 2.315 ( -0.029 -2.891 -0.635) 2.960 2.345 ( -3.093 1.429 -0.131) 3.409 2.423 ( 8.344 4.175 2.559) 9.675 2.452 ( 4.188 2.024 1.940) 5.040 2.506 ( 1.279 5.168 -0.808) 5.385 2.539 ( 2.731 0.026 -0.828) 2.853 2.617 ( 2.354 3.949 -0.189) 4.601 2.676 ( 1.619 1.770 0.588) 2.469 2.689 ( -1.015 4.011 0.499) 4.167 2.835 ( 4.475 7.650 2.043) 9.095 2.841 ( -3.433 -1.010 -1.702) 3.962 2.936 ( -1.094 2.147 1.134) 2.663 3.056 ( -3.351 1.379 -0.353) 3.641 3.212 ( -4.040 0.036 0.126) 4.042 3.241 ( 2.481 0.668 1.520) 2.986 3.277 ( 1.560 -1.157 0.285) 1.963 3.327 ( -2.340 -1.872 -1.336) 3.281 3.403 ( -1.848 0.213 0.668) 1.977 3.432 ( -1.402 0.077 -4.268) 4.493 3.485 ( -2.159 -0.563 -1.142) 2.506 3.607 ( 0.816 0.749 0.885) 1.418 3.650 ( 0.110 -2.973 -1.826) 3.490 3.723 ( -2.682 0.941 1.255) 3.107 3.739 ( -4.051 -0.983 1.230) 4.346 4.027 ( 1.519 4.769 1.384) 5.193 4.084 ( 1.950 6.485 0.784) 6.817 4.133 ( -1.538 4.598 1.335) 5.029 4.167 ( -0.938 1.675 0.949) 2.142 4.311 ( 2.278 2.531 0.953) 3.536 4.376 ( -0.199 -2.473 7.046) 7.470 4.523 ( 8.496 -8.150 -4.248) 12.516 4.911 ( -6.112 -14.352 -4.434) 16.217 7.268 ( 2.721 -0.492 0.272) 2.778 7.323 ( 2.399 -1.734 -0.985) 3.119 7.382 ( 0.969 -2.617 1.912) 3.383 7.443 ( -0.197 -3.203 -0.367) 3.230 7.563 ( 1.615 5.218 0.449) 5.481 7.604 ( 0.968 5.164 -0.585) 5.287 7.668 ( -0.834 2.250 -0.633) 2.482 7.701 ( -2.598 1.150 -0.106) 2.843 10.685 ( 0.804 -0.538 0.053) 0.969 10.710 ( 0.946 -1.090 -0.688) 1.599 10.772 ( -1.997 -0.869 2.153) 3.063 10.815 ( -1.931 -1.964 0.087) 2.756 10.878 ( 0.125 0.349 -0.547) 0.661 10.917 ( -1.781 -0.014 -1.421) 2.279 10.940 ( 0.251 -0.882 0.258) 0.953 11.004 ( -2.072 -1.825 -0.349) 2.783 11.103 ( -0.552 2.579 1.244) 2.916 11.146 ( 0.001 1.539 -0.533) 1.629 11.214 ( -2.319 3.223 -0.073) 3.971 11.225 ( -3.893 2.824 -0.189) 4.813 16.088 ( 0.354 0.096 0.057) 0.372 16.091 ( 0.233 -0.141 0.040) 0.275 16.123 ( 0.639 -0.995 0.046) 1.183 16.124 ( 0.575 -0.992 0.076) 1.149 23.409 ( 2.147 1.165 0.665) 2.531 23.496 ( -1.469 0.035 2.994) 3.336 23.603 ( 1.252 -4.007 -1.239) 4.377 23.681 ( -2.763 -5.118 -0.167) 5.819 24.009 ( 1.703 3.965 -0.682) 4.368 24.078 ( 4.247 3.169 -3.139) 6.159 24.197 ( -3.587 5.654 2.455) 7.132 24.494 ( -8.524 0.398 -7.334) 11.252 24.797 ( 8.473 -0.804 3.697) 9.280 24.941 ( 0.129 4.246 8.214) 9.248 25.094 ( 9.936 -6.435 -2.076) 12.018 25.376 ( -2.570 -7.024 -3.500) 8.257 ======================= Grid point 87 (36/60) ======================= q-point: (-0.50 0.33 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( -5.806 6.357 3.050) 9.134 1.475 ( 5.806 6.357 3.050) 9.134 1.534 ( -4.795 6.049 0.926) 7.774 1.534 ( 4.795 6.049 0.926) 7.774 1.704 ( -1.007 1.495 -2.064) 2.741 1.704 ( 1.007 1.495 -2.064) 2.741 1.875 ( -1.368 1.721 -4.873) 5.345 1.875 ( 1.368 1.721 -4.873) 5.345 1.914 ( -1.494 -1.185 -1.712) 2.562 1.914 ( 1.494 -1.185 -1.712) 2.562 2.107 ( -0.656 2.847 -0.163) 2.926 2.107 ( 0.656 2.847 -0.163) 2.926 2.170 ( -3.455 -0.984 -0.394) 3.614 2.170 ( 3.455 -0.984 -0.394) 3.614 2.266 ( -3.030 0.584 0.340) 3.104 2.266 ( 3.030 0.584 0.340) 3.104 2.301 ( -0.651 -1.596 -1.085) 2.037 2.301 ( 0.651 -1.596 -1.085) 2.037 2.499 ( -0.671 0.501 -0.628) 1.047 2.499 ( 0.671 0.501 -0.628) 1.047 2.576 ( -2.630 2.181 2.279) 4.107 2.576 ( 2.630 2.181 2.279) 4.107 2.682 ( -2.063 2.346 0.674) 3.196 2.682 ( 2.063 2.346 0.674) 3.196 2.744 ( -6.073 4.818 -0.476) 7.767 2.744 ( 6.073 4.818 -0.476) 7.767 2.892 ( -3.083 7.361 -1.286) 8.083 2.892 ( 3.083 7.361 -1.286) 8.083 3.086 ( -6.406 2.878 3.625) 7.904 3.086 ( 6.406 2.878 3.625) 7.904 3.268 ( -0.811 0.128 -0.318) 0.880 3.268 ( 0.811 0.128 -0.318) 0.880 3.357 ( -3.288 -2.325 1.124) 4.181 3.357 ( 3.288 -2.325 1.124) 4.181 3.438 ( -1.759 -1.071 -1.177) 2.372 3.438 ( 1.759 -1.071 -1.177) 2.372 3.643 ( -2.220 0.392 -0.474) 2.303 3.643 ( 2.220 0.392 -0.474) 2.303 3.684 ( -1.521 -2.763 -0.154) 3.158 3.684 ( 1.521 -2.763 -0.154) 3.158 4.067 ( -2.157 4.738 1.789) 5.505 4.067 ( 2.157 4.738 1.789) 5.505 4.142 ( -1.414 4.439 0.203) 4.663 4.142 ( 1.414 4.439 0.203) 4.663 4.354 ( -1.602 0.181 3.644) 3.985 4.354 ( 1.602 0.181 3.644) 3.985 4.731 ( -9.791 -11.509 -4.492) 15.764 4.731 ( 9.791 -11.509 -4.492) 15.764 7.322 ( -1.928 -0.839 0.775) 2.241 7.322 ( 1.928 -0.839 0.775) 2.241 7.419 ( -1.871 -3.375 -0.148) 3.862 7.419 ( 1.871 -3.375 -0.148) 3.862 7.610 ( -1.975 4.143 -0.100) 4.591 7.610 ( 1.975 4.143 -0.100) 4.591 7.655 ( -1.227 2.989 -0.518) 3.273 7.655 ( 1.227 2.989 -0.518) 3.273 10.708 ( -1.248 -0.291 0.868) 1.547 10.708 ( 1.248 -0.291 0.868) 1.547 10.765 ( -1.867 -2.125 0.226) 2.838 10.765 ( 1.867 -2.125 0.226) 2.838 10.893 ( -0.749 0.314 -0.911) 1.220 10.893 ( 0.749 0.314 -0.911) 1.220 10.956 ( -1.722 -1.430 0.292) 2.258 10.956 ( 1.722 -1.430 0.292) 2.258 11.134 ( -2.643 2.909 -0.004) 3.930 11.134 ( 2.643 2.909 -0.004) 3.930 11.176 ( -1.029 1.912 -0.469) 2.221 11.176 ( 1.029 1.912 -0.469) 2.221 16.093 ( -0.052 0.064 0.058) 0.101 16.093 ( 0.052 0.064 0.058) 0.101 16.131 ( -0.035 -1.066 0.046) 1.068 16.131 ( 0.035 -1.066 0.046) 1.068 23.457 ( -2.108 0.763 2.249) 3.176 23.457 ( 2.108 0.763 2.249) 3.176 23.632 ( -1.710 -4.300 -0.732) 4.685 23.632 ( 1.710 -4.300 -0.732) 4.685 24.074 ( -3.909 5.352 -0.288) 6.634 24.074 ( 3.909 5.352 -0.288) 6.634 24.276 ( -9.889 1.079 -4.572) 10.949 24.276 ( 9.889 1.079 -4.572) 10.949 24.922 ( -2.911 1.916 5.657) 6.644 24.922 ( 2.911 1.916 5.657) 6.644 25.279 ( -6.637 -6.882 -2.367) 9.849 25.279 ( 6.637 -6.882 -2.367) 9.849 ======================= Grid point 91 (37/60) ======================= q-point: ( 0.00 0.44 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( 0.000 10.364 1.522) 10.475 1.434 ( 0.000 5.503 0.757) 5.554 1.522 ( 0.000 0.600 -0.202) 0.634 1.523 ( 0.000 -2.154 -0.660) 2.253 1.590 ( 0.000 3.160 2.639) 4.117 1.723 ( 0.000 -7.270 2.514) 7.692 1.844 ( 0.000 3.526 -0.437) 3.553 1.877 ( 0.000 4.435 -2.709) 5.197 1.917 ( 0.000 2.247 -0.584) 2.321 1.980 ( 0.000 2.317 0.074) 2.318 1.993 ( 0.000 3.791 -0.797) 3.874 2.033 ( 0.000 -5.480 -1.680) 5.732 2.058 ( 0.000 -5.876 -2.168) 6.263 2.089 ( 0.000 -4.404 -3.333) 5.523 2.121 ( 0.000 3.845 2.406) 4.536 2.182 ( 0.000 -2.441 0.985) 2.632 2.321 ( 0.000 3.731 -2.100) 4.281 2.340 ( 0.000 1.105 -2.419) 2.659 2.487 ( 0.000 1.879 -4.663) 5.028 2.492 ( 0.000 0.016 -5.214) 5.214 2.559 ( 0.000 4.862 1.285) 5.029 2.589 ( 0.000 1.507 2.612) 3.016 2.636 ( 0.000 -3.099 3.539) 4.704 2.647 ( 0.000 -1.126 2.762) 2.983 2.745 ( 0.000 1.480 4.851) 5.072 2.770 ( 0.000 2.990 -0.897) 3.122 2.900 ( 0.000 10.113 1.780) 10.269 2.970 ( 0.000 -2.427 3.370) 4.153 3.004 ( 0.000 -5.220 2.916) 5.979 3.097 ( 0.000 -8.082 0.973) 8.140 3.197 ( 0.000 0.810 -3.338) 3.435 3.234 ( 0.000 -3.904 -5.020) 6.360 3.446 ( 0.000 0.222 -6.885) 6.888 3.452 ( 0.000 -0.580 -7.180) 7.204 3.565 ( 0.000 1.227 0.030) 1.227 3.578 ( 0.000 0.186 -0.862) 0.882 3.688 ( 0.000 2.614 1.176) 2.866 3.694 ( 0.000 1.301 1.393) 1.906 3.829 ( 0.000 1.136 2.892) 3.107 3.841 ( 0.000 0.222 2.726) 2.735 4.017 ( 0.000 1.114 -3.003) 3.202 4.032 ( 0.000 0.328 -3.736) 3.750 4.175 ( 0.000 3.687 4.804) 6.055 4.255 ( 0.000 -4.771 5.894) 7.583 4.329 ( 0.000 9.269 0.986) 9.321 4.342 ( 0.000 2.196 -0.063) 2.197 4.385 ( 0.000 4.088 1.991) 4.547 4.657 ( 0.000 -17.202 -1.295) 17.250 7.190 ( 0.000 0.313 -0.218) 0.381 7.202 ( 0.000 -0.912 -0.285) 0.956 7.344 ( 0.000 0.248 -0.579) 0.630 7.367 ( 0.000 -2.109 -1.003) 2.335 7.623 ( 0.000 3.502 0.785) 3.589 7.662 ( 0.000 -0.066 0.522) 0.526 7.698 ( 0.000 3.131 0.376) 3.154 7.750 ( 0.000 -1.857 -0.149) 1.863 10.661 ( 0.000 0.067 -0.856) 0.858 10.668 ( 0.000 -0.591 -1.350) 1.473 10.807 ( 0.000 -0.002 0.212) 0.212 10.811 ( 0.000 -0.418 -0.339) 0.538 10.906 ( 0.000 -0.344 -0.204) 0.400 10.907 ( 0.000 -0.399 -0.109) 0.413 11.006 ( 0.000 1.022 -0.925) 1.379 11.029 ( 0.000 -1.301 -1.151) 1.737 11.202 ( 0.000 0.808 2.501) 2.629 11.208 ( 0.000 0.151 2.256) 2.261 11.365 ( 0.000 2.058 0.017) 2.058 11.377 ( 0.000 0.915 -0.062) 0.917 16.073 ( 0.000 -0.183 -0.230) 0.294 16.075 ( 0.000 -0.377 -0.223) 0.438 16.088 ( 0.000 0.046 0.428) 0.430 16.092 ( 0.000 -0.328 0.299) 0.444 23.404 ( 0.000 2.878 -2.983) 4.145 23.459 ( 0.000 -2.920 -3.255) 4.373 23.572 ( 0.000 2.158 3.907) 4.464 23.655 ( 0.000 -6.159 0.889) 6.223 24.119 ( 0.000 2.598 0.482) 2.642 24.131 ( 0.000 1.302 -0.110) 1.307 24.328 ( 0.000 1.934 2.493) 3.155 24.373 ( 0.000 -2.701 1.319) 3.006 24.576 ( 0.000 3.068 -0.033) 3.068 24.668 ( 0.000 -6.387 -1.913) 6.667 25.159 ( 0.000 8.559 1.258) 8.651 25.310 ( 0.000 -6.981 -2.300) 7.350 ======================= Grid point 92 (38/60) ======================= q-point: ( 0.17 0.44 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( 4.107 9.025 1.329) 10.004 1.465 ( 2.826 8.077 1.933) 8.773 1.530 ( 1.794 -0.634 0.286) 1.924 1.581 ( 2.534 1.558 -1.937) 3.550 1.604 ( 2.695 -1.356 2.031) 3.637 1.722 ( 0.144 -8.460 2.607) 8.853 1.812 ( -1.414 3.577 0.106) 3.848 1.873 ( -1.517 -1.542 -0.138) 2.168 1.926 ( 2.292 5.707 -4.541) 7.645 1.991 ( -0.146 4.749 -2.464) 5.353 2.041 ( 2.731 -2.052 -1.377) 3.683 2.068 ( 2.608 -1.405 -1.867) 3.502 2.118 ( 1.706 -3.169 -2.518) 4.393 2.128 ( 4.440 -3.081 -0.689) 5.448 2.169 ( 3.317 0.245 0.818) 3.425 2.222 ( 4.441 -1.731 0.860) 4.843 2.311 ( 0.246 5.251 -3.313) 6.214 2.365 ( 2.008 1.343 -3.430) 4.195 2.442 ( -3.224 1.447 -0.262) 3.543 2.470 ( -1.985 -1.222 -1.314) 2.675 2.571 ( -0.805 3.445 3.515) 4.987 2.594 ( 1.874 3.138 -0.288) 3.666 2.611 ( 0.295 -0.795 2.264) 2.418 2.652 ( -3.483 -2.861 1.924) 4.900 2.748 ( 2.256 4.461 -1.058) 5.110 2.787 ( 2.280 2.128 0.893) 3.244 2.930 ( 2.733 6.762 3.349) 8.025 2.997 ( 1.093 -4.010 2.938) 5.089 3.012 ( 0.892 -0.181 2.051) 2.244 3.101 ( 1.403 -6.846 0.422) 7.001 3.217 ( 1.391 -1.212 0.772) 2.000 3.224 ( -0.669 -2.350 -2.833) 3.741 3.408 ( -3.148 0.585 -5.817) 6.640 3.421 ( -1.759 -0.560 -6.308) 6.573 3.541 ( -2.188 0.914 -1.433) 2.771 3.548 ( -3.316 0.676 -2.007) 3.935 3.639 ( -2.830 1.939 2.237) 4.095 3.658 ( -2.520 -0.064 1.918) 3.168 3.811 ( -2.405 1.591 2.510) 3.823 3.827 ( -2.447 -0.004 1.849) 3.067 4.068 ( 2.988 0.723 -1.503) 3.422 4.072 ( 3.418 1.138 -2.714) 4.510 4.165 ( 0.736 3.131 1.958) 3.766 4.225 ( -1.340 -2.617 2.869) 4.108 4.324 ( -0.217 3.069 0.609) 3.136 4.368 ( 0.180 -1.512 2.279) 2.741 4.401 ( 2.277 10.726 1.704) 11.096 4.674 ( 0.620 -16.192 -1.164) 16.246 7.215 ( 2.070 0.356 -0.328) 2.126 7.229 ( 2.339 -1.087 -0.490) 2.626 7.352 ( 0.522 0.228 0.049) 0.572 7.376 ( 0.676 -2.292 -0.608) 2.465 7.629 ( 0.570 3.668 0.656) 3.770 7.672 ( 0.775 -0.188 0.149) 0.811 7.691 ( -0.547 2.906 0.051) 2.957 7.738 ( -1.025 -1.491 -0.241) 1.825 10.666 ( 0.518 0.109 -0.673) 0.856 10.674 ( 0.557 -0.670 -1.060) 1.372 10.802 ( -0.654 0.152 0.765) 1.018 10.810 ( -0.275 -0.678 -0.038) 0.732 10.899 ( -0.651 0.233 0.158) 0.709 10.910 ( 0.138 -0.806 0.237) 0.851 10.980 ( -1.995 1.181 -1.428) 2.723 11.008 ( -1.658 -1.631 -1.470) 2.751 11.175 ( -2.135 0.951 2.009) 3.082 11.182 ( -1.746 0.204 1.900) 2.589 11.331 ( -2.864 1.996 -0.035) 3.491 11.342 ( -2.985 0.860 -0.139) 3.109 16.079 ( 0.491 -0.035 -0.138) 0.511 16.081 ( 0.544 -0.181 -0.209) 0.610 16.094 ( 0.484 -0.155 0.378) 0.634 16.098 ( 0.485 -0.451 0.238) 0.704 23.417 ( 1.115 3.033 -2.394) 4.021 23.476 ( 1.385 -3.001 -2.991) 4.458 23.557 ( -1.078 1.624 3.522) 4.026 23.629 ( -1.971 -5.565 1.122) 6.009 24.071 ( -2.262 2.172 -0.883) 3.258 24.086 ( -1.861 0.681 -1.472) 2.468 24.354 ( 0.509 5.114 4.030) 6.531 24.466 ( 2.941 -6.839 4.039) 8.469 24.649 ( 7.505 5.230 -3.569) 9.819 24.758 ( 8.051 -6.393 -3.009) 10.712 25.125 ( -2.503 9.044 2.737) 9.775 25.285 ( -1.964 -7.564 -1.403) 7.940 ======================= Grid point 93 (39/60) ======================= q-point: ( 0.33 0.44 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 5.466 5.656 0.975) 7.926 1.534 ( 2.972 7.311 2.470) 8.270 1.581 ( 1.834 1.136 2.481) 3.288 1.619 ( 1.740 2.375 0.605) 3.006 1.688 ( 3.288 -2.272 -0.784) 4.073 1.741 ( 1.105 -2.906 -0.569) 3.161 1.800 ( 1.301 -0.848 1.454) 2.127 1.859 ( -0.213 -2.767 -1.036) 2.962 1.968 ( 1.353 5.131 -4.829) 7.174 1.980 ( -0.634 5.724 -5.232) 7.780 2.074 ( 0.943 -4.096 -3.827) 5.685 2.096 ( 0.147 -4.234 -4.121) 5.910 2.157 ( -0.268 2.298 -1.148) 2.583 2.171 ( 1.206 -1.204 -1.538) 2.295 2.216 ( -0.470 0.691 -1.093) 1.376 2.260 ( -1.996 -2.733 -1.960) 3.911 2.355 ( 0.883 2.361 -2.597) 3.619 2.385 ( -1.605 5.070 -0.849) 5.385 2.407 ( 3.050 -2.999 -0.456) 4.302 2.478 ( 0.837 -2.522 0.147) 2.662 2.539 ( 0.501 2.553 4.775) 5.438 2.583 ( 2.136 0.041 3.404) 4.019 2.653 ( 1.483 -0.531 4.011) 4.309 2.659 ( 1.775 0.457 2.109) 2.794 2.808 ( 3.268 5.687 -2.208) 6.920 2.868 ( 3.800 2.036 -1.500) 4.565 2.974 ( -2.439 2.783 1.743) 4.091 2.991 ( 2.372 3.245 3.934) 5.624 3.059 ( 2.956 2.129 1.347) 3.884 3.161 ( 4.087 -5.807 1.268) 7.213 3.219 ( 0.461 0.018 1.046) 1.144 3.258 ( 2.155 -2.364 1.684) 3.615 3.337 ( -3.076 2.823 -3.532) 5.468 3.392 ( -0.996 -2.270 -4.112) 4.802 3.443 ( -5.512 1.727 -1.673) 6.013 3.470 ( -4.238 -1.042 -1.890) 4.756 3.609 ( 0.244 0.094 0.886) 0.924 3.619 ( -0.612 -0.736 0.661) 1.163 3.730 ( -4.658 0.308 1.908) 5.043 3.737 ( -4.661 -0.079 1.930) 5.046 4.102 ( 1.452 3.180 1.034) 3.645 4.142 ( 2.131 -0.563 -0.234) 2.216 4.196 ( 0.578 2.100 -0.157) 2.184 4.202 ( -1.882 1.683 0.774) 2.641 4.351 ( 2.330 1.075 1.620) 3.035 4.400 ( 4.568 -4.309 -1.248) 6.403 4.433 ( 0.210 8.695 1.348) 8.801 4.649 ( -3.267 -13.110 -1.265) 13.570 7.269 ( 2.676 0.604 -0.199) 2.750 7.290 ( 3.020 -1.602 -0.707) 3.491 7.356 ( -0.413 0.074 0.837) 0.936 7.383 ( -0.378 -2.632 -0.064) 2.660 7.648 ( 1.139 3.485 0.194) 3.672 7.682 ( -0.151 2.599 -0.546) 2.660 7.688 ( 0.423 -0.257 -0.307) 0.583 7.711 ( -1.316 -0.340 -0.288) 1.389 10.682 ( 0.968 0.208 -0.080) 0.993 10.692 ( 1.149 -0.758 -0.397) 1.433 10.768 ( -2.477 0.382 1.670) 3.012 10.784 ( -2.286 -1.275 0.869) 2.758 10.889 ( 0.177 0.802 -0.315) 0.879 10.907 ( -0.160 -0.978 -0.388) 1.064 10.942 ( -1.434 1.031 -0.803) 1.940 10.969 ( -1.954 -1.740 -0.704) 2.709 11.144 ( 0.006 1.626 0.864) 1.842 11.160 ( 0.244 -0.064 0.229) 0.341 11.259 ( -3.478 1.352 -0.078) 3.733 11.263 ( -3.905 0.984 -0.232) 4.034 16.091 ( 0.537 0.271 -0.001) 0.601 16.094 ( 0.484 0.276 -0.067) 0.561 16.105 ( 0.459 -0.636 0.209) 0.812 16.109 ( 0.366 -0.696 0.119) 0.795 23.449 ( 1.789 2.950 -0.793) 3.540 23.504 ( 0.727 -0.896 -0.786) 1.396 23.538 ( -0.479 -0.953 1.369) 1.736 23.587 ( -1.783 -4.369 0.978) 4.819 24.070 ( 2.425 2.532 -1.428) 3.786 24.101 ( 3.675 -0.490 -2.449) 4.443 24.302 ( -5.029 5.737 1.495) 7.774 24.417 ( -6.462 -6.209 -1.292) 9.055 24.856 ( 9.502 5.342 -0.118) 10.901 24.965 ( 9.574 -5.684 -1.781) 11.276 25.080 ( -1.545 7.930 4.552) 9.274 25.236 ( -2.748 -7.933 -0.067) 8.396 ======================= Grid point 94 (40/60) ======================= q-point: (-0.50 0.44 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( -1.009 3.751 1.941) 4.342 1.570 ( 1.009 3.751 1.941) 4.342 1.613 ( -2.100 0.375 2.080) 2.979 1.613 ( 2.100 0.375 2.080) 2.979 1.745 ( -1.013 4.514 -0.445) 4.648 1.745 ( 1.013 4.514 -0.445) 4.648 1.843 ( -1.482 -4.002 -1.125) 4.414 1.843 ( 1.482 -4.002 -1.125) 4.414 1.977 ( -0.334 5.876 -5.273) 7.902 1.977 ( 0.334 5.876 -5.273) 7.902 2.092 ( -0.806 -5.049 -4.222) 6.631 2.092 ( 0.806 -5.049 -4.222) 6.631 2.163 ( -2.428 1.401 -2.463) 3.732 2.163 ( 2.428 1.401 -2.463) 3.732 2.200 ( -2.317 -2.999 -3.295) 5.022 2.200 ( 2.317 -2.999 -3.295) 5.022 2.368 ( -0.260 4.546 0.383) 4.569 2.368 ( 0.260 4.546 0.383) 4.569 2.457 ( -1.143 -4.433 -0.173) 4.582 2.457 ( 1.143 -4.433 -0.173) 4.582 2.610 ( -2.261 2.943 5.053) 6.269 2.610 ( 2.261 2.943 5.053) 6.269 2.671 ( -0.922 -2.581 3.575) 4.505 2.671 ( 0.922 -2.581 3.575) 4.505 2.877 ( -2.619 7.417 0.110) 7.867 2.877 ( 2.619 7.417 0.110) 7.867 2.974 ( -2.706 -1.149 0.325) 2.958 2.974 ( 2.706 -1.149 0.325) 2.958 3.176 ( -5.232 5.956 -0.114) 7.929 3.176 ( 5.232 5.956 -0.114) 7.929 3.253 ( -1.928 -1.907 0.627) 2.783 3.253 ( 1.928 -1.907 0.627) 2.783 3.340 ( -3.859 0.897 -0.158) 3.965 3.340 ( 3.859 0.897 -0.158) 3.965 3.389 ( -1.933 -3.518 -1.509) 4.288 3.389 ( 1.933 -3.518 -1.509) 4.288 3.640 ( -2.174 -0.080 0.641) 2.268 3.640 ( 2.174 -0.080 0.641) 2.268 3.651 ( -2.601 -1.012 1.202) 3.039 3.651 ( 2.601 -1.012 1.202) 3.039 4.146 ( -2.437 3.268 0.874) 4.169 4.146 ( 2.437 3.268 0.874) 4.169 4.181 ( -1.373 -0.189 0.223) 1.404 4.181 ( 1.373 -0.189 0.223) 1.404 4.405 ( -2.344 5.082 0.950) 5.676 4.405 ( 2.344 5.082 0.950) 5.676 4.538 ( -6.503 -8.748 -1.675) 11.028 4.538 ( 6.503 -8.748 -1.675) 11.028 7.321 ( -1.739 0.822 0.220) 1.936 7.321 ( 1.739 0.822 0.220) 1.936 7.356 ( -1.843 -2.796 -0.088) 3.350 7.356 ( 1.843 -2.796 -0.088) 3.350 7.674 ( -1.040 2.359 -0.252) 2.590 7.674 ( 1.040 2.359 -0.252) 2.590 7.692 ( -0.280 0.567 -0.478) 0.793 7.692 ( 0.280 0.567 -0.478) 0.793 10.711 ( -1.543 0.647 0.803) 1.856 10.711 ( 1.543 0.647 0.803) 1.856 10.731 ( -1.780 -1.413 0.578) 2.345 10.731 ( 1.780 -1.413 0.578) 2.345 10.906 ( -0.926 0.970 -0.534) 1.443 10.906 ( 0.926 0.970 -0.534) 1.443 10.928 ( -1.286 -1.385 -0.105) 1.893 10.928 ( 1.286 -1.385 -0.105) 1.893 11.180 ( -2.437 1.736 -0.088) 2.993 11.180 ( 2.437 1.736 -0.088) 2.993 11.196 ( -1.875 0.106 -0.247) 1.894 11.196 ( 1.875 0.106 -0.247) 1.894 16.098 ( -0.083 0.498 0.067) 0.509 16.098 ( 0.083 0.498 0.067) 0.509 16.112 ( -0.098 -0.882 0.059) 0.890 16.112 ( 0.098 -0.882 0.059) 0.890 23.489 ( -1.670 2.566 0.950) 3.205 23.489 ( 1.670 2.566 0.950) 3.205 23.552 ( -1.427 -3.974 -0.130) 4.224 23.552 ( 1.427 -3.974 -0.130) 4.224 24.166 ( -5.554 4.500 -1.114) 7.234 24.166 ( 5.554 4.500 -1.114) 7.234 24.244 ( -7.829 -3.537 -2.744) 9.019 24.244 ( 7.829 -3.537 -2.744) 9.019 25.013 ( -4.579 6.667 2.922) 8.600 25.013 ( 4.579 6.667 2.922) 8.600 25.147 ( -5.899 -7.131 -0.055) 9.255 25.147 ( 5.899 -7.131 -0.055) 9.255 ======================= Grid point 126 (41/60) ======================= q-point: ( 0.00 0.00 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( 0.000 0.000 16.802) 16.802 0.789 ( 0.000 0.000 17.930) 17.930 1.017 ( 0.000 0.000 -14.563) 14.563 1.077 ( 0.000 0.000 -7.928) 7.928 1.337 ( 0.000 0.000 20.070) 20.070 1.657 ( 0.000 0.000 -10.046) 10.046 1.699 ( 0.000 0.000 1.583) 1.583 1.720 ( 0.000 0.000 -0.452) 0.452 1.747 ( 0.000 0.000 6.085) 6.085 1.883 ( 0.000 0.000 -5.308) 5.308 1.951 ( 0.000 0.000 4.735) 4.735 2.013 ( 0.000 0.000 -0.382) 0.382 2.056 ( 0.000 0.000 5.574) 5.574 2.067 ( 0.000 0.000 4.208) 4.208 2.144 ( 0.000 0.000 -3.125) 3.125 2.162 ( 0.000 0.000 -5.195) 5.195 2.227 ( 0.000 0.000 1.808) 1.808 2.304 ( 0.000 0.000 -7.107) 7.107 2.305 ( 0.000 0.000 -0.804) 0.804 2.323 ( 0.000 0.000 -1.733) 1.733 2.403 ( 0.000 0.000 3.329) 3.329 2.446 ( 0.000 0.000 -0.979) 0.979 2.449 ( 0.000 0.000 -1.370) 1.370 2.502 ( 0.000 0.000 -6.123) 6.123 2.571 ( 0.000 0.000 5.817) 5.817 2.717 ( 0.000 0.000 -9.472) 9.472 2.837 ( 0.000 0.000 0.233) 0.233 2.842 ( 0.000 0.000 -0.199) 0.199 3.162 ( 0.000 0.000 5.105) 5.105 3.242 ( 0.000 0.000 -2.451) 2.451 3.299 ( 0.000 0.000 1.133) 1.133 3.323 ( 0.000 0.000 -1.290) 1.290 3.366 ( 0.000 0.000 0.687) 0.687 3.406 ( 0.000 0.000 -2.638) 2.638 3.534 ( 0.000 0.000 2.504) 2.504 3.593 ( 0.000 0.000 -3.445) 3.445 3.615 ( 0.000 0.000 4.200) 4.200 3.675 ( 0.000 0.000 2.281) 2.281 3.726 ( 0.000 0.000 2.075) 2.075 3.750 ( 0.000 0.000 1.267) 1.267 3.770 ( 0.000 0.000 -0.654) 0.654 3.852 ( 0.000 0.000 -6.763) 6.763 4.085 ( 0.000 0.000 1.049) 1.049 4.101 ( 0.000 0.000 -0.470) 0.470 4.243 ( 0.000 0.000 3.181) 3.181 4.325 ( 0.000 0.000 -4.966) 4.966 5.136 ( 0.000 0.000 14.948) 14.948 5.402 ( 0.000 0.000 -11.787) 11.787 7.247 ( 0.000 0.000 0.791) 0.791 7.262 ( 0.000 0.000 -0.707) 0.707 7.298 ( 0.000 0.000 1.641) 1.641 7.330 ( 0.000 0.000 -1.474) 1.474 7.463 ( 0.000 0.000 1.278) 1.278 7.488 ( 0.000 0.000 -1.229) 1.229 7.629 ( 0.000 0.000 4.124) 4.124 7.707 ( 0.000 0.000 -3.557) 3.557 10.740 ( 0.000 0.000 -0.563) 0.563 10.743 ( 0.000 0.000 -0.880) 0.880 10.860 ( 0.000 0.000 0.586) 0.586 10.863 ( 0.000 0.000 0.380) 0.380 10.907 ( 0.000 0.000 0.539) 0.539 10.917 ( 0.000 0.000 -0.514) 0.514 11.023 ( 0.000 0.000 0.296) 0.296 11.029 ( 0.000 0.000 -0.294) 0.294 11.040 ( 0.000 0.000 -0.664) 0.664 11.042 ( 0.000 0.000 -0.638) 0.638 11.236 ( 0.000 0.000 2.034) 2.034 11.263 ( 0.000 0.000 -0.737) 0.737 16.098 ( 0.000 0.000 0.604) 0.604 16.109 ( 0.000 0.000 -0.500) 0.500 16.125 ( 0.000 0.000 0.186) 0.186 16.130 ( 0.000 0.000 -0.270) 0.270 23.498 ( 0.000 0.000 5.364) 5.364 23.608 ( 0.000 0.000 -5.594) 5.594 23.780 ( 0.000 0.000 0.023) 0.023 23.780 ( 0.000 0.000 0.005) 0.005 23.831 ( 0.000 0.000 0.262) 0.262 23.837 ( 0.000 0.000 -0.318) 0.318 24.203 ( 0.000 0.000 4.055) 4.055 24.290 ( 0.000 0.000 -4.862) 4.862 24.859 ( 0.000 0.000 8.095) 8.095 25.007 ( 0.000 0.000 -6.446) 6.446 25.174 ( 0.000 0.000 3.119) 3.119 25.244 ( 0.000 0.000 -3.596) 3.596 ======================= Grid point 127 (42/60) ======================= q-point: ( 0.17 0.00 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( 5.014 0.000 16.756) 17.490 0.838 ( 10.700 0.000 13.634) 17.331 1.097 ( 6.899 0.000 -12.485) 14.264 1.125 ( 3.501 0.000 -13.424) 13.873 1.552 ( 16.648 0.000 16.555) 23.478 1.681 ( -1.363 0.000 2.907) 3.210 1.719 ( 2.055 0.000 -4.289) 4.756 1.731 ( 0.343 0.000 -1.925) 1.955 1.739 ( -0.512 0.000 6.543) 6.563 1.917 ( 3.824 0.000 -5.182) 6.440 1.985 ( 2.440 0.000 3.773) 4.493 2.012 ( -1.508 0.000 3.729) 4.023 2.045 ( 0.686 0.000 1.490) 1.640 2.108 ( 3.669 0.000 2.102) 4.228 2.110 ( -3.424 0.000 -3.665) 5.016 2.148 ( -2.133 0.000 -0.731) 2.254 2.240 ( -3.443 0.000 2.839) 4.462 2.256 ( 0.269 0.000 0.119) 0.294 2.272 ( 0.485 0.000 -0.610) 0.780 2.324 ( -1.187 0.000 -4.835) 4.979 2.400 ( 2.483 0.000 -4.359) 5.016 2.417 ( -4.012 0.000 -3.128) 5.087 2.426 ( -0.742 0.000 0.888) 1.158 2.465 ( 0.216 0.000 -2.627) 2.636 2.608 ( 0.602 0.000 2.255) 2.334 2.718 ( -0.438 0.000 -8.693) 8.704 2.857 ( 1.730 0.000 0.599) 1.831 2.867 ( 1.880 0.000 -0.328) 1.908 3.212 ( 2.621 0.000 2.798) 3.834 3.238 ( -0.809 0.000 0.154) 0.824 3.272 ( -2.028 0.000 0.633) 2.125 3.292 ( -2.364 0.000 -1.309) 2.703 3.298 ( -3.278 0.000 2.616) 4.194 3.370 ( -2.996 0.000 -4.225) 5.179 3.558 ( 1.876 0.000 2.808) 3.377 3.618 ( 1.841 0.000 -3.244) 3.730 3.638 ( -5.226 0.000 5.342) 7.473 3.676 ( -0.544 0.000 2.904) 2.955 3.735 ( 0.579 0.000 -0.686) 0.898 3.741 ( -0.730 0.000 1.348) 1.533 3.764 ( -0.529 0.000 -0.867) 1.015 3.781 ( 1.412 0.000 -1.158) 1.826 3.985 ( -5.066 0.000 1.041) 5.172 4.035 ( -3.571 0.000 -3.213) 4.803 4.340 ( 5.833 0.000 5.868) 8.274 4.471 ( 10.182 0.000 -7.087) 12.406 5.074 ( -5.125 0.000 16.192) 16.983 5.381 ( -3.196 0.000 -15.321) 15.651 7.258 ( 0.999 0.000 0.814) 1.289 7.273 ( 1.029 0.000 -0.730) 1.262 7.331 ( 2.579 0.000 2.635) 3.687 7.379 ( 3.617 0.000 -2.177) 4.221 7.450 ( -1.117 0.000 1.228) 1.660 7.475 ( -1.216 0.000 -1.182) 1.696 7.645 ( 0.968 0.000 4.122) 4.234 7.719 ( 0.807 0.000 -3.275) 3.373 10.747 ( 0.271 0.000 -0.059) 0.278 10.752 ( 0.856 0.000 -0.677) 1.091 10.854 ( -0.270 0.000 0.680) 0.732 10.871 ( 0.356 0.000 -0.697) 0.783 10.907 ( 0.030 0.000 0.469) 0.470 10.916 ( -0.105 0.000 -0.434) 0.447 11.011 ( -1.869 0.000 -0.019) 1.869 11.024 ( 0.091 0.000 0.247) 0.263 11.028 ( -1.484 0.000 -1.306) 1.977 11.029 ( 0.013 0.000 -0.254) 0.254 11.171 ( -4.864 0.000 2.009) 5.263 11.202 ( -4.872 0.000 -1.151) 5.006 16.095 ( -0.037 0.000 0.479) 0.480 16.105 ( -0.200 0.000 -0.464) 0.505 16.139 ( 1.037 0.000 0.380) 1.105 16.146 ( 1.029 0.000 -0.368) 1.093 23.491 ( -0.016 0.000 5.154) 5.154 23.593 ( -0.610 0.000 -4.811) 4.849 23.782 ( 0.231 0.000 0.038) 0.234 23.783 ( 0.259 0.000 -0.015) 0.259 23.828 ( -0.209 0.000 0.243) 0.321 23.834 ( -0.253 0.000 -0.293) 0.387 24.051 ( -9.693 0.000 10.222) 14.087 24.227 ( -5.985 0.000 -8.279) 10.216 24.931 ( 6.079 0.000 8.879) 10.761 25.089 ( 6.147 0.000 -6.921) 9.257 25.207 ( 3.242 0.000 7.169) 7.868 25.383 ( 8.085 0.000 -11.135) 13.761 ======================= Grid point 128 (43/60) ======================= q-point: ( 0.33 0.00 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 11.728 0.000 9.561) 15.131 1.112 ( 13.391 0.000 8.925) 16.093 1.230 ( 5.732 0.000 -11.075) 12.470 1.280 ( 8.822 0.000 -7.464) 11.556 1.610 ( -7.359 0.000 0.121) 7.360 1.631 ( -3.609 0.000 3.205) 4.827 1.660 ( -6.697 0.000 -4.309) 7.964 1.707 ( -3.381 0.000 -3.892) 5.155 1.940 ( -2.873 0.000 3.861) 4.813 1.982 ( 15.452 0.000 8.596) 17.682 1.990 ( -4.497 0.000 -0.395) 4.514 2.023 ( 4.544 0.000 2.227) 5.060 2.069 ( 2.405 0.000 2.049) 3.160 2.088 ( 2.080 0.000 -0.530) 2.147 2.095 ( -1.208 0.000 4.773) 4.924 2.183 ( 1.472 0.000 -3.831) 4.104 2.197 ( -0.315 0.000 3.382) 3.396 2.278 ( 3.556 0.000 3.860) 5.248 2.284 ( -2.195 0.000 -4.840) 5.315 2.340 ( 3.338 0.000 -2.204) 4.000 2.405 ( 3.554 0.000 2.205) 4.182 2.417 ( -0.095 0.000 0.898) 0.903 2.454 ( -1.124 0.000 -2.619) 2.851 2.500 ( 4.483 0.000 -5.246) 6.901 2.594 ( -0.444 0.000 3.316) 3.346 2.749 ( 5.550 0.000 -11.661) 12.914 2.896 ( 1.496 0.000 0.472) 1.569 2.906 ( 1.323 0.000 -0.456) 1.400 3.088 ( -12.668 0.000 7.158) 14.551 3.204 ( -6.385 0.000 -4.139) 7.609 3.231 ( -1.439 0.000 0.232) 1.458 3.244 ( -1.775 0.000 -1.016) 2.045 3.258 ( -0.226 0.000 2.037) 2.050 3.312 ( -1.888 0.000 -2.978) 3.526 3.572 ( -0.596 0.000 2.105) 2.188 3.596 ( -0.830 0.000 0.033) 0.830 3.601 ( 1.915 0.000 2.620) 3.245 3.649 ( 0.556 0.000 -1.993) 2.069 3.727 ( -0.262 0.000 0.796) 0.839 3.750 ( -0.728 0.000 -1.206) 1.408 3.795 ( 1.596 0.000 4.098) 4.398 3.836 ( 1.503 0.000 5.098) 5.315 3.913 ( -1.540 0.000 -2.642) 3.058 3.966 ( -2.476 0.000 -3.444) 4.242 4.493 ( 8.649 0.000 10.324) 13.468 4.717 ( 12.117 0.000 -11.726) 16.862 4.925 ( -8.340 0.000 15.762) 17.832 5.242 ( -9.308 0.000 -16.340) 18.805 7.287 ( 1.589 0.000 0.800) 1.779 7.302 ( 1.391 0.000 -0.650) 1.536 7.391 ( 2.784 0.000 3.281) 4.303 7.420 ( -1.439 0.000 0.956) 1.728 7.440 ( -1.848 0.000 -0.984) 2.094 7.444 ( 1.675 0.000 -1.881) 2.519 7.665 ( 1.097 0.000 3.694) 3.853 7.724 ( -0.554 0.000 -2.244) 2.312 10.753 ( 0.347 0.000 0.897) 0.962 10.767 ( 0.295 0.000 -0.561) 0.634 10.850 ( -0.031 0.000 0.157) 0.160 10.872 ( -0.323 0.000 -2.009) 2.035 10.908 ( 0.074 0.000 0.280) 0.290 10.913 ( -0.146 0.000 -0.232) 0.274 10.982 ( -0.607 0.000 0.226) 0.648 10.992 ( -1.370 0.000 -0.146) 1.378 11.026 ( 0.112 0.000 0.127) 0.169 11.029 ( -0.011 0.000 -0.151) 0.151 11.071 ( -3.710 0.000 0.467) 3.739 11.093 ( -4.425 0.000 -1.407) 4.644 16.098 ( 0.214 0.000 0.258) 0.335 16.103 ( -0.011 0.000 -0.261) 0.261 16.160 ( 0.850 0.000 0.252) 0.887 16.166 ( 0.658 0.000 -0.255) 0.705 23.518 ( 2.575 0.000 5.241) 5.839 23.603 ( 1.186 0.000 -2.329) 2.614 23.789 ( 0.324 0.000 0.060) 0.329 23.790 ( 0.329 0.000 -0.043) 0.331 23.823 ( -0.256 0.000 0.168) 0.306 23.827 ( -0.369 0.000 -0.209) 0.424 23.881 ( -5.018 0.000 8.059) 9.493 24.054 ( -8.964 0.000 -8.712) 12.500 25.082 ( 6.806 0.000 7.246) 9.941 25.200 ( 2.630 0.000 -2.063) 3.342 25.312 ( 6.403 0.000 4.076) 7.590 25.487 ( 1.095 0.000 -10.984) 11.038 ======================= Grid point 129 (44/60) ======================= q-point: (-0.50 0.00 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( -7.695 0.000 1.456) 7.831 1.257 ( 7.695 0.000 1.456) 7.831 1.355 ( -6.208 0.000 3.870) 7.316 1.355 ( 6.208 0.000 3.870) 7.316 1.514 ( -3.611 0.000 -5.762) 6.800 1.514 ( 3.611 0.000 -5.762) 6.800 1.595 ( -4.154 0.000 -3.550) 5.464 1.595 ( 4.154 0.000 -3.550) 5.464 1.922 ( -1.299 0.000 1.715) 2.151 1.922 ( 1.299 0.000 1.715) 2.151 2.076 ( -1.045 0.000 4.705) 4.820 2.076 ( 1.045 0.000 4.705) 4.820 2.105 ( -0.683 0.000 1.072) 1.271 2.105 ( 0.683 0.000 1.072) 1.271 2.169 ( -2.840 0.000 -3.187) 4.269 2.169 ( 2.840 0.000 -3.187) 4.269 2.230 ( -2.684 0.000 -0.624) 2.756 2.230 ( 2.684 0.000 -0.624) 2.756 2.367 ( -2.336 0.000 0.798) 2.468 2.367 ( 2.336 0.000 0.798) 2.468 2.427 ( -1.054 0.000 -1.241) 1.628 2.427 ( 1.054 0.000 -1.241) 1.628 2.499 ( -2.893 0.000 0.283) 2.906 2.499 ( 2.893 0.000 0.283) 2.906 2.753 ( -14.719 0.000 9.875) 17.725 2.753 ( 14.719 0.000 9.875) 17.725 2.916 ( -0.325 0.000 -0.238) 0.403 2.916 ( 0.325 0.000 -0.238) 0.403 2.980 ( -12.285 0.000 -10.363) 16.072 2.980 ( 12.285 0.000 -10.363) 16.072 3.219 ( -0.404 0.000 -0.202) 0.452 3.219 ( 0.404 0.000 -0.202) 0.452 3.275 ( -1.492 0.000 -0.550) 1.590 3.275 ( 1.492 0.000 -0.550) 1.590 3.590 ( -1.161 0.000 1.185) 1.659 3.590 ( 1.161 0.000 1.185) 1.659 3.637 ( -1.358 0.000 0.982) 1.676 3.637 ( 1.358 0.000 0.982) 1.676 3.734 ( -0.683 0.000 -0.921) 1.146 3.734 ( 0.683 0.000 -0.921) 1.146 3.820 ( -1.473 0.000 6.137) 6.312 3.820 ( 1.473 0.000 6.137) 6.312 3.925 ( -1.588 0.000 -4.045) 4.346 3.925 ( 1.588 0.000 -4.045) 4.346 4.705 ( -10.293 0.000 12.876) 16.485 4.705 ( 10.293 0.000 12.876) 16.485 5.000 ( -12.378 0.000 -14.038) 18.716 5.000 ( 12.378 0.000 -14.038) 18.716 7.316 ( -0.565 0.000 0.250) 0.618 7.316 ( 0.565 0.000 0.250) 0.618 7.407 ( -0.684 0.000 -0.190) 0.710 7.407 ( 0.684 0.000 -0.190) 0.710 7.442 ( -1.602 0.000 1.480) 2.181 7.442 ( 1.602 0.000 1.480) 2.181 7.697 ( -1.700 0.000 0.194) 1.711 7.697 ( 1.700 0.000 0.194) 1.711 10.763 ( -0.502 0.000 0.366) 0.621 10.763 ( 0.502 0.000 0.366) 0.621 10.859 ( -0.787 0.000 -1.320) 1.537 10.859 ( 0.787 0.000 -1.320) 1.537 10.910 ( -0.124 0.000 0.027) 0.127 10.910 ( 0.124 0.000 0.027) 0.127 10.978 ( -0.467 0.000 1.068) 1.166 10.978 ( 0.467 0.000 1.068) 1.166 11.028 ( -0.067 0.000 -0.015) 0.069 11.028 ( 0.067 0.000 -0.015) 0.069 11.034 ( -0.733 0.000 -1.422) 1.600 11.034 ( 0.733 0.000 -1.422) 1.600 16.102 ( -0.125 0.000 -0.007) 0.125 16.102 ( 0.125 0.000 -0.007) 0.125 16.172 ( -0.130 0.000 -0.010) 0.130 16.172 ( 0.130 0.000 -0.010) 0.130 23.588 ( -3.008 0.000 4.504) 5.416 23.588 ( 3.008 0.000 4.504) 5.416 23.793 ( -0.045 0.000 0.015) 0.048 23.793 ( 0.045 0.000 0.015) 0.048 23.820 ( -0.112 0.000 -0.026) 0.115 23.820 ( 0.112 0.000 -0.026) 0.115 23.885 ( -5.391 0.000 -3.577) 6.470 23.885 ( 5.391 0.000 -3.577) 6.470 25.193 ( -3.000 0.000 4.804) 5.664 25.193 ( 3.000 0.000 4.804) 5.664 25.443 ( -4.692 0.000 -5.432) 7.178 25.443 ( 4.692 0.000 -5.432) 7.178 ======================= Grid point 133 (45/60) ======================= q-point: ( 0.00 0.11 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 0.000 10.044 14.733) 17.831 0.873 ( 0.000 8.434 15.313) 17.482 1.106 ( 0.000 7.767 -13.221) 15.333 1.128 ( 0.000 5.361 -8.321) 9.899 1.419 ( 0.000 8.789 15.836) 18.112 1.636 ( 0.000 0.167 -4.662) 4.665 1.715 ( 0.000 -0.039 1.602) 1.603 1.735 ( 0.000 1.302 -1.670) 2.117 1.801 ( 0.000 4.514 4.982) 6.723 1.921 ( 0.000 3.998 -4.461) 5.991 1.963 ( 0.000 0.318 3.131) 3.148 2.020 ( 0.000 0.860 -2.195) 2.358 2.069 ( 0.000 1.249 4.594) 4.760 2.135 ( 0.000 5.331 4.451) 6.945 2.154 ( 0.000 -0.952 -3.577) 3.702 2.199 ( 0.000 -1.512 2.349) 2.794 2.218 ( 0.000 4.907 -3.245) 5.883 2.275 ( 0.000 0.945 -3.897) 4.010 2.303 ( 0.000 -2.143 1.076) 2.398 2.338 ( 0.000 0.797 -5.155) 5.216 2.391 ( 0.000 2.578 2.707) 3.738 2.452 ( 0.000 1.718 -2.518) 3.049 2.518 ( 0.000 1.539 1.150) 1.921 2.543 ( 0.000 3.007 -2.905) 4.180 2.570 ( 0.000 2.311 3.722) 4.381 2.703 ( 0.000 -0.418 -8.362) 8.373 2.865 ( 0.000 2.373 -0.587) 2.445 2.892 ( 0.000 4.531 -2.727) 5.288 3.123 ( 0.000 -3.581 4.621) 5.846 3.201 ( 0.000 -3.903 -2.763) 4.782 3.270 ( 0.000 -2.781 2.470) 3.719 3.320 ( 0.000 -0.219 -2.492) 2.501 3.361 ( 0.000 0.187 1.501) 1.513 3.411 ( 0.000 0.383 -2.999) 3.023 3.554 ( 0.000 1.517 2.346) 2.793 3.582 ( 0.000 -1.006 0.939) 1.376 3.627 ( 0.000 0.355 -1.611) 1.650 3.628 ( 0.000 -4.169 0.389) 4.188 3.737 ( 0.000 2.550 5.625) 6.176 3.787 ( 0.000 1.796 0.282) 1.818 3.804 ( 0.000 3.491 -0.882) 3.600 3.852 ( 0.000 0.322 -5.156) 5.166 4.122 ( 0.000 2.115 0.701) 2.228 4.133 ( 0.000 4.131 -0.815) 4.211 4.231 ( 0.000 -1.083 3.435) 3.602 4.314 ( 0.000 -1.008 -4.768) 4.873 5.045 ( 0.000 -8.801 14.323) 16.811 5.297 ( 0.000 -9.736 -10.776) 14.523 7.238 ( 0.000 -1.753 0.764) 1.912 7.251 ( 0.000 -0.290 -0.552) 0.624 7.336 ( 0.000 3.523 0.095) 3.524 7.337 ( 0.000 1.702 0.170) 1.711 7.478 ( 0.000 0.808 0.514) 0.957 7.494 ( 0.000 -0.059 -0.939) 0.941 7.639 ( 0.000 1.347 4.075) 4.292 7.714 ( 0.000 0.860 -3.318) 3.428 10.713 ( 0.000 -2.386 -0.286) 2.403 10.717 ( 0.000 -2.045 -0.668) 2.151 10.839 ( 0.000 -1.086 0.176) 1.100 10.843 ( 0.000 -1.109 -0.214) 1.130 10.938 ( 0.000 1.044 0.190) 1.061 10.943 ( 0.000 0.642 -0.162) 0.662 11.018 ( 0.000 -0.634 0.125) 0.647 11.027 ( 0.000 0.264 -0.449) 0.521 11.071 ( 0.000 3.848 0.920) 3.957 11.092 ( 0.000 5.090 -1.070) 5.202 11.234 ( 0.000 -0.069 1.673) 1.674 11.257 ( 0.000 -0.528 -0.655) 0.841 16.095 ( 0.000 -0.217 0.594) 0.632 16.107 ( 0.000 -0.237 -0.511) 0.564 16.120 ( 0.000 -0.546 0.193) 0.579 16.124 ( 0.000 -0.596 -0.232) 0.640 23.451 ( 0.000 -3.645 5.304) 6.436 23.563 ( 0.000 -3.668 -5.741) 6.813 23.795 ( 0.000 -0.104 2.751) 2.753 23.827 ( 0.000 2.691 -0.925) 2.846 23.861 ( 0.000 3.123 0.088) 3.125 23.861 ( 0.000 3.552 0.073) 3.553 24.230 ( 0.000 2.620 3.481) 4.357 24.305 ( 0.000 1.363 -4.250) 4.463 24.828 ( 0.000 -3.188 7.628) 8.267 24.966 ( 0.000 -4.065 -5.991) 7.240 25.140 ( 0.000 -2.898 4.316) 5.199 25.249 ( 0.000 0.641 -6.699) 6.729 ======================= Grid point 134 (46/60) ======================= q-point: ( 0.17 0.11 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( 4.032 7.817 14.790) 17.207 0.938 ( 9.021 8.772 12.428) 17.685 1.168 ( 4.654 5.524 -11.335) 13.441 1.195 ( 5.787 7.562 -12.294) 15.550 1.586 ( 11.666 4.026 9.534) 15.595 1.654 ( 0.472 -1.014 0.820) 1.386 1.728 ( -0.287 0.581 0.589) 0.876 1.743 ( -0.143 1.087 -1.920) 2.211 1.811 ( 2.568 5.906 6.427) 9.099 1.948 ( 2.467 3.086 -3.465) 5.255 2.002 ( 3.361 1.031 2.339) 4.223 2.026 ( 0.776 0.931 1.024) 1.586 2.110 ( -1.523 4.245 2.800) 5.309 2.121 ( 2.539 0.744 1.212) 2.910 2.161 ( -1.397 3.160 0.588) 3.505 2.177 ( -2.742 3.054 -1.067) 4.241 2.215 ( 0.467 -0.043 0.425) 0.633 2.225 ( -0.065 -1.092 0.275) 1.128 2.278 ( -1.432 0.773 0.163) 1.636 2.352 ( 1.789 1.534 -6.662) 7.066 2.409 ( -1.431 2.178 1.024) 2.800 2.419 ( -0.017 3.674 -0.552) 3.715 2.499 ( -1.308 3.703 -0.857) 4.020 2.514 ( -0.919 4.181 -2.802) 5.117 2.580 ( 0.094 -1.994 1.794) 2.684 2.688 ( -0.993 -2.278 -7.917) 8.298 2.884 ( 1.321 1.946 0.622) 2.433 2.919 ( 1.293 4.559 -2.816) 5.513 3.136 ( 0.099 -5.623 2.970) 6.360 3.185 ( -1.867 -3.445 -1.753) 4.293 3.285 ( 1.083 -0.516 1.417) 1.857 3.288 ( -1.829 0.055 2.184) 2.849 3.329 ( -1.774 0.860 -0.537) 2.043 3.374 ( -1.845 0.175 -3.594) 4.044 3.539 ( -2.501 -0.895 3.841) 4.670 3.602 ( -0.241 -1.402 -1.125) 1.814 3.627 ( -1.376 -3.641 0.553) 3.931 3.648 ( -0.198 -2.469 -1.012) 2.676 3.713 ( 0.478 3.929 2.847) 4.876 3.756 ( -0.858 2.052 -1.549) 2.711 3.789 ( 0.228 2.552 2.975) 3.926 3.867 ( 1.217 3.640 -3.685) 5.321 4.037 ( -4.229 5.128 2.482) 7.095 4.083 ( -3.261 4.426 -2.178) 5.913 4.319 ( 5.507 -2.137 5.339) 7.963 4.440 ( 9.136 -3.079 -6.666) 11.721 4.991 ( -4.467 -8.022 15.757) 18.237 5.284 ( -2.465 -9.159 -14.071) 16.970 7.268 ( 2.310 -0.877 1.017) 2.672 7.281 ( 2.190 0.905 -0.295) 2.388 7.347 ( 1.254 2.658 0.846) 3.058 7.365 ( 2.141 0.366 -0.676) 2.275 7.484 ( 0.175 1.808 -0.196) 1.827 7.490 ( -0.520 0.898 -0.595) 1.196 7.638 ( -0.083 -0.038 4.340) 4.341 7.713 ( -0.129 -0.295 -3.190) 3.206 10.721 ( 0.685 -2.097 0.148) 2.211 10.730 ( 1.038 -1.900 -0.804) 2.310 10.843 ( 0.254 -0.765 0.152) 0.820 10.850 ( 0.690 -1.208 -0.276) 1.418 10.928 ( -1.153 0.642 0.266) 1.346 10.938 ( -0.943 0.657 -0.632) 1.311 10.993 ( -1.400 -0.592 0.734) 1.688 11.015 ( -0.717 0.068 -1.119) 1.331 11.067 ( -0.444 3.614 0.795) 3.727 11.080 ( -1.039 4.084 -0.438) 4.237 11.176 ( -4.311 0.695 1.164) 4.519 11.197 ( -4.832 -0.389 -0.898) 4.930 16.093 ( -0.027 -0.203 0.451) 0.495 16.102 ( -0.196 -0.287 -0.415) 0.542 16.134 ( 1.037 -0.492 0.329) 1.194 16.140 ( 1.025 -0.601 -0.316) 1.230 23.459 ( 0.974 -2.643 5.099) 5.825 23.563 ( 0.328 -2.589 -5.015) 5.653 23.788 ( -0.735 -1.157 2.880) 3.189 23.816 ( -0.652 1.973 -0.623) 2.169 23.848 ( -0.908 2.689 0.315) 2.856 23.854 ( -0.653 2.820 -0.279) 2.908 24.112 ( -7.634 5.750 6.685) 11.663 24.251 ( -4.970 2.683 -7.364) 9.280 24.910 ( 6.271 -2.362 8.009) 10.442 25.051 ( 6.480 -3.964 -6.167) 9.784 25.165 ( 2.525 -3.765 7.768) 8.994 25.352 ( 6.512 -2.699 -11.147) 13.189 ======================= Grid point 135 (47/60) ======================= q-point: ( 0.33 0.11 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 10.332 5.235 9.058) 14.704 1.170 ( 11.220 5.403 6.288) 13.951 1.285 ( 6.007 5.219 -7.482) 10.923 1.360 ( 7.925 7.187 -7.191) 12.890 1.617 ( -7.015 0.907 -0.105) 7.074 1.630 ( -2.910 -0.101 1.918) 3.487 1.670 ( -6.046 1.336 -3.278) 7.006 1.710 ( -1.764 0.514 -3.638) 4.076 1.967 ( 0.982 2.695 2.660) 3.912 1.997 ( 2.993 1.399 0.138) 3.306 2.049 ( -2.975 1.946 3.430) 4.939 2.075 ( 2.192 3.104 2.073) 4.329 2.097 ( 4.944 5.885 3.702) 8.531 2.112 ( 5.767 2.600 1.567) 6.517 2.138 ( -0.539 4.170 2.072) 4.688 2.177 ( 0.620 -0.005 -0.945) 1.130 2.244 ( 3.447 -1.961 2.305) 4.587 2.273 ( 1.132 2.940 1.143) 3.351 2.314 ( 0.988 2.060 -1.208) 2.584 2.331 ( 0.830 4.684 -0.352) 4.770 2.415 ( 1.499 2.441 1.626) 3.294 2.457 ( 0.725 1.749 -1.251) 2.269 2.478 ( 1.217 2.993 -0.042) 3.232 2.528 ( 1.691 2.320 -2.996) 4.149 2.577 ( -0.012 -1.248 0.692) 1.427 2.696 ( 3.545 -4.394 -8.980) 10.607 2.895 ( -1.116 -1.093 0.697) 1.710 2.924 ( -1.654 0.950 -1.745) 2.585 3.108 ( -3.642 1.313 1.143) 4.036 3.109 ( -3.035 -2.686 1.072) 4.192 3.249 ( -1.073 0.360 0.787) 1.379 3.283 ( -2.289 1.709 0.991) 3.024 3.304 ( -1.008 0.726 -1.562) 1.996 3.337 ( -2.527 4.092 -1.880) 5.164 3.480 ( -0.572 -4.643 2.463) 5.287 3.519 ( -2.926 -4.125 -1.366) 5.239 3.641 ( 1.341 -2.345 1.314) 3.004 3.673 ( 1.897 0.352 -2.004) 2.782 3.719 ( -1.193 0.825 1.212) 1.890 3.747 ( -0.837 0.891 -1.076) 1.629 3.824 ( 2.734 3.851 4.517) 6.535 3.903 ( 2.082 3.431 -2.605) 4.785 3.962 ( -3.004 5.986 2.852) 7.279 4.015 ( -2.777 4.477 -1.710) 5.539 4.463 ( 8.075 -2.957 9.305) 12.671 4.667 ( 11.355 -5.056 -10.725) 16.417 4.860 ( -7.493 -6.385 15.266) 18.165 5.162 ( -8.611 -7.802 -15.221) 19.149 7.320 ( 2.313 1.994 0.938) 3.195 7.333 ( 2.390 2.409 -0.282) 3.405 7.383 ( 1.722 0.808 1.669) 2.531 7.407 ( 1.056 -0.451 -0.565) 1.279 7.470 ( -1.192 2.390 -0.131) 2.674 7.476 ( -0.866 2.389 -0.590) 2.609 7.641 ( 0.612 -2.010 3.614) 4.181 7.701 ( -1.106 -2.127 -2.295) 3.319 10.739 ( 0.846 -1.356 0.740) 1.761 10.751 ( 0.705 -1.413 -0.534) 1.667 10.843 ( -0.485 -0.637 0.234) 0.834 10.862 ( -0.648 -1.006 -1.653) 2.041 10.892 ( -0.785 -1.555 0.510) 1.815 10.905 ( -1.021 -0.561 -0.708) 1.363 10.992 ( 0.817 0.317 1.001) 1.330 11.006 ( -0.282 1.362 -0.151) 1.399 11.045 ( -0.873 1.419 0.575) 1.763 11.061 ( -0.873 3.265 -0.172) 3.384 11.084 ( -4.637 0.314 -0.602) 4.686 11.093 ( -3.058 1.655 -1.050) 3.632 16.096 ( 0.214 -0.184 0.239) 0.370 16.100 ( 0.008 -0.241 -0.225) 0.330 16.155 ( 0.829 -0.532 0.223) 1.010 16.160 ( 0.664 -0.607 -0.213) 0.924 23.501 ( 2.797 -1.599 5.008) 5.955 23.582 ( 1.003 -1.879 -2.115) 3.002 23.759 ( -1.569 -3.559 2.788) 4.786 23.797 ( -1.460 -1.379 -0.994) 2.241 23.841 ( 0.368 3.605 -0.105) 3.626 23.844 ( 0.232 4.102 -0.485) 4.137 23.983 ( -3.688 7.645 4.788) 9.745 24.111 ( -7.223 5.630 -7.649) 11.932 25.054 ( 6.243 -2.878 6.844) 9.701 25.160 ( 2.210 -3.963 -0.843) 4.615 25.270 ( 6.943 -4.001 3.695) 8.824 25.442 ( 1.204 -4.219 -10.547) 11.423 ======================= Grid point 136 (48/60) ======================= q-point: (-0.50 0.11 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( -7.681 3.291 1.722) 8.532 1.286 ( 7.681 3.291 1.722) 8.532 1.396 ( -6.192 3.917 3.051) 7.937 1.396 ( 6.192 3.917 3.051) 7.937 1.546 ( -3.900 2.956 -3.556) 6.049 1.546 ( 3.900 2.956 -3.556) 6.049 1.620 ( -4.908 2.160 -4.964) 7.307 1.620 ( 4.908 2.160 -4.964) 7.307 1.966 ( -1.253 4.411 1.855) 4.947 1.966 ( 1.253 4.411 1.855) 4.947 2.069 ( -1.666 -1.648 -0.202) 2.352 2.069 ( 1.666 -1.648 -0.202) 2.352 2.130 ( -0.880 2.636 2.983) 4.077 2.130 ( 0.880 2.636 2.983) 4.077 2.228 ( -3.352 5.322 1.479) 6.461 2.228 ( 3.352 5.322 1.479) 6.461 2.275 ( -3.694 2.476 -1.271) 4.625 2.275 ( 3.694 2.476 -1.271) 4.625 2.334 ( -2.729 1.197 -1.725) 3.443 2.334 ( 2.729 1.197 -1.725) 3.443 2.454 ( -2.067 1.158 1.845) 3.003 2.454 ( 2.067 1.158 1.845) 3.003 2.518 ( -1.630 2.194 -1.773) 3.258 2.518 ( 1.630 2.194 -1.773) 3.258 2.709 ( -10.444 -3.900 6.104) 12.710 2.709 ( 10.444 -3.900 6.104) 12.710 2.856 ( -4.444 -3.110 -4.115) 6.808 2.856 ( 4.444 -3.110 -4.115) 6.808 3.067 ( -0.871 5.604 -0.157) 5.673 3.067 ( 0.871 5.604 -0.157) 5.673 3.246 ( -1.419 1.703 -2.272) 3.174 3.246 ( 1.419 1.703 -2.272) 3.174 3.286 ( -0.702 1.905 -0.403) 2.070 3.286 ( 0.702 1.905 -0.403) 2.070 3.494 ( -0.837 -5.350 0.655) 5.455 3.494 ( 0.837 -5.350 0.655) 5.455 3.676 ( -2.066 -1.242 1.729) 2.967 3.676 ( 2.066 -1.242 1.729) 2.967 3.716 ( -1.890 0.022 -1.989) 2.744 3.716 ( 1.890 0.022 -1.989) 2.744 3.891 ( -3.172 6.160 4.338) 8.174 3.891 ( 3.172 6.160 4.338) 8.174 3.960 ( -2.472 3.446 -2.329) 4.839 3.960 ( 2.472 3.446 -2.329) 4.839 4.659 ( -9.451 -4.518 12.212) 16.090 4.659 ( 9.451 -4.518 12.212) 16.090 4.934 ( -11.759 -6.533 -13.105) 18.780 4.934 ( 11.759 -6.533 -13.105) 18.780 7.360 ( -0.737 4.075 0.250) 4.149 7.360 ( 0.737 4.075 0.250) 4.149 7.407 ( -0.702 -0.837 0.429) 1.174 7.407 ( 0.702 -0.837 0.429) 1.174 7.457 ( -0.534 2.414 0.582) 2.540 7.457 ( 0.534 2.414 0.582) 2.540 7.668 ( -1.695 -2.793 0.121) 3.270 7.668 ( 1.695 -2.793 0.121) 3.270 10.755 ( -0.458 -0.782 0.455) 1.014 10.755 ( 0.458 -0.782 0.455) 1.014 10.835 ( -0.494 -1.897 -1.091) 2.243 10.835 ( 0.494 -1.897 -1.091) 2.243 10.899 ( -0.217 -1.025 -0.081) 1.051 10.899 ( 0.217 -1.025 -0.081) 1.051 11.003 ( -1.549 0.808 1.489) 2.296 11.003 ( 1.549 0.808 1.489) 2.296 11.031 ( -1.630 1.417 -0.439) 2.204 11.031 ( 1.630 1.417 -0.439) 2.204 11.053 ( -0.921 2.082 -1.365) 2.654 11.053 ( 0.921 2.082 -1.365) 2.654 16.100 ( -0.111 -0.200 0.000) 0.228 16.100 ( 0.111 -0.200 0.000) 0.228 16.166 ( -0.112 -0.581 -0.000) 0.592 16.166 ( 0.112 -0.581 -0.000) 0.592 23.567 ( -2.637 -1.810 3.953) 5.085 23.567 ( 2.637 -1.810 3.953) 5.085 23.758 ( -1.618 -3.803 -1.020) 4.257 23.758 ( 1.618 -3.803 -1.020) 4.257 23.851 ( -0.386 5.144 -0.056) 5.159 23.851 ( 0.386 5.144 -0.056) 5.159 23.979 ( -3.771 7.072 -2.425) 8.373 23.979 ( 3.771 7.072 -2.425) 8.373 25.154 ( -2.622 -3.797 5.000) 6.804 25.154 ( 2.622 -3.797 5.000) 6.804 25.403 ( -4.473 -3.849 -5.227) 7.884 25.403 ( 4.473 -3.849 -5.227) 7.884 ======================= Grid point 140 (49/60) ======================= q-point: ( 0.00 0.22 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 0.000 10.698 11.718) 15.867 1.081 ( 0.000 12.748 10.647) 16.609 1.255 ( 0.000 7.377 -11.004) 13.248 1.265 ( 0.000 8.554 -7.070) 11.098 1.624 ( 0.000 10.516 5.322) 11.786 1.675 ( 0.000 3.192 -0.292) 3.206 1.716 ( 0.000 0.195 0.678) 0.706 1.732 ( 0.000 -1.113 -0.991) 1.491 1.894 ( 0.000 4.056 6.391) 7.569 1.957 ( 0.000 -0.148 1.935) 1.941 1.988 ( 0.000 2.662 -2.226) 3.471 2.047 ( 0.000 0.575 -6.849) 6.873 2.073 ( 0.000 -1.334 3.080) 3.356 2.133 ( 0.000 -1.413 -3.089) 3.397 2.170 ( 0.000 0.290 4.321) 4.331 2.213 ( 0.000 2.343 4.066) 4.693 2.224 ( 0.000 -0.259 -1.113) 1.143 2.321 ( 0.000 1.331 3.699) 3.931 2.332 ( 0.000 0.340 -6.146) 6.156 2.403 ( 0.000 4.605 -4.730) 6.601 2.447 ( 0.000 4.338 3.792) 5.762 2.493 ( 0.000 3.651 -0.693) 3.716 2.540 ( 0.000 2.668 2.726) 3.814 2.589 ( 0.000 1.889 -2.661) 3.264 2.662 ( 0.000 6.167 2.768) 6.760 2.742 ( 0.000 4.111 -2.915) 5.040 2.912 ( 0.000 2.714 -3.708) 4.596 2.962 ( 0.000 1.196 -6.394) 6.505 3.054 ( 0.000 -2.941 4.212) 5.137 3.129 ( 0.000 -2.680 -1.736) 3.193 3.205 ( 0.000 -4.024 4.272) 5.868 3.317 ( 0.000 -0.465 -5.841) 5.859 3.371 ( 0.000 0.494 0.592) 0.771 3.411 ( 0.000 -0.923 -2.992) 3.132 3.539 ( 0.000 -2.821 1.356) 3.130 3.553 ( 0.000 -2.817 0.203) 2.824 3.588 ( 0.000 2.223 2.431) 3.294 3.637 ( 0.000 1.207 -2.854) 3.099 3.792 ( 0.000 2.643 2.164) 3.416 3.818 ( 0.000 1.044 -0.140) 1.053 3.884 ( 0.000 4.992 0.036) 4.993 3.890 ( 0.000 3.773 -0.709) 3.839 4.170 ( 0.000 2.657 1.760) 3.188 4.186 ( 0.000 0.283 0.892) 0.936 4.232 ( 0.000 2.255 1.495) 2.706 4.298 ( 0.000 -0.293 -4.004) 4.015 4.843 ( 0.000 -11.564 13.605) 17.856 5.083 ( 0.000 -12.088 -10.341) 15.908 7.209 ( 0.000 -1.269 0.886) 1.547 7.231 ( 0.000 -1.392 -1.318) 1.916 7.380 ( 0.000 1.106 1.521) 1.880 7.407 ( 0.000 2.346 -1.200) 2.634 7.486 ( 0.000 0.684 0.312) 0.751 7.496 ( 0.000 2.365 -0.688) 2.463 7.679 ( 0.000 2.426 3.364) 4.148 7.737 ( 0.000 1.351 -2.350) 2.711 10.674 ( 0.000 -1.564 -0.386) 1.611 10.678 ( 0.000 -1.767 -0.677) 1.892 10.823 ( 0.000 -0.710 -0.176) 0.732 10.825 ( 0.000 -0.812 -0.348) 0.884 10.932 ( 0.000 -1.064 -0.197) 1.082 10.935 ( 0.000 -1.022 -0.227) 1.047 11.008 ( 0.000 -0.463 0.985) 1.088 11.031 ( 0.000 0.061 -1.118) 1.120 11.173 ( 0.000 5.777 2.605) 6.337 11.201 ( 0.000 5.020 0.532) 5.048 11.242 ( 0.000 1.499 -0.508) 1.583 11.251 ( 0.000 0.266 -0.810) 0.853 16.090 ( 0.000 -0.396 0.483) 0.625 16.099 ( 0.000 -0.684 -0.401) 0.793 16.108 ( 0.000 -0.531 0.099) 0.540 16.110 ( 0.000 -0.797 -0.086) 0.802 23.392 ( 0.000 -2.368 4.283) 4.894 23.493 ( 0.000 -3.495 -5.587) 6.590 23.757 ( 0.000 -3.513 5.256) 6.322 23.825 ( 0.000 -2.396 -1.977) 3.107 23.953 ( 0.000 5.628 0.439) 5.645 23.960 ( 0.000 6.079 -0.286) 6.086 24.285 ( 0.000 2.864 2.136) 3.573 24.335 ( 0.000 1.731 -2.994) 3.459 24.746 ( 0.000 -5.203 6.427) 8.269 24.863 ( 0.000 -6.492 -5.277) 8.366 25.100 ( 0.000 -0.542 7.185) 7.206 25.267 ( 0.000 0.991 -9.582) 9.633 ======================= Grid point 141 (50/60) ======================= q-point: ( 0.17 0.22 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 3.721 11.362 10.407) 15.851 1.124 ( 6.002 10.745 10.916) 16.451 1.293 ( 3.568 7.153 -8.703) 11.817 1.349 ( 6.343 7.801 -10.340) 14.422 1.664 ( -0.495 1.969 1.868) 2.759 1.680 ( 2.911 4.680 0.341) 5.522 1.740 ( 0.373 0.296 -0.319) 0.573 1.752 ( 0.895 0.018 -1.320) 1.595 1.928 ( 3.109 4.386 5.839) 7.937 1.989 ( 0.190 -0.282 -1.054) 1.108 2.002 ( 3.105 0.678 1.603) 3.560 2.071 ( 2.867 2.209 -3.038) 4.725 2.099 ( 2.049 -1.813 2.133) 3.469 2.136 ( 0.072 0.937 0.930) 1.322 2.186 ( -0.393 0.800 0.376) 0.967 2.191 ( 1.277 2.097 -0.101) 2.457 2.267 ( 0.253 1.741 1.738) 2.473 2.271 ( 1.530 2.709 1.504) 3.456 2.375 ( 0.498 5.023 -0.742) 5.102 2.386 ( -0.263 2.116 0.311) 2.155 2.460 ( -0.941 3.918 2.025) 4.510 2.482 ( 2.500 2.786 -2.377) 4.434 2.548 ( -0.583 1.577 0.962) 1.937 2.577 ( -0.855 2.168 -2.067) 3.115 2.618 ( -2.427 5.683 0.381) 6.191 2.699 ( -2.758 5.540 -5.733) 8.436 2.895 ( -1.328 -1.243 1.724) 2.506 2.994 ( -0.218 2.043 -6.623) 6.935 3.050 ( 0.944 -2.181 4.800) 5.356 3.137 ( 0.194 -1.621 -3.467) 3.832 3.245 ( 3.844 -2.469 3.676) 5.863 3.305 ( -2.175 1.086 -1.549) 2.882 3.323 ( -2.008 -1.058 -0.736) 2.386 3.366 ( -1.984 -0.939 -3.336) 3.993 3.533 ( -3.020 -0.428 2.179) 3.748 3.550 ( -1.092 -3.758 0.488) 3.944 3.590 ( 0.233 0.530 0.676) 0.890 3.626 ( 0.070 0.367 -2.987) 3.010 3.785 ( -0.796 2.764 0.392) 2.903 3.788 ( -1.733 1.353 0.554) 2.267 3.885 ( 1.238 7.028 2.136) 7.449 3.929 ( 1.978 3.687 -1.627) 4.489 4.140 ( -2.339 4.918 2.244) 5.890 4.169 ( -2.197 3.747 -0.781) 4.413 4.272 ( 4.123 -2.102 3.760) 5.963 4.367 ( 6.039 -4.147 -5.541) 9.186 4.808 ( -2.978 -10.342 14.861) 18.349 5.077 ( -1.671 -11.923 -12.168) 17.118 7.241 ( 2.683 -1.491 1.236) 3.309 7.268 ( 2.977 -1.680 -1.335) 3.670 7.403 ( 1.968 1.661 1.109) 2.804 7.420 ( 1.189 3.088 -0.639) 3.370 7.492 ( 0.467 0.436 0.288) 0.701 7.502 ( 0.361 1.645 -0.688) 1.819 7.663 ( -1.424 2.282 3.064) 4.077 7.719 ( -1.660 0.879 -2.344) 3.004 10.684 ( 0.961 -1.600 0.094) 1.869 10.694 ( 1.199 -1.717 -0.854) 2.262 10.829 ( 0.332 -0.766 -0.095) 0.840 10.831 ( 0.622 -0.874 -0.268) 1.105 10.920 ( -1.622 -0.902 0.298) 1.880 10.933 ( -0.743 -0.707 -0.825) 1.316 10.985 ( -1.316 -0.603 1.502) 2.086 11.018 ( -0.667 -0.130 -1.673) 1.806 11.145 ( -3.047 3.550 2.363) 5.241 11.171 ( -1.674 4.918 1.252) 5.344 11.194 ( -4.301 0.614 -0.869) 4.430 11.212 ( -2.534 3.230 -1.363) 4.326 16.088 ( 0.036 -0.286 0.339) 0.445 16.094 ( -0.103 -0.482 -0.260) 0.557 16.122 ( 0.969 -0.707 0.181) 1.213 16.125 ( 0.974 -0.897 -0.164) 1.334 23.413 ( 1.880 -2.031 4.277) 5.095 23.509 ( 1.403 -2.921 -5.034) 5.987 23.734 ( -1.909 -3.855 5.105) 6.676 23.803 ( -1.971 -2.990 -2.017) 4.110 23.927 ( -1.496 4.741 0.325) 4.982 23.936 ( -1.219 4.934 -0.661) 5.125 24.232 ( -4.143 6.275 4.155) 8.591 24.330 ( -1.622 5.466 -5.793) 8.128 24.833 ( 6.503 -5.860 5.883) 10.547 24.946 ( 6.922 -6.812 -5.283) 11.055 25.106 ( 1.050 -1.360 9.644) 9.796 25.307 ( 2.940 -1.729 -10.541) 11.079 ======================= Grid point 142 (51/60) ======================= q-point: ( 0.33 0.22 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 7.591 9.876 7.433) 14.505 1.297 ( 8.439 7.550 4.852) 12.320 1.398 ( 5.693 6.253 -3.482) 9.145 1.503 ( 6.861 6.998 -8.027) 12.668 1.629 ( -3.667 0.963 2.658) 4.630 1.653 ( -5.022 2.360 -0.999) 5.638 1.711 ( -3.868 2.702 -2.441) 5.312 1.738 ( -0.807 2.423 -3.739) 4.528 1.970 ( 1.608 -2.744 0.378) 3.202 1.977 ( -0.161 -2.899 -0.554) 2.955 2.089 ( -0.046 -0.304 1.711) 1.738 2.107 ( -2.281 1.881 1.368) 3.257 2.125 ( 3.296 -1.043 2.057) 4.023 2.193 ( 3.016 0.494 -1.225) 3.292 2.207 ( 2.131 2.932 0.325) 3.639 2.234 ( -0.319 4.535 -0.352) 4.560 2.296 ( 4.616 6.781 1.501) 8.340 2.312 ( 5.196 8.611 1.862) 10.229 2.376 ( 0.414 -2.381 3.105) 3.934 2.426 ( -0.361 -0.091 -1.424) 1.472 2.473 ( 2.765 3.477 3.593) 5.714 2.511 ( 0.847 4.465 0.040) 4.545 2.546 ( 2.755 2.439 0.707) 3.747 2.566 ( -2.298 6.331 1.509) 6.902 2.612 ( 1.848 3.846 -4.099) 5.917 2.660 ( 0.150 4.315 -6.233) 7.582 2.853 ( -2.298 -2.400 1.742) 3.752 2.917 ( -5.912 -1.012 -3.613) 7.002 3.079 ( 1.839 0.425 4.916) 5.266 3.173 ( 2.376 2.647 -3.433) 4.943 3.262 ( -1.010 1.219 -0.220) 1.598 3.283 ( -0.732 -0.726 -0.779) 1.292 3.320 ( -0.065 -0.034 2.121) 2.122 3.361 ( 1.507 -1.060 -1.208) 2.203 3.447 ( -3.509 0.156 1.360) 3.766 3.478 ( -4.112 -0.307 -1.431) 4.365 3.603 ( 1.079 -0.755 1.186) 1.772 3.645 ( 1.196 -1.965 -3.032) 3.805 3.731 ( -3.179 0.273 1.284) 3.439 3.756 ( -2.371 -0.142 -0.942) 2.555 3.939 ( 3.367 7.146 2.469) 8.276 3.978 ( 2.790 5.074 -1.249) 5.924 4.082 ( -2.867 5.479 2.212) 6.568 4.109 ( -3.001 4.837 -0.440) 5.709 4.394 ( 6.823 -3.899 6.541) 10.224 4.543 ( 9.646 -7.398 -8.114) 14.616 4.714 ( -5.656 -8.148 13.758) 16.960 4.980 ( -7.348 -10.700 -12.666) 18.136 7.311 ( 3.478 -1.679 1.642) 4.197 7.339 ( 3.115 -1.689 -1.098) 3.710 7.441 ( 0.703 2.625 0.493) 2.762 7.450 ( 0.773 3.176 -0.443) 3.299 7.500 ( 0.644 0.990 0.825) 1.441 7.511 ( 0.836 1.934 -0.355) 2.137 7.627 ( -1.598 1.356 1.965) 2.873 7.670 ( -2.726 -0.328 -1.914) 3.347 10.711 ( 1.348 -1.395 0.606) 2.032 10.723 ( 1.343 -1.443 -0.555) 2.047 10.826 ( -1.253 -1.157 0.698) 1.843 10.838 ( -1.300 -1.316 -0.885) 2.050 10.871 ( -0.709 -0.497 0.575) 1.039 10.892 ( -1.703 -0.585 -1.326) 2.236 10.982 ( 0.282 -1.154 1.630) 2.017 11.015 ( -0.105 -0.902 -1.456) 1.716 11.080 ( -2.002 2.399 1.228) 3.357 11.100 ( -2.769 1.941 -0.395) 3.404 11.136 ( -1.749 4.278 0.115) 4.623 11.152 ( -2.791 3.710 -1.026) 4.755 16.092 ( 0.232 -0.184 0.177) 0.346 16.095 ( 0.092 -0.290 -0.128) 0.330 16.142 ( 0.751 -0.859 0.139) 1.150 16.144 ( 0.661 -0.979 -0.105) 1.186 23.468 ( 3.049 -1.628 4.254) 5.481 23.542 ( 1.182 -2.183 -2.218) 3.329 23.687 ( -1.863 -3.884 3.066) 5.287 23.744 ( -3.122 -3.815 -2.038) 5.334 23.923 ( 1.206 4.664 0.319) 4.828 23.942 ( 1.954 5.245 -1.641) 5.833 24.133 ( -4.332 7.641 4.132) 9.707 24.242 ( -6.036 7.366 -6.958) 11.795 24.979 ( 6.172 -4.834 6.008) 9.877 25.073 ( 2.707 -4.515 -0.426) 5.282 25.184 ( 6.499 -4.316 4.895) 9.210 25.353 ( 0.537 -4.599 -9.243) 10.338 ======================= Grid point 143 (52/60) ======================= q-point: (-0.50 0.22 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( -6.340 6.934 1.922) 9.591 1.385 ( 6.340 6.934 1.922) 9.591 1.488 ( -5.928 5.463 2.917) 8.573 1.488 ( 5.928 5.463 2.917) 8.573 1.598 ( -3.056 2.242 -1.648) 4.133 1.598 ( 3.056 2.242 -1.648) 4.133 1.683 ( -3.666 4.652 -6.093) 8.497 1.683 ( 3.666 4.652 -6.093) 8.497 1.990 ( -0.605 -4.609 0.644) 4.693 1.990 ( 0.605 -4.609 0.644) 4.693 2.066 ( -0.507 2.880 0.252) 2.935 2.066 ( 0.507 2.880 0.252) 2.935 2.183 ( -1.976 1.826 2.836) 3.909 2.183 ( 1.976 1.826 2.836) 3.909 2.235 ( -0.679 -0.638 -2.438) 2.610 2.235 ( 0.679 -0.638 -2.438) 2.610 2.359 ( -1.391 1.574 0.106) 2.104 2.359 ( 1.391 1.574 0.106) 2.104 2.444 ( -5.215 5.153 4.204) 8.451 2.444 ( 5.215 5.153 4.204) 8.451 2.494 ( -4.042 6.991 -0.223) 8.078 2.494 ( 4.042 6.991 -0.223) 8.078 2.556 ( -2.690 1.677 -4.098) 5.181 2.556 ( 2.690 1.677 -4.098) 5.181 2.681 ( -4.676 2.899 1.105) 5.612 2.681 ( 4.676 2.899 1.105) 5.612 2.813 ( -1.077 -1.198 -1.187) 2.001 2.813 ( 1.077 -1.198 -1.187) 2.001 3.153 ( -4.389 2.935 5.070) 7.320 3.153 ( 4.389 2.935 5.070) 7.320 3.259 ( -0.522 0.259 -0.604) 0.839 3.259 ( 0.522 0.259 -0.604) 0.839 3.345 ( -3.190 2.730 -3.769) 5.642 3.345 ( 3.190 2.730 -3.769) 5.642 3.424 ( -0.632 -1.675 0.180) 1.800 3.424 ( 0.632 -1.675 0.180) 1.800 3.643 ( -2.435 -1.248 0.855) 2.867 3.643 ( 2.435 -1.248 0.855) 2.867 3.700 ( -1.992 -1.613 -1.779) 3.120 3.700 ( 1.992 -1.613 -1.779) 3.120 4.014 ( -3.318 5.984 2.340) 7.231 4.014 ( 3.318 5.984 2.340) 7.231 4.044 ( -2.957 5.203 -0.458) 6.002 4.044 ( 2.957 5.203 -0.458) 6.002 4.555 ( -7.594 -5.862 10.231) 14.025 4.555 ( 7.594 -5.862 10.231) 14.025 4.778 ( -10.476 -9.155 -10.676) 17.537 4.778 ( 10.476 -9.155 -10.676) 17.537 7.372 ( -1.163 -2.027 0.910) 2.508 7.372 ( 1.163 -2.027 0.910) 2.508 7.438 ( -0.053 2.248 -0.175) 2.255 7.438 ( 0.053 2.248 -0.175) 2.255 7.527 ( -0.345 4.405 0.071) 4.419 7.527 ( 0.345 4.405 0.071) 4.419 7.617 ( -1.379 -1.347 -0.149) 1.933 7.617 ( 1.379 -1.347 -0.149) 1.933 10.738 ( -0.677 -0.854 0.676) 1.283 10.738 ( 0.677 -0.854 0.676) 1.283 10.799 ( -0.697 -1.879 -0.652) 2.107 10.799 ( 0.697 -1.879 -0.652) 2.107 10.881 ( -0.255 -0.640 -0.264) 0.738 10.881 ( 0.255 -0.640 -0.264) 0.738 10.990 ( -1.235 -1.404 0.306) 1.895 10.990 ( 1.235 -1.404 0.306) 1.895 11.082 ( -1.703 3.025 0.719) 3.545 11.082 ( 1.703 3.025 0.719) 3.545 11.108 ( -1.035 3.300 -1.261) 3.682 11.108 ( 1.035 3.300 -1.261) 3.682 16.096 ( -0.072 -0.186 0.019) 0.201 16.096 ( 0.072 -0.186 0.019) 0.201 16.151 ( -0.064 -0.960 0.017) 0.962 16.151 ( 0.064 -0.960 0.017) 0.962 23.531 ( -2.294 -1.749 3.132) 4.258 23.531 ( 2.294 -1.749 3.132) 4.258 23.685 ( -1.831 -3.888 -1.334) 4.500 23.685 ( 1.831 -3.888 -1.334) 4.500 23.965 ( -1.574 6.233 0.193) 6.432 23.965 ( 1.574 6.233 0.193) 6.432 24.114 ( -4.110 6.337 -2.709) 8.024 24.114 ( 4.110 6.337 -2.709) 8.024 25.074 ( -2.293 -3.790 5.385) 6.972 25.074 ( 2.293 -3.790 5.385) 6.972 25.313 ( -4.269 -5.234 -4.575) 8.157 25.313 ( 4.269 -5.234 -4.575) 8.157 ======================= Grid point 147 (53/60) ======================= q-point: ( 0.00 0.33 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 0.000 9.809 7.699) 12.469 1.321 ( 0.000 11.163 5.654) 12.513 1.384 ( 0.000 6.684 -6.640) 9.422 1.429 ( 0.000 7.651 -3.517) 8.420 1.673 ( 0.000 -2.464 1.466) 2.867 1.710 ( 0.000 1.333 -2.377) 2.725 1.768 ( 0.000 3.978 0.520) 4.011 1.791 ( 0.000 5.463 -1.777) 5.744 1.896 ( 0.000 -1.709 5.715) 5.965 1.997 ( 0.000 2.499 2.560) 3.578 2.025 ( 0.000 -1.750 -6.767) 6.990 2.027 ( 0.000 -3.059 1.857) 3.578 2.042 ( 0.000 2.180 -2.363) 3.215 2.077 ( 0.000 -3.772 -3.041) 4.845 2.171 ( 0.000 -1.628 5.427) 5.666 2.235 ( 0.000 -0.706 0.015) 0.707 2.242 ( 0.000 1.774 0.260) 1.793 2.283 ( 0.000 -3.095 -4.800) 5.711 2.386 ( 0.000 4.881 2.763) 5.609 2.450 ( 0.000 -0.186 -3.308) 3.313 2.514 ( 0.000 2.837 2.591) 3.842 2.560 ( 0.000 2.922 -1.309) 3.201 2.637 ( 0.000 6.392 3.052) 7.083 2.667 ( 0.000 6.125 -0.258) 6.131 2.782 ( 0.000 -0.872 4.503) 4.587 2.790 ( 0.000 7.235 4.526) 8.534 2.917 ( 0.000 -4.966 -1.600) 5.218 2.975 ( 0.000 2.845 -8.594) 9.053 3.040 ( 0.000 2.000 2.507) 3.207 3.089 ( 0.000 -2.696 -2.147) 3.447 3.142 ( 0.000 -1.605 2.391) 2.880 3.259 ( 0.000 -6.361 -7.419) 9.772 3.368 ( 0.000 -0.768 -1.388) 1.586 3.376 ( 0.000 -1.410 -1.992) 2.440 3.533 ( 0.000 1.800 0.272) 1.821 3.540 ( 0.000 1.085 -0.241) 1.111 3.645 ( 0.000 3.692 1.795) 4.105 3.671 ( 0.000 2.199 -0.955) 2.398 3.833 ( 0.000 1.836 0.992) 2.087 3.842 ( 0.000 1.623 0.321) 1.655 3.960 ( 0.000 2.771 -0.367) 2.795 3.963 ( 0.000 2.389 -0.562) 2.454 4.203 ( 0.000 2.491 3.873) 4.605 4.228 ( 0.000 4.370 1.619) 4.660 4.280 ( 0.000 2.553 -0.542) 2.610 4.302 ( 0.000 0.247 -2.802) 2.813 4.635 ( 0.000 -9.991 12.256) 15.813 4.847 ( 0.000 -12.888 -8.860) 15.640 7.192 ( 0.000 -0.526 0.509) 0.732 7.208 ( 0.000 -1.007 -1.006) 1.423 7.363 ( 0.000 -1.806 0.978) 2.054 7.389 ( 0.000 -2.517 -1.514) 2.937 7.557 ( 0.000 5.068 1.065) 5.179 7.578 ( 0.000 5.205 -1.005) 5.301 7.714 ( 0.000 0.969 2.450) 2.635 7.754 ( 0.000 0.176 -1.455) 1.466 10.654 ( 0.000 -0.713 -0.593) 0.927 10.654 ( 0.000 -0.739 -0.573) 0.935 10.811 ( 0.000 -0.512 -0.277) 0.582 10.812 ( 0.000 -0.512 -0.299) 0.593 10.913 ( 0.000 -0.858 -0.098) 0.863 10.916 ( 0.000 -0.893 -0.276) 0.934 11.000 ( 0.000 -0.331 1.033) 1.085 11.025 ( 0.000 -0.677 -1.349) 1.510 11.234 ( 0.000 0.887 2.208) 2.380 11.238 ( 0.000 0.683 1.560) 1.703 11.301 ( 0.000 4.444 -0.163) 4.447 11.316 ( 0.000 4.269 -1.323) 4.469 16.080 ( 0.000 -0.607 0.145) 0.624 16.083 ( 0.000 -0.823 -0.180) 0.842 16.098 ( 0.000 -0.375 0.205) 0.427 16.101 ( 0.000 -0.294 -0.027) 0.295 23.365 ( 0.000 -0.435 2.308) 2.348 23.435 ( 0.000 -2.510 -4.443) 5.103 23.682 ( 0.000 -3.776 4.676) 6.010 23.749 ( 0.000 -5.034 -2.243) 5.512 24.057 ( 0.000 4.927 0.592) 4.962 24.066 ( 0.000 4.727 -0.403) 4.744 24.335 ( 0.000 2.483 1.912) 3.134 24.371 ( 0.000 1.922 -1.794) 2.630 24.646 ( 0.000 -4.924 4.526) 6.688 24.733 ( 0.000 -6.856 -4.283) 8.084 25.128 ( 0.000 3.083 6.967) 7.619 25.276 ( 0.000 -0.207 -7.870) 7.872 ======================= Grid point 148 (54/60) ======================= q-point: ( 0.17 0.33 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 4.773 9.009 6.832) 12.273 1.348 ( 2.787 11.970 7.741) 14.525 1.417 ( 3.007 5.651 -6.181) 8.899 1.485 ( 4.766 6.116 -5.812) 9.690 1.686 ( 0.913 -1.249 2.224) 2.709 1.735 ( 1.440 0.956 -2.677) 3.186 1.752 ( -0.845 3.024 -0.033) 3.140 1.778 ( -1.019 3.449 -2.660) 4.473 1.921 ( 0.686 -3.877 3.456) 5.239 1.968 ( -1.641 -1.387 -0.833) 2.305 2.037 ( 1.437 1.026 0.009) 1.765 2.072 ( 2.080 -1.642 -3.463) 4.361 2.091 ( 3.397 1.491 2.725) 4.603 2.148 ( 4.231 2.394 -2.363) 5.406 2.205 ( 2.821 -4.247 1.807) 5.409 2.234 ( 1.154 0.903 1.206) 1.898 2.245 ( 0.383 -4.968 -1.767) 5.287 2.278 ( 1.988 2.230 -2.667) 4.005 2.426 ( 1.747 5.216 3.719) 6.641 2.473 ( -1.062 3.831 0.028) 3.976 2.502 ( 1.074 -1.586 -0.584) 2.003 2.527 ( -1.225 3.147 -1.839) 3.846 2.618 ( -2.836 6.116 3.750) 7.715 2.651 ( 0.197 4.230 0.636) 4.282 2.722 ( -0.385 3.980 2.120) 4.526 2.805 ( -2.632 0.729 -5.379) 6.033 2.889 ( 1.036 4.754 7.277) 8.754 3.013 ( -1.687 1.591 -0.105) 2.321 3.049 ( 1.069 0.662 -2.992) 3.245 3.098 ( 3.543 -2.437 -3.595) 5.606 3.215 ( 4.667 -1.365 1.312) 5.036 3.264 ( 0.666 -4.024 -2.719) 4.902 3.334 ( -2.628 0.558 -1.768) 3.216 3.345 ( -1.751 -1.087 -2.267) 3.064 3.510 ( -2.379 -0.284 0.375) 2.425 3.519 ( -2.169 -0.378 -0.369) 2.233 3.626 ( -0.967 2.706 1.457) 3.222 3.650 ( -1.611 1.808 -0.968) 2.608 3.814 ( -2.213 1.562 1.129) 2.935 3.823 ( -2.175 1.413 -0.058) 2.594 4.003 ( 3.010 4.066 0.397) 5.075 4.011 ( 4.005 4.133 -0.447) 5.772 4.183 ( -0.788 -0.080 2.685) 2.799 4.223 ( -1.554 2.544 -0.400) 3.007 4.280 ( 1.048 2.683 0.736) 2.973 4.314 ( 1.871 0.033 -2.533) 3.149 4.626 ( -1.070 -8.596 12.585) 15.278 4.847 ( -0.885 -12.316 -9.404) 15.521 7.219 ( 2.287 -0.806 0.637) 2.507 7.237 ( 2.514 -1.387 -1.079) 3.067 7.386 ( 1.707 -2.152 1.106) 2.961 7.408 ( 1.546 -2.627 -1.180) 3.269 7.560 ( 0.316 5.075 0.997) 5.182 7.580 ( 0.175 5.205 -0.983) 5.300 7.700 ( -1.199 1.220 1.910) 2.565 7.735 ( -1.669 0.433 -1.421) 2.234 10.663 ( 0.944 -0.711 -0.098) 1.186 10.669 ( 1.117 -0.921 -0.723) 1.619 10.816 ( 0.230 -0.554 -0.064) 0.603 10.816 ( 0.427 -0.603 -0.270) 0.786 10.907 ( -0.998 -0.351 0.568) 1.201 10.922 ( 0.152 -0.386 -0.781) 0.885 10.969 ( -2.200 -0.851 1.379) 2.732 11.004 ( -1.390 -1.243 -1.882) 2.650 11.189 ( -3.402 1.574 1.863) 4.186 11.202 ( -3.102 0.778 0.848) 3.309 11.269 ( -2.452 4.469 0.242) 5.103 11.287 ( -2.552 3.746 -1.150) 4.677 16.083 ( 0.267 -0.319 0.122) 0.433 16.085 ( 0.211 -0.463 -0.103) 0.519 16.108 ( 0.752 -0.665 0.139) 1.014 16.110 ( 0.711 -0.608 -0.017) 0.936 23.388 ( 2.024 -0.500 2.515) 3.267 23.458 ( 1.901 -2.401 -4.192) 5.192 23.660 ( -1.823 -3.602 4.318) 5.911 23.722 ( -2.271 -4.965 -2.043) 5.830 24.008 ( -2.387 3.616 0.164) 4.336 24.019 ( -2.089 3.480 -0.948) 4.168 24.344 ( -1.164 5.573 4.624) 7.335 24.443 ( 1.066 6.064 -5.500) 8.256 24.702 ( 6.461 -7.367 5.486) 11.230 24.808 ( 7.262 -7.333 -5.116) 11.519 25.123 ( -0.053 2.691 8.255) 8.683 25.281 ( 0.333 -1.371 -7.628) 7.758 ======================= Grid point 149 (55/60) ======================= q-point: ( 0.33 0.33 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 5.979 9.184 4.353) 11.792 1.445 ( 5.487 8.345 5.084) 11.207 1.512 ( 5.545 5.627 -1.444) 8.031 1.601 ( 4.408 3.301 -4.224) 6.941 1.687 ( -1.451 4.217 1.606) 4.740 1.705 ( -3.415 3.173 -0.573) 4.696 1.752 ( -1.025 1.785 -3.191) 3.797 1.770 ( 1.180 0.265 -4.019) 4.197 1.905 ( -1.305 -3.617 0.558) 3.886 1.925 ( -1.954 -1.139 -1.399) 2.659 2.075 ( 2.277 -1.278 1.058) 2.817 2.100 ( 0.650 -2.066 -1.328) 2.541 2.132 ( -0.816 0.773 1.010) 1.511 2.167 ( -0.198 -1.570 -2.602) 3.046 2.240 ( 0.127 -1.781 1.961) 2.652 2.282 ( 0.621 -1.741 -1.509) 2.386 2.299 ( 0.366 -4.333 -0.693) 4.403 2.309 ( -0.273 -0.392 -1.918) 1.976 2.466 ( 3.507 1.029 1.452) 3.933 2.486 ( 1.735 5.428 -0.751) 5.748 2.505 ( 4.117 5.042 2.439) 6.952 2.544 ( 2.770 3.569 -0.813) 4.590 2.647 ( 3.664 4.793 3.438) 6.944 2.683 ( 2.113 3.677 -0.350) 4.256 2.719 ( -0.190 6.747 2.472) 7.188 2.783 ( -0.049 3.622 -3.440) 4.996 2.882 ( -1.712 7.733 2.372) 8.268 2.932 ( -4.575 3.651 -1.973) 6.177 3.091 ( 2.676 0.425 4.368) 5.141 3.182 ( 2.843 -1.022 -3.312) 4.483 3.277 ( 0.080 -0.292 -0.179) 0.352 3.284 ( -1.480 0.289 -0.351) 1.548 3.296 ( 2.657 -1.866 1.173) 3.453 3.348 ( 1.826 -0.800 -3.026) 3.624 3.434 ( -3.498 -1.311 1.577) 4.055 3.463 ( -2.659 -1.625 -1.224) 3.348 3.615 ( -0.199 1.299 0.198) 1.329 3.624 ( -0.053 -0.087 -0.811) 0.818 3.741 ( -4.094 0.956 0.742) 4.269 3.751 ( -4.092 -0.111 -0.061) 4.094 4.060 ( 2.252 5.329 1.862) 6.078 4.088 ( 2.716 5.498 -0.670) 6.169 4.157 ( -1.928 2.381 1.335) 3.342 4.178 ( -2.092 2.190 -0.325) 3.046 4.345 ( 4.693 -0.302 2.695) 5.421 4.418 ( 7.547 -4.858 -4.474) 10.028 4.575 ( -3.717 -6.230 10.793) 13.005 4.777 ( -5.704 -10.374 -9.076) 14.917 7.281 ( 3.202 -1.250 0.992) 3.578 7.303 ( 3.117 -1.799 -1.136) 3.774 7.414 ( 0.433 -3.055 1.309) 3.352 7.433 ( 0.154 -3.120 -0.686) 3.198 7.575 ( 1.239 4.994 0.729) 5.197 7.590 ( 1.019 4.978 -0.802) 5.144 7.668 ( -1.641 2.090 0.672) 2.741 7.688 ( -2.426 1.434 -1.094) 3.023 10.690 ( 1.530 -0.714 0.443) 1.746 10.700 ( 1.710 -0.956 -0.459) 2.012 10.805 ( -2.032 -0.869 1.058) 2.450 10.815 ( -1.434 -1.112 -0.129) 1.820 10.872 ( -0.624 0.510 0.225) 0.836 10.889 ( -1.732 0.288 -1.300) 2.184 10.955 ( 0.135 -1.547 1.309) 2.031 10.985 ( -0.843 -1.928 -1.477) 2.571 11.127 ( -1.514 2.294 1.086) 2.956 11.140 ( -1.415 1.936 -0.263) 2.412 11.211 ( -2.741 3.378 0.023) 4.350 11.218 ( -3.426 2.993 -0.516) 4.579 16.090 ( 0.337 -0.009 0.082) 0.347 16.091 ( 0.283 -0.078 -0.025) 0.295 16.124 ( 0.603 -0.946 0.078) 1.125 16.125 ( 0.564 -0.939 -0.002) 1.095 23.446 ( 3.071 -0.603 2.821) 4.213 23.504 ( 1.894 -1.828 -2.442) 3.590 23.617 ( -1.778 -3.301 2.729) 4.638 23.665 ( -2.790 -4.280 -1.681) 5.379 24.002 ( 1.897 3.398 0.234) 3.899 24.024 ( 2.786 3.163 -2.067) 4.695 24.257 ( -5.876 5.247 3.868) 8.776 24.355 ( -7.454 3.827 -6.276) 10.469 24.894 ( 9.056 -3.137 5.570) 11.085 24.994 ( 7.566 -4.009 -3.878) 9.400 25.137 ( 1.644 -0.196 7.433) 7.615 25.278 ( -1.040 -3.322 -6.378) 7.266 ======================= Grid point 150 (56/60) ======================= q-point: (-0.50 0.33 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( -2.621 6.374 1.553) 7.065 1.523 ( 2.621 6.374 1.553) 7.065 1.592 ( -2.321 5.848 4.302) 7.622 1.592 ( 2.321 5.848 4.302) 7.622 1.656 ( -1.924 4.219 -2.453) 5.246 1.656 ( 1.924 4.219 -2.453) 5.246 1.767 ( -1.630 2.931 -4.856) 5.901 1.767 ( 1.630 2.931 -4.856) 5.901 1.896 ( -0.671 -3.469 -0.391) 3.554 1.896 ( 0.671 -3.469 -0.391) 3.554 2.093 ( -0.447 -0.443 -0.783) 1.005 2.093 ( 0.447 -0.443 -0.783) 1.005 2.160 ( -2.800 -2.703 -0.234) 3.899 2.160 ( 2.800 -2.703 -0.234) 3.899 2.228 ( -1.793 -5.416 -1.908) 6.016 2.228 ( 1.793 -5.416 -1.908) 6.016 2.308 ( -0.195 0.908 0.204) 0.951 2.308 ( 0.195 0.908 0.204) 0.951 2.510 ( -0.170 -0.949 1.061) 1.434 2.510 ( 0.170 -0.949 1.061) 1.434 2.620 ( -3.659 6.056 2.072) 7.373 2.620 ( 3.659 6.056 2.072) 7.373 2.663 ( -3.414 7.387 -1.759) 8.326 2.663 ( 3.414 7.387 -1.759) 8.326 2.772 ( -3.138 5.525 2.387) 6.787 2.772 ( 3.138 5.525 2.387) 6.787 2.852 ( -1.944 5.894 -2.430) 6.665 2.852 ( 1.944 5.894 -2.430) 6.665 3.174 ( -3.833 -0.293 4.217) 5.707 3.174 ( 3.833 -0.293 4.217) 5.707 3.265 ( -0.303 0.183 -0.194) 0.404 3.265 ( 0.303 0.183 -0.194) 0.404 3.356 ( -1.733 -0.940 -1.363) 2.397 3.356 ( 1.733 -0.940 -1.363) 2.397 3.413 ( -1.518 -1.120 -0.738) 2.026 3.413 ( 1.518 -1.120 -0.738) 2.026 3.635 ( -1.264 0.247 -0.165) 1.299 3.635 ( 1.264 0.247 -0.165) 1.299 3.677 ( -1.053 -0.446 -0.445) 1.227 3.677 ( 1.053 -0.446 -0.445) 1.227 4.108 ( -2.183 4.024 1.999) 4.995 4.108 ( 2.183 4.024 1.999) 4.995 4.137 ( -1.812 3.949 -0.856) 4.428 4.137 ( 1.812 3.949 -0.856) 4.428 4.462 ( -5.553 -3.394 6.969) 9.535 4.462 ( 5.553 -3.394 6.969) 9.535 4.613 ( -8.818 -7.854 -7.182) 13.821 4.613 ( 8.818 -7.854 -7.182) 13.821 7.337 ( -1.026 -1.451 0.518) 1.851 7.337 ( 1.026 -1.451 0.518) 1.851 7.416 ( -0.832 -3.389 -0.113) 3.491 7.416 ( 0.832 -3.389 -0.113) 3.491 7.609 ( -0.917 4.056 0.081) 4.159 7.609 ( 0.917 4.056 0.081) 4.159 7.643 ( -0.862 2.856 -0.483) 3.022 7.643 ( 0.862 2.856 -0.483) 3.022 10.726 ( -1.024 -0.287 0.773) 1.315 10.726 ( 1.024 -0.287 0.773) 1.315 10.766 ( -1.175 -1.560 -0.122) 1.957 10.766 ( 1.175 -1.560 -0.122) 1.957 10.879 ( -0.195 0.438 -0.416) 0.635 10.879 ( 0.195 0.438 -0.416) 0.635 10.959 ( -0.860 -1.759 0.056) 1.959 10.959 ( 0.860 -1.759 0.056) 1.959 11.138 ( -1.294 2.710 0.322) 3.020 11.138 ( 1.294 2.710 0.322) 3.020 11.164 ( -0.783 2.334 -0.609) 2.536 11.164 ( 0.783 2.334 -0.609) 2.536 16.094 ( -0.026 0.084 0.036) 0.095 16.094 ( 0.026 0.084 0.036) 0.095 16.131 ( -0.022 -1.052 0.028) 1.053 16.131 ( 0.022 -1.052 0.028) 1.053 23.507 ( -2.002 -0.709 2.113) 2.996 23.507 ( 2.002 -0.709 2.113) 2.996 23.612 ( -1.666 -3.810 -1.110) 4.304 23.612 ( 1.666 -3.810 -1.110) 4.304 24.071 ( -2.634 4.849 0.090) 5.519 24.071 ( 2.634 4.849 0.090) 5.519 24.195 ( -4.682 1.964 -2.757) 5.777 24.195 ( 4.682 1.964 -2.757) 5.777 25.036 ( -3.334 0.078 4.794) 5.839 25.036 ( 3.334 0.078 4.794) 5.839 25.218 ( -4.486 -4.609 -3.163) 7.168 25.218 ( 4.486 -4.609 -3.163) 7.168 ======================= Grid point 154 (57/60) ======================= q-point: ( 0.00 0.44 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 0.000 6.926 3.615) 7.813 1.447 ( 0.000 2.638 -0.813) 2.760 1.487 ( 0.000 1.137 -1.051) 1.549 1.504 ( 0.000 0.220 -1.397) 1.414 1.680 ( 0.000 5.165 5.612) 7.627 1.777 ( 0.000 1.619 -1.238) 2.038 1.808 ( 0.000 0.081 -0.449) 0.456 1.833 ( 0.000 2.461 -0.682) 2.554 1.911 ( 0.000 2.062 0.392) 2.099 1.963 ( 0.000 -4.677 -4.379) 6.407 1.981 ( 0.000 -0.582 1.018) 1.172 2.007 ( 0.000 -0.431 1.353) 1.420 2.019 ( 0.000 -1.881 -2.217) 2.907 2.035 ( 0.000 -3.526 -1.812) 3.965 2.174 ( 0.000 2.274 3.099) 3.844 2.211 ( 0.000 -0.845 1.761) 1.953 2.260 ( 0.000 0.233 -4.679) 4.684 2.268 ( 0.000 0.468 -2.977) 3.013 2.422 ( 0.000 -0.451 -1.543) 1.608 2.422 ( 0.000 -1.214 -1.540) 1.961 2.588 ( 0.000 4.085 1.665) 4.412 2.615 ( 0.000 1.926 -0.528) 1.997 2.722 ( 0.000 1.327 3.730) 3.959 2.733 ( 0.000 -2.273 5.468) 5.921 2.768 ( 0.000 3.304 0.297) 3.317 2.817 ( 0.000 -3.733 0.266) 3.742 2.923 ( 0.000 5.741 2.823) 6.398 2.991 ( 0.000 -1.282 -1.277) 1.810 3.063 ( 0.000 0.945 0.255) 0.979 3.088 ( 0.000 1.508 -4.836) 5.065 3.122 ( 0.000 -0.944 -1.253) 1.568 3.135 ( 0.000 -4.916 -0.886) 4.995 3.354 ( 0.000 -0.399 -2.082) 2.120 3.358 ( 0.000 -0.697 -2.360) 2.461 3.564 ( 0.000 0.956 -0.095) 0.960 3.565 ( 0.000 0.967 -0.332) 1.022 3.708 ( 0.000 2.219 0.725) 2.334 3.712 ( 0.000 1.614 0.382) 1.658 3.862 ( 0.000 1.096 0.684) 1.292 3.868 ( 0.000 0.679 0.171) 0.700 3.978 ( 0.000 0.072 -0.861) 0.864 3.982 ( 0.000 -0.085 -1.285) 1.287 4.258 ( 0.000 2.403 3.191) 3.995 4.292 ( 0.000 -1.264 -0.546) 1.377 4.349 ( 0.000 5.176 0.928) 5.259 4.366 ( 0.000 9.930 0.084) 9.930 4.473 ( 0.000 -6.973 7.154) 9.990 4.598 ( 0.000 -13.082 -4.928) 13.979 7.188 ( 0.000 0.111 0.100) 0.149 7.194 ( 0.000 -0.494 -0.434) 0.657 7.337 ( 0.000 -0.603 0.015) 0.603 7.347 ( 0.000 -1.565 -0.896) 1.803 7.643 ( 0.000 3.580 1.130) 3.754 7.662 ( 0.000 2.732 -0.647) 2.807 7.716 ( 0.000 -0.187 1.335) 1.348 7.740 ( 0.000 -1.606 -0.932) 1.857 10.646 ( 0.000 -0.129 -0.480) 0.497 10.647 ( 0.000 -0.190 -0.609) 0.638 10.805 ( 0.000 -0.140 -0.184) 0.231 10.806 ( 0.000 -0.198 -0.198) 0.280 10.902 ( 0.000 -0.245 -0.107) 0.267 10.903 ( 0.000 -0.381 -0.206) 0.433 10.999 ( 0.000 0.264 0.212) 0.338 11.010 ( 0.000 -0.828 -0.817) 1.163 11.245 ( 0.000 0.339 1.437) 1.477 11.246 ( 0.000 0.197 1.246) 1.261 11.366 ( 0.000 2.009 0.110) 2.012 11.372 ( 0.000 1.400 -0.404) 1.458 16.071 ( 0.000 -0.277 -0.041) 0.280 16.071 ( 0.000 -0.362 -0.112) 0.379 16.095 ( 0.000 -0.025 0.232) 0.234 16.096 ( 0.000 -0.163 0.088) 0.185 23.372 ( 0.000 1.019 -0.145) 1.029 23.397 ( 0.000 -1.586 -2.534) 2.990 23.634 ( 0.000 -0.815 2.299) 2.439 23.661 ( 0.000 -3.538 -0.471) 3.569 24.127 ( 0.000 2.169 0.308) 2.191 24.130 ( 0.000 1.819 -0.055) 1.820 24.378 ( 0.000 1.815 2.118) 2.789 24.395 ( 0.000 0.246 0.412) 0.480 24.584 ( 0.000 -0.876 1.099) 1.405 24.621 ( 0.000 -4.452 -2.491) 5.101 25.196 ( 0.000 3.674 2.510) 4.450 25.254 ( 0.000 -2.208 -3.197) 3.885 ======================= Grid point 155 (58/60) ======================= q-point: ( 0.17 0.44 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 3.724 6.407 3.519) 8.203 1.498 ( 4.468 3.110 -1.275) 5.592 1.509 ( 2.085 1.073 -0.027) 2.345 1.542 ( 3.399 0.556 -1.687) 3.835 1.680 ( 0.064 3.718 5.410) 6.565 1.771 ( -0.577 0.557 -1.152) 1.403 1.818 ( 0.827 -1.211 1.652) 2.209 1.847 ( 0.874 5.039 -2.403) 5.651 1.867 ( -2.295 1.153 0.306) 2.587 1.927 ( -2.026 0.305 -4.145) 4.624 1.999 ( 0.480 -5.857 -0.598) 5.907 2.028 ( 0.069 -3.529 -2.791) 4.499 2.099 ( 5.003 -1.920 0.584) 5.390 2.114 ( 5.678 -3.003 -0.737) 6.465 2.186 ( 1.177 2.528 1.144) 3.014 2.230 ( -0.729 0.246 -2.202) 2.332 2.242 ( 2.681 2.562 -0.198) 3.714 2.285 ( 1.156 -0.855 -3.590) 3.867 2.457 ( 0.628 -0.634 1.169) 1.470 2.469 ( 1.754 -1.353 0.222) 2.226 2.583 ( 1.452 5.749 -0.059) 5.929 2.599 ( -1.244 4.249 -0.907) 4.519 2.667 ( -2.232 -1.417 2.985) 3.988 2.690 ( -2.421 -2.012 0.895) 3.273 2.764 ( 1.048 2.637 2.280) 3.640 2.798 ( 0.209 -0.227 -0.575) 0.653 2.998 ( 5.146 2.975 4.179) 7.266 3.028 ( 1.326 -1.707 0.654) 2.258 3.051 ( -0.675 3.441 0.842) 3.606 3.126 ( 3.485 4.625 -5.246) 7.814 3.143 ( 2.367 -5.134 2.513) 6.187 3.208 ( 4.146 -3.044 -2.365) 5.661 3.329 ( -1.883 -0.422 -2.070) 2.830 3.331 ( -1.915 -0.504 -1.798) 2.674 3.519 ( -4.006 0.597 -0.574) 4.091 3.522 ( -3.843 0.274 -0.764) 3.927 3.672 ( -2.574 1.774 1.110) 3.317 3.681 ( -2.435 0.927 0.334) 2.626 3.840 ( -2.704 0.972 0.568) 2.929 3.844 ( -2.711 0.673 0.113) 2.796 4.038 ( 5.105 0.238 -0.678) 5.155 4.041 ( 5.087 -0.073 -0.935) 5.173 4.202 ( -2.532 1.777 1.713) 3.536 4.231 ( -3.140 -1.086 -1.220) 3.539 4.360 ( 0.165 5.567 2.671) 6.177 4.402 ( 0.397 7.600 -0.985) 7.674 4.487 ( 1.203 -5.526 7.377) 9.296 4.615 ( 0.680 -11.897 -5.022) 12.932 7.211 ( 2.006 0.005 0.043) 2.006 7.217 ( 2.086 -0.653 -0.543) 2.253 7.354 ( 1.274 -0.752 0.278) 1.506 7.363 ( 1.257 -1.646 -0.615) 2.160 7.646 ( 0.269 3.599 1.027) 3.752 7.665 ( 0.245 3.031 -0.837) 3.154 7.704 ( -0.937 -0.439 1.160) 1.555 7.726 ( -1.117 -1.401 -0.972) 2.038 10.656 ( 0.901 -0.096 -0.279) 0.948 10.658 ( 0.950 -0.325 -0.505) 1.124 10.808 ( 0.213 -0.182 -0.039) 0.283 10.809 ( 0.196 -0.218 -0.036) 0.296 10.907 ( 0.070 0.325 0.588) 0.675 10.916 ( 0.975 -0.412 0.003) 1.058 10.962 ( -3.098 0.236 -0.076) 3.108 10.978 ( -2.347 -1.333 -1.429) 3.054 11.210 ( -2.721 0.663 1.265) 3.073 11.214 ( -2.619 0.288 0.964) 2.805 11.331 ( -2.930 1.861 0.087) 3.472 11.336 ( -3.000 1.267 -0.401) 3.281 16.077 ( 0.573 -0.150 -0.014) 0.592 16.078 ( 0.585 -0.229 -0.105) 0.637 16.100 ( 0.420 -0.152 0.215) 0.496 16.102 ( 0.419 -0.275 0.069) 0.505 23.393 ( 1.879 0.965 0.096) 2.114 23.419 ( 1.917 -1.692 -2.400) 3.507 23.615 ( -1.548 -0.750 2.175) 2.773 23.639 ( -1.754 -3.229 -0.306) 3.687 24.058 ( -3.026 1.518 -0.280) 3.396 24.063 ( -2.878 1.059 -0.772) 3.162 24.447 ( -0.261 5.365 5.127) 7.425 24.533 ( -4.795 -0.125 -1.326) 4.976 24.591 ( 13.315 -0.525 1.692) 13.432 24.679 ( 8.335 -6.187 -4.810) 11.440 25.186 ( -0.687 3.556 3.271) 4.881 25.245 ( -0.669 -2.505 -2.632) 3.694 ======================= Grid point 156 (59/60) ======================= q-point: ( 0.33 0.44 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 4.836 4.875 2.503) 7.309 1.569 ( 3.175 2.873 -0.272) 4.291 1.617 ( 4.714 0.256 0.586) 4.757 1.642 ( 5.776 4.028 0.471) 7.057 1.685 ( 0.423 -0.123 3.259) 3.289 1.749 ( -1.388 1.133 0.000) 1.792 1.819 ( -2.313 2.775 -0.995) 3.747 1.840 ( 0.294 -2.108 0.631) 2.220 1.856 ( 0.590 7.752 -4.094) 8.786 1.904 ( 0.240 -0.111 -3.092) 3.103 2.004 ( -0.167 -6.545 -2.244) 6.921 2.014 ( 0.005 -7.389 -3.013) 7.980 2.135 ( -2.014 0.321 -0.721) 2.164 2.142 ( -1.461 -0.517 -1.292) 2.018 2.198 ( -1.930 -0.211 -0.138) 1.946 2.217 ( -2.922 -1.917 -1.879) 3.968 2.323 ( 3.575 2.934 -0.460) 4.648 2.340 ( 2.770 3.124 -2.090) 4.669 2.415 ( 0.109 -3.593 1.041) 3.742 2.449 ( -1.445 -4.764 -2.217) 5.450 2.632 ( 4.980 5.802 4.107) 8.679 2.681 ( 5.279 6.221 0.446) 8.171 2.697 ( 3.351 -0.327 4.418) 5.555 2.727 ( 2.588 0.655 2.457) 3.628 2.793 ( 1.805 2.834 0.803) 3.455 2.832 ( 3.917 0.235 -2.544) 4.677 3.003 ( -3.476 4.495 1.727) 5.939 3.035 ( -1.512 1.948 -0.598) 2.537 3.107 ( 4.090 3.293 3.916) 6.551 3.189 ( 1.369 2.415 -2.646) 3.835 3.205 ( 2.781 -4.806 1.685) 5.803 3.268 ( -0.136 -3.019 -2.517) 3.933 3.296 ( 0.573 0.863 0.620) 1.207 3.319 ( 1.204 -1.680 -2.296) 3.089 3.418 ( -4.073 -0.054 -0.307) 4.085 3.432 ( -3.708 -1.345 -1.576) 4.248 3.629 ( -0.757 0.572 0.848) 1.272 3.634 ( -1.147 0.300 0.414) 1.256 3.755 ( -4.709 0.472 0.634) 4.775 3.758 ( -4.659 0.366 0.287) 4.683 4.130 ( 2.169 2.080 1.636) 3.421 4.147 ( 3.613 0.511 0.411) 3.672 4.181 ( -0.087 0.901 -0.779) 1.194 4.195 ( -0.457 -0.324 -1.434) 1.540 4.377 ( 2.634 2.272 1.353) 3.733 4.401 ( 0.803 2.290 -0.346) 2.451 4.491 ( -1.287 -1.102 5.101) 5.376 4.593 ( -3.002 -8.855 -4.438) 10.350 7.268 ( 3.020 -0.082 0.188) 3.027 7.276 ( 3.094 -0.939 -0.648) 3.297 7.371 ( -0.213 -1.088 0.651) 1.285 7.380 ( -0.212 -1.949 -0.276) 1.980 7.655 ( 0.593 3.158 0.537) 3.257 7.668 ( 0.088 3.003 -0.781) 3.104 7.688 ( -0.446 -0.266 0.406) 0.660 7.700 ( -1.128 -0.425 -0.740) 1.414 10.683 ( 1.648 -0.071 0.152) 1.656 10.687 ( 1.752 -0.430 -0.188) 1.813 10.795 ( -2.131 -0.173 0.884) 2.314 10.799 ( -1.833 -0.532 0.453) 1.962 10.887 ( -0.681 0.981 0.273) 1.225 10.898 ( -1.503 0.275 -0.619) 1.649 10.932 ( 0.065 -0.469 0.186) 0.509 10.949 ( -0.742 -1.745 -1.234) 2.262 11.160 ( -1.048 1.078 0.648) 1.637 11.165 ( -0.963 0.574 0.124) 1.128 11.257 ( -3.584 1.288 -0.078) 3.809 11.258 ( -3.846 1.096 -0.208) 4.004 16.091 ( 0.624 0.173 0.041) 0.649 16.092 ( 0.612 0.136 -0.059) 0.630 16.109 ( 0.313 -0.510 0.151) 0.617 16.110 ( 0.289 -0.566 0.027) 0.636 23.448 ( 2.988 0.841 0.676) 3.177 23.473 ( 2.779 -1.548 -1.690) 3.602 23.576 ( -2.025 -0.677 1.747) 2.759 23.596 ( -2.185 -2.632 -0.241) 3.429 24.049 ( 2.359 1.547 -0.463) 2.859 24.059 ( 2.786 0.575 -1.496) 3.214 24.335 ( -7.907 3.182 1.903) 8.733 24.378 ( -8.866 -1.077 -2.417) 9.252 24.878 ( 11.915 1.224 2.069) 12.155 24.924 ( 11.453 -3.231 -2.352) 12.130 25.166 ( -1.637 2.611 3.803) 4.895 25.220 ( -2.055 -2.968 -1.735) 4.006 ======================= Grid point 157 (60/60) ======================= q-point: (-0.50 0.44 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( -1.240 3.605 1.357) 4.047 1.607 ( 1.240 3.605 1.357) 4.047 1.671 ( -1.941 -1.927 3.062) 4.106 1.671 ( 1.941 -1.927 3.062) 4.106 1.739 ( -1.018 6.121 0.423) 6.219 1.739 ( 1.018 6.121 0.423) 6.219 1.796 ( -2.545 1.367 -3.701) 4.695 1.796 ( 2.545 1.367 -3.701) 4.695 1.902 ( -1.565 3.001 -1.820) 3.842 1.902 ( 1.565 3.001 -1.820) 3.842 2.011 ( -0.707 -7.367 -2.822) 7.921 2.011 ( 0.707 -7.367 -2.822) 7.921 2.121 ( -2.099 -0.650 -1.157) 2.484 2.121 ( 2.099 -0.650 -1.157) 2.484 2.139 ( -2.272 -2.544 -2.329) 4.130 2.139 ( 2.272 -2.544 -2.329) 4.130 2.364 ( -0.223 3.914 -0.359) 3.937 2.364 ( 0.223 3.914 -0.359) 3.937 2.448 ( -0.501 -4.592 -0.358) 4.633 2.448 ( 0.501 -4.592 -0.358) 4.633 2.712 ( -1.681 3.804 4.291) 5.976 2.712 ( 1.681 3.804 4.291) 5.976 2.747 ( -0.822 0.808 2.218) 2.500 2.747 ( 0.822 0.808 2.218) 2.500 2.894 ( -5.999 6.390 2.174) 9.030 2.894 ( 5.999 6.390 2.174) 9.030 2.955 ( -5.540 1.842 -2.626) 6.401 2.955 ( 5.540 1.842 -2.626) 6.401 3.174 ( -2.211 1.949 0.228) 2.956 3.174 ( 2.211 1.949 0.228) 2.956 3.245 ( -1.267 -3.202 -1.226) 3.655 3.245 ( 1.267 -3.202 -1.226) 3.655 3.340 ( -1.495 0.276 0.060) 1.521 3.340 ( 1.495 0.276 0.060) 1.521 3.371 ( -1.087 -2.532 -0.224) 2.764 3.371 ( 1.087 -2.532 -0.224) 2.764 3.650 ( -0.772 1.254 0.260) 1.495 3.650 ( 0.772 1.254 0.260) 1.495 3.672 ( -0.867 -0.682 0.597) 1.254 3.672 ( 0.867 -0.682 0.597) 1.254 4.167 ( -1.611 2.136 1.085) 2.887 4.167 ( 1.611 2.136 1.085) 2.887 4.182 ( -0.194 0.729 -0.294) 0.810 4.182 ( 0.194 0.729 -0.294) 0.810 4.438 ( -2.989 0.895 2.381) 3.925 4.438 ( 2.989 0.895 2.381) 3.925 4.492 ( -5.720 -4.723 -2.775) 7.920 4.492 ( 5.720 -4.723 -2.775) 7.920 7.325 ( -0.909 0.367 0.158) 0.993 7.325 ( 0.909 0.367 0.158) 0.993 7.354 ( -0.899 -2.614 -0.069) 2.765 7.354 ( 0.899 -2.614 -0.069) 2.765 7.670 ( -0.452 2.072 -0.100) 2.123 7.670 ( 0.452 2.072 -0.100) 2.123 7.682 ( -0.290 0.826 -0.360) 0.946 7.682 ( 0.290 0.826 -0.360) 0.946 10.728 ( -1.220 0.404 0.617) 1.426 10.728 ( 1.220 0.404 0.617) 1.426 10.741 ( -1.284 -1.026 0.304) 1.671 10.741 ( 1.284 -1.026 0.304) 1.671 10.896 ( -0.347 1.306 -0.331) 1.392 10.896 ( 0.347 1.306 -0.331) 1.392 10.925 ( -0.597 -1.736 -0.139) 1.841 10.925 ( 0.597 -1.736 -0.139) 1.841 11.179 ( -1.104 1.500 0.035) 1.863 11.179 ( 1.104 1.500 0.035) 1.863 11.190 ( -0.913 0.404 -0.235) 1.025 11.190 ( 0.913 0.404 -0.235) 1.025 16.100 ( -0.038 0.497 0.042) 0.500 16.100 ( 0.038 0.497 0.042) 0.500 16.113 ( -0.043 -0.870 0.036) 0.872 16.113 ( 0.043 -0.870 0.036) 0.872 23.509 ( -1.725 1.064 0.867) 2.204 23.509 ( 1.725 1.064 0.867) 2.204 23.547 ( -1.578 -2.845 -0.328) 3.270 23.547 ( 1.578 -2.845 -0.328) 3.270 24.147 ( -3.606 3.230 -0.547) 4.871 24.147 ( 3.606 3.230 -0.547) 4.871 24.194 ( -4.431 -1.602 -1.715) 5.014 24.194 ( 4.431 -1.602 -1.715) 5.014 25.071 ( -4.359 3.085 2.338) 5.829 25.071 ( 4.359 3.085 2.338) 5.829 25.139 ( -4.681 -3.901 -0.722) 6.136 25.139 ( 4.681 -3.901 -0.722) 6.136 =================== 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 3/22680 10.0 130.473 119.652 107.409 0.000 0.000 0.000 3/22680 20.0 14.634 12.456 11.064 0.000 0.000 0.000 3/22680 30.0 5.670 4.994 4.193 0.000 0.000 0.000 3/22680 40.0 3.328 3.039 2.455 0.000 0.000 0.000 3/22680 50.0 2.354 2.209 1.743 0.000 0.000 0.000 3/22680 60.0 1.835 1.756 1.365 0.000 0.000 0.000 3/22680 70.0 1.512 1.468 1.130 0.000 0.000 0.000 3/22680 80.0 1.291 1.267 0.969 0.000 0.000 0.000 3/22680 90.0 1.130 1.118 0.851 0.000 0.000 0.000 3/22680 100.0 1.007 1.003 0.760 0.000 0.000 0.000 3/22680 110.0 0.910 0.910 0.688 0.000 0.000 0.000 3/22680 120.0 0.831 0.835 0.629 0.000 0.000 0.000 3/22680 130.0 0.766 0.772 0.580 0.000 0.000 0.000 3/22680 140.0 0.712 0.720 0.539 0.000 0.000 0.000 3/22680 150.0 0.666 0.675 0.504 0.000 0.000 0.000 3/22680 160.0 0.627 0.636 0.473 0.000 0.000 0.000 3/22680 170.0 0.593 0.603 0.447 0.000 0.000 0.000 3/22680 180.0 0.564 0.573 0.424 0.000 0.000 0.000 3/22680 190.0 0.538 0.548 0.404 0.000 0.000 0.000 3/22680 200.0 0.515 0.525 0.386 0.000 0.000 0.000 3/22680 210.0 0.495 0.505 0.370 0.000 0.000 0.000 3/22680 220.0 0.477 0.486 0.356 0.000 0.000 0.000 3/22680 230.0 0.461 0.470 0.343 0.000 0.000 0.000 3/22680 240.0 0.446 0.455 0.331 0.000 0.000 0.000 3/22680 250.0 0.432 0.441 0.320 0.000 0.000 0.000 3/22680 260.0 0.420 0.428 0.310 0.000 0.000 0.000 3/22680 270.0 0.408 0.416 0.301 0.000 0.000 0.000 3/22680 280.0 0.397 0.405 0.293 0.000 0.000 0.000 3/22680 290.0 0.387 0.394 0.285 0.000 0.000 0.000 3/22680 300.0 0.378 0.385 0.277 0.000 0.000 0.000 3/22680 310.0 0.369 0.376 0.270 0.000 0.000 0.000 3/22680 320.0 0.361 0.367 0.263 0.000 0.000 0.000 3/22680 330.0 0.353 0.359 0.257 0.000 0.000 0.000 3/22680 340.0 0.345 0.351 0.251 0.000 0.000 0.000 3/22680 350.0 0.338 0.343 0.246 0.000 0.000 0.000 3/22680 360.0 0.331 0.336 0.240 0.000 0.000 0.000 3/22680 370.0 0.324 0.329 0.235 0.000 0.000 0.000 3/22680 380.0 0.318 0.323 0.230 0.000 0.000 0.000 3/22680 390.0 0.312 0.316 0.225 0.000 0.000 0.000 3/22680 400.0 0.306 0.310 0.221 0.000 0.000 0.000 3/22680 410.0 0.300 0.304 0.216 0.000 0.000 0.000 3/22680 420.0 0.295 0.299 0.212 0.000 0.000 0.000 3/22680 430.0 0.290 0.293 0.208 0.000 0.000 0.000 3/22680 440.0 0.284 0.288 0.204 0.000 0.000 0.000 3/22680 450.0 0.280 0.283 0.201 0.000 0.000 0.000 3/22680 460.0 0.275 0.278 0.197 0.000 0.000 0.000 3/22680 470.0 0.270 0.274 0.194 0.000 0.000 0.000 3/22680 480.0 0.266 0.269 0.190 0.000 0.000 0.000 3/22680 490.0 0.261 0.264 0.187 0.000 0.000 0.000 3/22680 500.0 0.257 0.260 0.184 0.000 0.000 0.000 3/22680 510.0 0.253 0.256 0.181 0.000 0.000 0.000 3/22680 520.0 0.249 0.252 0.178 0.000 0.000 0.000 3/22680 530.0 0.245 0.248 0.175 0.000 0.000 0.000 3/22680 540.0 0.242 0.244 0.172 0.000 0.000 0.000 3/22680 550.0 0.238 0.241 0.170 0.000 0.000 0.000 3/22680 560.0 0.235 0.237 0.167 0.000 0.000 0.000 3/22680 570.0 0.231 0.233 0.164 0.000 0.000 0.000 3/22680 580.0 0.228 0.230 0.162 0.000 0.000 0.000 3/22680 590.0 0.225 0.227 0.160 0.000 0.000 0.000 3/22680 600.0 0.221 0.223 0.157 0.000 0.000 0.000 3/22680 610.0 0.218 0.220 0.155 0.000 0.000 0.000 3/22680 620.0 0.215 0.217 0.153 0.000 0.000 0.000 3/22680 630.0 0.212 0.214 0.151 0.000 0.000 0.000 3/22680 640.0 0.210 0.211 0.149 0.000 0.000 0.000 3/22680 650.0 0.207 0.209 0.147 0.000 0.000 0.000 3/22680 660.0 0.204 0.206 0.145 0.000 0.000 0.000 3/22680 670.0 0.201 0.203 0.143 0.000 0.000 0.000 3/22680 680.0 0.199 0.200 0.141 0.000 0.000 0.000 3/22680 690.0 0.196 0.198 0.139 0.000 0.000 0.000 3/22680 700.0 0.194 0.195 0.137 0.000 0.000 0.000 3/22680 710.0 0.191 0.193 0.135 0.000 0.000 0.000 3/22680 720.0 0.189 0.191 0.134 0.000 0.000 0.000 3/22680 730.0 0.187 0.188 0.132 0.000 0.000 0.000 3/22680 740.0 0.185 0.186 0.130 0.000 0.000 0.000 3/22680 750.0 0.182 0.184 0.129 0.000 0.000 0.000 3/22680 760.0 0.180 0.182 0.127 0.000 0.000 0.000 3/22680 770.0 0.178 0.179 0.126 0.000 0.000 0.000 3/22680 780.0 0.176 0.177 0.124 0.000 0.000 0.000 3/22680 790.0 0.174 0.175 0.123 0.000 0.000 0.000 3/22680 800.0 0.172 0.173 0.121 0.000 0.000 0.000 3/22680 810.0 0.170 0.171 0.120 0.000 0.000 0.000 3/22680 820.0 0.168 0.169 0.119 0.000 0.000 0.000 3/22680 830.0 0.167 0.168 0.117 0.000 0.000 0.000 3/22680 840.0 0.165 0.166 0.116 0.000 0.000 0.000 3/22680 850.0 0.163 0.164 0.115 0.000 0.000 0.000 3/22680 860.0 0.161 0.162 0.114 0.000 0.000 0.000 3/22680 870.0 0.160 0.161 0.112 0.000 0.000 0.000 3/22680 880.0 0.158 0.159 0.111 0.000 0.000 0.000 3/22680 890.0 0.156 0.157 0.110 0.000 0.000 0.000 3/22680 900.0 0.155 0.156 0.109 0.000 0.000 0.000 3/22680 910.0 0.153 0.154 0.108 0.000 0.000 0.000 3/22680 920.0 0.152 0.152 0.107 0.000 0.000 0.000 3/22680 930.0 0.150 0.151 0.106 0.000 0.000 0.000 3/22680 940.0 0.149 0.149 0.105 0.000 0.000 0.000 3/22680 950.0 0.147 0.148 0.104 0.000 0.000 0.000 3/22680 960.0 0.146 0.147 0.103 0.000 0.000 0.000 3/22680 970.0 0.144 0.145 0.102 0.000 0.000 0.000 3/22680 980.0 0.143 0.144 0.101 0.000 0.000 0.000 3/22680 990.0 0.142 0.142 0.100 0.000 0.000 0.000 3/22680 1000.0 0.140 0.141 0.099 0.000 0.000 0.000 3/22680 Thermal conductivity related properties were written into "kappa-m695.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:24:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|