----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 16:50:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.848295172341690 -3.875167465000000 0.000000000000000 b 7.848295172341690 3.875167465000000 0.000000000000000 c -1.464910153519469 0.000000000000000 10.626101968340208 Atomic positions (fractional): *1 Nd 0.40156549964556 0.59843450035444 0.75000000000000 144.242 *2 Nd 0.07664264445371 0.32128047710951 0.68160702052277 144.242 3 Nd 0.32128047710951 0.07664264445371 0.18160702052277 144.242 4 Nd 0.67871952289049 0.92335735554629 0.81839297947723 144.242 5 Nd 0.92335735554629 0.67871952289049 0.31839297947723 144.242 6 Nd 0.59843450035444 0.40156549964556 0.25000000000000 144.242 *7 Si 0.37688747675957 0.30310602951882 0.47065830805901 28.085 8 Si 0.69689397048117 0.62311252324044 0.02934169194099 28.085 9 Si 0.30310602951882 0.37688747675956 0.97065830805901 28.085 10 Si 0.62311252324043 0.69689397048118 0.52934169194099 28.085 *11 S 0.25016657217560 0.45181983071494 0.16393936036188 32.065 *12 S 0.14503826676010 0.28673226118372 0.41442298692596 32.065 13 S 0.45181983071494 0.25016657217560 0.66393936036188 32.065 *14 S 0.60282712951435 0.10620313819317 0.35115171225044 32.065 15 S 0.54818016928506 0.74983342782440 0.33606063963812 32.065 *16 S 0.27801161945770 0.58936582642530 0.45636728935292 32.065 17 S 0.39717287048565 0.89379686180683 0.64884828774956 32.065 18 S 0.28673226118372 0.14503826676010 0.91442298692596 32.065 19 S 0.74983342782440 0.54818016928506 0.83606063963812 32.065 20 S 0.71326773881628 0.85496173323990 0.08557701307404 32.065 21 S 0.72198838054230 0.41063417357470 0.54363271064708 32.065 22 S 0.58936582642530 0.27801161945770 0.95636728935292 32.065 23 S 0.89379686180683 0.39717287048565 0.14884828774956 32.065 24 S 0.10620313819317 0.60282712951435 0.85115171225044 32.065 25 S 0.85496173323990 0.71326773881628 0.58557701307404 32.065 26 S 0.41063417357470 0.72198838054230 0.04363271064708 32.065 *27 I 0.98596612539932 0.01403387460069 0.75000000000000 126.904 28 I 0.01403387460068 0.98596612539932 0.25000000000000 126.904 -------------------------------- unit cell --------------------------------- Lattice vectors: a 15.696590344683379 0.000000000000000 0.000000000000000 b 0.000000000000000 7.750334929999999 0.000000000000000 c -1.464910153519469 0.000000000000000 10.626101968340208 Atomic positions (fractional): *1 Nd 0.00000000000000 0.59843450035444 0.75000000000000 144.242 > 1 *2 Nd 0.19896156078161 0.12231891632790 0.68160702052277 144.242 > 2 3 Nd 0.19896156078161 0.87768108367210 0.18160702052277 144.242 > 3 4 Nd 0.30103843921839 0.62231891632790 0.81839297947723 144.242 > 4 5 Nd 0.30103843921839 0.37768108367210 0.31839297947723 144.242 > 5 6 Nd 0.00000000000000 0.40156549964556 0.25000000000000 144.242 > 6 7 Nd 0.50000000000000 0.09843450035444 0.75000000000000 144.242 > 1 8 Nd 0.69896156078161 0.62231891632790 0.68160702052277 144.242 > 2 9 Nd 0.69896156078161 0.37768108367210 0.18160702052277 144.242 > 3 10 Nd 0.80103843921839 0.12231891632790 0.81839297947723 144.242 > 4 11 Nd 0.80103843921839 0.87768108367210 0.31839297947723 144.242 > 5 12 Nd 0.50000000000000 0.90156549964556 0.25000000000000 144.242 > 6 *13 Si 0.33999675313919 0.96310927637963 0.47065830805901 28.085 > 7 14 Si 0.16000324686080 0.46310927637963 0.02934169194099 28.085 > 8 15 Si 0.33999675313919 0.03689072362037 0.97065830805901 28.085 > 9 16 Si 0.16000324686080 0.53689072362037 0.52934169194099 28.085 > 10 17 Si 0.83999675313920 0.46310927637963 0.47065830805901 28.085 > 7 18 Si 0.66000324686080 0.96310927637963 0.02934169194099 28.085 > 8 19 Si 0.83999675313920 0.53689072362037 0.97065830805901 28.085 > 9 20 Si 0.66000324686080 0.03689072362037 0.52934169194099 28.085 > 10 *21 S 0.35099320144527 0.10082662926967 0.16393936036188 32.065 > 11 *22 S 0.21588526397191 0.07084699721181 0.41442298692596 32.065 > 12 23 S 0.35099320144527 0.89917337073033 0.66393936036188 32.065 > 13 *24 S 0.35451513385376 0.75168800433941 0.35115171225044 32.065 > 14 25 S 0.14900679855473 0.60082662926967 0.33606063963812 32.065 > 15 *26 S 0.43368872294150 0.15567710348380 0.45636728935292 32.065 > 16 27 S 0.14548486614624 0.74831199566059 0.64884828774956 32.065 > 17 28 S 0.21588526397191 0.92915300278819 0.91442298692596 32.065 > 18 29 S 0.14900679855473 0.39917337073033 0.83606063963812 32.065 > 19 30 S 0.28411473602809 0.57084699721181 0.08557701307404 32.065 > 20 31 S 0.06631127705850 0.34432289651620 0.54363271064708 32.065 > 21 32 S 0.43368872294150 0.84432289651620 0.95636728935292 32.065 > 22 33 S 0.14548486614624 0.25168800433941 0.14884828774956 32.065 > 23 34 S 0.35451513385376 0.24831199566059 0.85115171225044 32.065 > 24 35 S 0.28411473602809 0.42915300278819 0.58557701307404 32.065 > 25 36 S 0.06631127705850 0.65567710348380 0.04363271064708 32.065 > 26 37 S 0.85099320144527 0.60082662926967 0.16393936036188 32.065 > 11 38 S 0.71588526397191 0.57084699721181 0.41442298692596 32.065 > 12 39 S 0.85099320144527 0.39917337073033 0.66393936036188 32.065 > 13 40 S 0.85451513385376 0.25168800433941 0.35115171225044 32.065 > 14 41 S 0.64900679855473 0.10082662926967 0.33606063963812 32.065 > 15 42 S 0.93368872294150 0.65567710348380 0.45636728935292 32.065 > 16 43 S 0.64548486614624 0.24831199566059 0.64884828774956 32.065 > 17 44 S 0.71588526397191 0.42915300278819 0.91442298692596 32.065 > 18 45 S 0.64900679855473 0.89917337073033 0.83606063963812 32.065 > 19 46 S 0.78411473602809 0.07084699721181 0.08557701307404 32.065 > 20 47 S 0.56631127705850 0.84432289651620 0.54363271064708 32.065 > 21 48 S 0.93368872294150 0.34432289651620 0.95636728935292 32.065 > 22 49 S 0.64548486614624 0.75168800433941 0.14884828774956 32.065 > 23 50 S 0.85451513385376 0.74831199566059 0.85115171225044 32.065 > 24 51 S 0.78411473602809 0.92915300278819 0.58557701307404 32.065 > 25 52 S 0.56631127705850 0.15567710348380 0.04363271064708 32.065 > 26 *53 I 0.00000000000000 0.01403387460069 0.75000000000000 126.904 > 27 54 I 0.00000000000000 0.98596612539932 0.25000000000000 126.904 > 28 55 I 0.50000000000000 0.51403387460068 0.75000000000000 126.904 > 27 56 I 0.50000000000000 0.48596612539931 0.25000000000000 126.904 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.696590344683379 0.000000000000000 0.000000000000000 b 0.000000000000000 15.500669859999999 0.000000000000000 c -1.464910153519469 0.000000000000000 10.626101968340208 Atomic positions (fractional): *1 Nd 0.00000000000000 0.29921725017722 0.75000000000000 144.242 > 1 2 Nd 0.00000000000000 0.79921725017722 0.75000000000000 144.242 > 1 *3 Nd 0.19896156078161 0.06115945816395 0.68160702052277 144.242 > 2 4 Nd 0.19896156078161 0.56115945816395 0.68160702052277 144.242 > 2 5 Nd 0.19896156078161 0.43884054183605 0.18160702052277 144.242 > 3 6 Nd 0.19896156078161 0.93884054183605 0.18160702052277 144.242 > 3 7 Nd 0.30103843921839 0.31115945816395 0.81839297947723 144.242 > 4 8 Nd 0.30103843921839 0.81115945816395 0.81839297947723 144.242 > 4 9 Nd 0.30103843921839 0.18884054183605 0.31839297947723 144.242 > 5 10 Nd 0.30103843921839 0.68884054183605 0.31839297947723 144.242 > 5 11 Nd 0.00000000000000 0.20078274982278 0.25000000000000 144.242 > 6 12 Nd 0.00000000000000 0.70078274982278 0.25000000000000 144.242 > 6 13 Nd 0.50000000000000 0.04921725017722 0.75000000000000 144.242 > 1 14 Nd 0.50000000000000 0.54921725017722 0.75000000000000 144.242 > 1 15 Nd 0.69896156078161 0.31115945816395 0.68160702052277 144.242 > 2 16 Nd 0.69896156078161 0.81115945816395 0.68160702052277 144.242 > 2 17 Nd 0.69896156078161 0.18884054183605 0.18160702052277 144.242 > 3 18 Nd 0.69896156078161 0.68884054183605 0.18160702052277 144.242 > 3 19 Nd 0.80103843921839 0.06115945816395 0.81839297947723 144.242 > 4 20 Nd 0.80103843921839 0.56115945816395 0.81839297947723 144.242 > 4 21 Nd 0.80103843921839 0.43884054183605 0.31839297947723 144.242 > 5 22 Nd 0.80103843921839 0.93884054183605 0.31839297947723 144.242 > 5 23 Nd 0.50000000000000 0.45078274982278 0.25000000000000 144.242 > 6 24 Nd 0.50000000000000 0.95078274982278 0.25000000000000 144.242 > 6 *25 Si 0.33999675313919 0.48155463818981 0.47065830805901 28.085 > 7 26 Si 0.33999675313919 0.98155463818982 0.47065830805901 28.085 > 7 27 Si 0.16000324686080 0.23155463818982 0.02934169194099 28.085 > 8 28 Si 0.16000324686080 0.73155463818982 0.02934169194099 28.085 > 8 29 Si 0.33999675313919 0.01844536181018 0.97065830805901 28.085 > 9 30 Si 0.33999675313919 0.51844536181018 0.97065830805901 28.085 > 9 31 Si 0.16000324686080 0.26844536181019 0.52934169194099 28.085 > 10 32 Si 0.16000324686080 0.76844536181018 0.52934169194099 28.085 > 10 33 Si 0.83999675313920 0.23155463818982 0.47065830805901 28.085 > 7 34 Si 0.83999675313920 0.73155463818982 0.47065830805901 28.085 > 7 35 Si 0.66000324686080 0.48155463818982 0.02934169194099 28.085 > 8 36 Si 0.66000324686080 0.98155463818982 0.02934169194099 28.085 > 8 37 Si 0.83999675313920 0.26844536181019 0.97065830805901 28.085 > 9 38 Si 0.83999675313920 0.76844536181018 0.97065830805901 28.085 > 9 39 Si 0.66000324686080 0.01844536181018 0.52934169194099 28.085 > 10 40 Si 0.66000324686080 0.51844536181018 0.52934169194099 28.085 > 10 *41 S 0.35099320144527 0.05041331463484 0.16393936036188 32.065 > 11 42 S 0.35099320144527 0.55041331463484 0.16393936036188 32.065 > 11 *43 S 0.21588526397191 0.03542349860590 0.41442298692596 32.065 > 12 44 S 0.21588526397191 0.53542349860590 0.41442298692596 32.065 > 12 45 S 0.35099320144527 0.44958668536516 0.66393936036188 32.065 > 13 46 S 0.35099320144527 0.94958668536516 0.66393936036188 32.065 > 13 *47 S 0.35451513385376 0.37584400216971 0.35115171225044 32.065 > 14 48 S 0.35451513385376 0.87584400216971 0.35115171225044 32.065 > 14 49 S 0.14900679855473 0.30041331463484 0.33606063963812 32.065 > 15 50 S 0.14900679855473 0.80041331463484 0.33606063963812 32.065 > 15 *51 S 0.43368872294150 0.07783855174190 0.45636728935292 32.065 > 16 52 S 0.43368872294150 0.57783855174190 0.45636728935292 32.065 > 16 53 S 0.14548486614624 0.37415599783029 0.64884828774956 32.065 > 17 54 S 0.14548486614624 0.87415599783029 0.64884828774956 32.065 > 17 55 S 0.21588526397191 0.46457650139410 0.91442298692596 32.065 > 18 56 S 0.21588526397191 0.96457650139410 0.91442298692596 32.065 > 18 57 S 0.14900679855473 0.19958668536516 0.83606063963812 32.065 > 19 58 S 0.14900679855473 0.69958668536516 0.83606063963812 32.065 > 19 59 S 0.28411473602809 0.28542349860590 0.08557701307404 32.065 > 20 60 S 0.28411473602809 0.78542349860590 0.08557701307404 32.065 > 20 61 S 0.06631127705850 0.17216144825810 0.54363271064708 32.065 > 21 62 S 0.06631127705850 0.67216144825810 0.54363271064708 32.065 > 21 63 S 0.43368872294150 0.42216144825810 0.95636728935292 32.065 > 22 64 S 0.43368872294150 0.92216144825810 0.95636728935292 32.065 > 22 65 S 0.14548486614624 0.12584400216971 0.14884828774956 32.065 > 23 66 S 0.14548486614624 0.62584400216971 0.14884828774956 32.065 > 23 67 S 0.35451513385376 0.12415599783029 0.85115171225044 32.065 > 24 68 S 0.35451513385376 0.62415599783029 0.85115171225044 32.065 > 24 69 S 0.28411473602809 0.21457650139410 0.58557701307404 32.065 > 25 70 S 0.28411473602809 0.71457650139410 0.58557701307404 32.065 > 25 71 S 0.06631127705850 0.32783855174190 0.04363271064708 32.065 > 26 72 S 0.06631127705850 0.82783855174190 0.04363271064708 32.065 > 26 73 S 0.85099320144527 0.30041331463484 0.16393936036188 32.065 > 11 74 S 0.85099320144527 0.80041331463484 0.16393936036188 32.065 > 11 75 S 0.71588526397191 0.28542349860590 0.41442298692596 32.065 > 12 76 S 0.71588526397191 0.78542349860590 0.41442298692596 32.065 > 12 77 S 0.85099320144527 0.19958668536516 0.66393936036188 32.065 > 13 78 S 0.85099320144527 0.69958668536516 0.66393936036188 32.065 > 13 79 S 0.85451513385376 0.12584400216971 0.35115171225044 32.065 > 14 80 S 0.85451513385376 0.62584400216971 0.35115171225044 32.065 > 14 81 S 0.64900679855473 0.05041331463484 0.33606063963812 32.065 > 15 82 S 0.64900679855473 0.55041331463484 0.33606063963812 32.065 > 15 83 S 0.93368872294150 0.32783855174190 0.45636728935292 32.065 > 16 84 S 0.93368872294150 0.82783855174190 0.45636728935292 32.065 > 16 85 S 0.64548486614624 0.12415599783029 0.64884828774956 32.065 > 17 86 S 0.64548486614624 0.62415599783029 0.64884828774956 32.065 > 17 87 S 0.71588526397191 0.21457650139410 0.91442298692596 32.065 > 18 88 S 0.71588526397191 0.71457650139410 0.91442298692596 32.065 > 18 89 S 0.64900679855473 0.44958668536516 0.83606063963812 32.065 > 19 90 S 0.64900679855473 0.94958668536516 0.83606063963812 32.065 > 19 91 S 0.78411473602809 0.03542349860590 0.08557701307404 32.065 > 20 92 S 0.78411473602809 0.53542349860590 0.08557701307404 32.065 > 20 93 S 0.56631127705850 0.42216144825810 0.54363271064708 32.065 > 21 94 S 0.56631127705850 0.92216144825810 0.54363271064708 32.065 > 21 95 S 0.93368872294150 0.17216144825810 0.95636728935292 32.065 > 22 96 S 0.93368872294150 0.67216144825810 0.95636728935292 32.065 > 22 97 S 0.64548486614624 0.37584400216971 0.14884828774956 32.065 > 23 98 S 0.64548486614624 0.87584400216971 0.14884828774956 32.065 > 23 99 S 0.85451513385376 0.37415599783029 0.85115171225044 32.065 > 24 100 S 0.85451513385376 0.87415599783029 0.85115171225044 32.065 > 24 101 S 0.78411473602809 0.46457650139410 0.58557701307404 32.065 > 25 102 S 0.78411473602809 0.96457650139410 0.58557701307404 32.065 > 25 103 S 0.56631127705850 0.07783855174190 0.04363271064708 32.065 > 26 104 S 0.56631127705850 0.57783855174190 0.04363271064708 32.065 > 26 *105 I 0.00000000000000 0.00701693730034 0.75000000000000 126.904 > 27 106 I 0.00000000000000 0.50701693730034 0.75000000000000 126.904 > 27 107 I 0.00000000000000 0.49298306269966 0.25000000000000 126.904 > 28 108 I 0.00000000000000 0.99298306269966 0.25000000000000 126.904 > 28 109 I 0.50000000000000 0.25701693730034 0.75000000000000 126.904 > 27 110 I 0.50000000000000 0.75701693730034 0.75000000000000 126.904 > 27 111 I 0.50000000000000 0.24298306269966 0.25000000000000 126.904 > 28 112 I 0.50000000000000 0.74298306269966 0.25000000000000 126.904 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.8750979 0.0000000 -0.0476183 0.0000000 6.7234357 0.0000000 -0.0476182 0.0000000 6.8897611 -------------------------- Born effective charges -------------------------- 1 Nd 4.7148077 -0.0000000 -0.1152396 0.0000000 3.1128795 -0.0000000 -0.0002386 0.0000000 3.8163298 2 Nd 3.5880842 -0.3201384 -0.0662404 -0.1925867 4.3236940 -0.2531831 -0.2318002 0.0185363 3.8636838 3 Nd 3.5880842 0.3201384 -0.0662404 0.1925867 4.3236940 0.2531831 -0.2318002 -0.0185363 3.8636838 4 Nd 3.5880842 0.3201384 -0.0662404 0.1925867 4.3236940 0.2531831 -0.2318002 -0.0185363 3.8636838 5 Nd 3.5880842 -0.3201384 -0.0662404 -0.1925867 4.3236940 -0.2531831 -0.2318002 0.0185363 3.8636838 6 Nd 4.7148077 -0.0000000 -0.1152396 0.0000000 3.1128795 -0.0000000 -0.0002386 0.0000000 3.8163298 7 Si 2.3125249 0.0200999 -0.1811488 -0.3673186 2.4576451 0.2694957 -0.0585250 0.1467784 3.4490437 8 Si 2.3125249 -0.0200999 -0.1811488 0.3673186 2.4576451 -0.2694957 -0.0585250 -0.1467784 3.4490437 9 Si 2.3125249 -0.0200999 -0.1811488 0.3673186 2.4576451 -0.2694957 -0.0585250 -0.1467784 3.4490437 10 Si 2.3125249 0.0200999 -0.1811488 -0.3673186 2.4576451 0.2694957 -0.0585250 0.1467784 3.4490437 11 S -1.8720170 0.2587995 0.1649622 0.2239911 -1.6515312 -0.4456364 0.1952480 -0.5778354 -2.5418790 12 S -1.5947092 0.3138298 0.0633589 0.3710991 -1.7176078 -0.1227102 0.0730674 -0.1887314 -2.5636911 13 S -1.8720170 -0.2587995 0.1649622 -0.2239911 -1.6515312 0.4456364 0.1952480 0.5778354 -2.5418790 14 S -1.7680265 -0.1605596 0.0757054 -0.1840465 -2.3700568 -0.5783503 0.1665799 -0.4715350 -1.7063148 15 S -1.8720170 -0.2587995 0.1649622 -0.2239911 -1.6515312 0.4456364 0.1952480 0.5778354 -2.5418790 16 S -1.9575203 0.0887833 -0.1899347 0.1371942 -1.7756758 0.0387724 -0.2607860 0.1103205 -2.1680491 17 S -1.7680265 -0.1605596 0.0757054 -0.1840465 -2.3700568 -0.5783503 0.1665799 -0.4715350 -1.7063148 18 S -1.5947092 -0.3138298 0.0633589 -0.3710991 -1.7176078 0.1227102 0.0730674 0.1887314 -2.5636911 19 S -1.8720170 0.2587995 0.1649622 0.2239911 -1.6515312 -0.4456364 0.1952480 -0.5778354 -2.5418790 20 S -1.5947092 -0.3138298 0.0633589 -0.3710991 -1.7176078 0.1227102 0.0730674 0.1887314 -2.5636911 21 S -1.9575203 0.0887833 -0.1899347 0.1371942 -1.7756758 0.0387724 -0.2607860 0.1103205 -2.1680491 22 S -1.9575203 -0.0887833 -0.1899347 -0.1371942 -1.7756758 -0.0387724 -0.2607860 -0.1103205 -2.1680491 23 S -1.7680265 0.1605596 0.0757054 0.1840465 -2.3700568 0.5783503 0.1665799 0.4715350 -1.7063148 24 S -1.7680265 0.1605596 0.0757054 0.1840465 -2.3700568 0.5783503 0.1665799 0.4715350 -1.7063148 25 S -1.5947092 0.3138298 0.0633589 0.3710991 -1.7176078 -0.1227102 0.0730674 -0.1887314 -2.5636911 26 S -1.9575203 -0.0887833 -0.1899347 -0.1371942 -1.7756758 -0.0387724 -0.2607860 -0.1103205 -2.1680491 27 I -2.1314799 -0.0000000 0.3818345 0.0000000 -1.6458144 -0.0000000 0.2326704 0.0000000 -0.4819168 28 I -2.1314799 -0.0000000 0.3818345 0.0000000 -1.6458144 -0.0000000 0.2326704 0.0000000 -0.4819168 ---------------------------------------------------------------------------- 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: 17004/17004 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3662 Number of blocks in projector: 3662 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 800 / 800 (1) 291 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 768 / 768 (1) 257 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 768 / 768 (1) 257 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 442 Use standard eigh solver. Tree of FC basis block matrices: - (3662, 3599), data: False |-- (442, 434), data: True |-- (442, 434), data: True |-- (442, 434), data: True |-- (768, 756), data: False |-- (768, 11), data: (768, 23) @ (23, 11) |-- (268, 257), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (768, 756), data: False |-- (768, 11), data: (768, 23) @ (23, 11) |-- (268, 257), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (800, 785), data: False |-- (800, 9), data: (800, 24) @ (24, 9) |-- (300, 291), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 880 - Time: 1.169 Solver_block: 200 / 880 - Time: 0.915 Solver_block: 300 / 880 - Time: 0.943 Solver_block: 400 / 880 - Time: 0.929 Solver_block: 500 / 880 - Time: 0.902 Solver_block: 600 / 880 - Time: 0.934 Solver_block: 700 / 880 - Time: 0.914 Solver_block: 800 / 880 - Time: 0.902 Solver_block: 880 / 880 - Time: 0.776 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 8.842 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yz) 0.00000000 (yz) Permutation basis: 336/336 Permutation basis: 17004/17004 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3662 Number of blocks in projector: 3662 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 800 / 800 (1) 291 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 768 / 768 (1) 257 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 768 / 768 (1) 257 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 442 Use standard eigh solver. Tree of FC basis block matrices: - (3662, 3599), data: False |-- (442, 434), data: True |-- (442, 434), data: True |-- (442, 434), data: True |-- (768, 756), data: False |-- (768, 11), data: (768, 23) @ (23, 11) |-- (268, 257), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (768, 756), data: False |-- (768, 11), data: (768, 23) @ (23, 11) |-- (268, 257), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (800, 785), data: False |-- (800, 9), data: (800, 24) @ (24, 9) |-- (300, 291), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yz) 0.00000000 (yz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 16:50:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 16:50:54]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.848295172341690 -3.875167465000000 0.000000000000000 b 7.848295172341690 3.875167465000000 0.000000000000000 c -1.464910153519469 0.000000000000000 10.626101968340208 Atomic positions (fractional): 1 Nd 0.40156549964556 0.59843450035444 0.75000000000000 144.242 2 Nd 0.07664264445371 0.32128047710951 0.68160702052277 144.242 3 Nd 0.32128047710951 0.07664264445371 0.18160702052277 144.242 4 Nd 0.67871952289049 0.92335735554629 0.81839297947723 144.242 5 Nd 0.92335735554629 0.67871952289049 0.31839297947723 144.242 6 Nd 0.59843450035444 0.40156549964556 0.25000000000000 144.242 7 Si 0.37688747675957 0.30310602951882 0.47065830805901 28.085 8 Si 0.69689397048117 0.62311252324044 0.02934169194099 28.085 9 Si 0.30310602951882 0.37688747675956 0.97065830805901 28.085 10 Si 0.62311252324043 0.69689397048118 0.52934169194099 28.085 11 S 0.25016657217560 0.45181983071494 0.16393936036188 32.065 12 S 0.14503826676010 0.28673226118372 0.41442298692596 32.065 13 S 0.45181983071494 0.25016657217560 0.66393936036188 32.065 14 S 0.60282712951435 0.10620313819317 0.35115171225044 32.065 15 S 0.54818016928506 0.74983342782440 0.33606063963812 32.065 16 S 0.27801161945770 0.58936582642530 0.45636728935292 32.065 17 S 0.39717287048565 0.89379686180683 0.64884828774956 32.065 18 S 0.28673226118372 0.14503826676010 0.91442298692596 32.065 19 S 0.74983342782440 0.54818016928506 0.83606063963812 32.065 20 S 0.71326773881628 0.85496173323990 0.08557701307404 32.065 21 S 0.72198838054230 0.41063417357470 0.54363271064708 32.065 22 S 0.58936582642530 0.27801161945770 0.95636728935292 32.065 23 S 0.89379686180683 0.39717287048565 0.14884828774956 32.065 24 S 0.10620313819317 0.60282712951435 0.85115171225044 32.065 25 S 0.85496173323990 0.71326773881628 0.58557701307404 32.065 26 S 0.41063417357470 0.72198838054230 0.04363271064708 32.065 27 I 0.98596612539932 0.01403387460069 0.75000000000000 126.904 28 I 0.01403387460068 0.98596612539932 0.25000000000000 126.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.696590344683379 0.000000000000000 0.000000000000000 b 0.000000000000000 15.500669859999999 0.000000000000000 c -1.464910153519469 0.000000000000000 10.626101968340208 Atomic positions (fractional): 1 Nd 0.00000000000000 0.29921725017722 0.75000000000000 144.242 > 1 2 Nd 0.00000000000000 0.79921725017722 0.75000000000000 144.242 > 1 3 Nd 0.19896156078161 0.06115945816395 0.68160702052277 144.242 > 3 4 Nd 0.19896156078161 0.56115945816395 0.68160702052277 144.242 > 3 5 Nd 0.19896156078161 0.43884054183605 0.18160702052277 144.242 > 5 6 Nd 0.19896156078161 0.93884054183605 0.18160702052277 144.242 > 5 7 Nd 0.30103843921839 0.31115945816395 0.81839297947723 144.242 > 7 8 Nd 0.30103843921839 0.81115945816395 0.81839297947723 144.242 > 7 9 Nd 0.30103843921839 0.18884054183605 0.31839297947723 144.242 > 9 10 Nd 0.30103843921839 0.68884054183605 0.31839297947723 144.242 > 9 11 Nd 0.00000000000000 0.20078274982278 0.25000000000000 144.242 > 11 12 Nd 0.00000000000000 0.70078274982278 0.25000000000000 144.242 > 11 13 Nd 0.50000000000000 0.04921725017722 0.75000000000000 144.242 > 1 14 Nd 0.50000000000000 0.54921725017722 0.75000000000000 144.242 > 1 15 Nd 0.69896156078161 0.31115945816395 0.68160702052277 144.242 > 3 16 Nd 0.69896156078161 0.81115945816395 0.68160702052277 144.242 > 3 17 Nd 0.69896156078161 0.18884054183605 0.18160702052277 144.242 > 5 18 Nd 0.69896156078161 0.68884054183605 0.18160702052277 144.242 > 5 19 Nd 0.80103843921839 0.06115945816395 0.81839297947723 144.242 > 7 20 Nd 0.80103843921839 0.56115945816395 0.81839297947723 144.242 > 7 21 Nd 0.80103843921839 0.43884054183605 0.31839297947723 144.242 > 9 22 Nd 0.80103843921839 0.93884054183605 0.31839297947723 144.242 > 9 23 Nd 0.50000000000000 0.45078274982278 0.25000000000000 144.242 > 11 24 Nd 0.50000000000000 0.95078274982278 0.25000000000000 144.242 > 11 25 Si 0.33999675313919 0.48155463818981 0.47065830805901 28.085 > 25 26 Si 0.33999675313919 0.98155463818982 0.47065830805901 28.085 > 25 27 Si 0.16000324686080 0.23155463818982 0.02934169194099 28.085 > 27 28 Si 0.16000324686080 0.73155463818982 0.02934169194099 28.085 > 27 29 Si 0.33999675313919 0.01844536181018 0.97065830805901 28.085 > 29 30 Si 0.33999675313919 0.51844536181018 0.97065830805901 28.085 > 29 31 Si 0.16000324686080 0.26844536181019 0.52934169194099 28.085 > 31 32 Si 0.16000324686080 0.76844536181018 0.52934169194099 28.085 > 31 33 Si 0.83999675313920 0.23155463818982 0.47065830805901 28.085 > 25 34 Si 0.83999675313920 0.73155463818982 0.47065830805901 28.085 > 25 35 Si 0.66000324686080 0.48155463818982 0.02934169194099 28.085 > 27 36 Si 0.66000324686080 0.98155463818982 0.02934169194099 28.085 > 27 37 Si 0.83999675313920 0.26844536181019 0.97065830805901 28.085 > 29 38 Si 0.83999675313920 0.76844536181018 0.97065830805901 28.085 > 29 39 Si 0.66000324686080 0.01844536181018 0.52934169194099 28.085 > 31 40 Si 0.66000324686080 0.51844536181018 0.52934169194099 28.085 > 31 41 S 0.35099320144527 0.05041331463484 0.16393936036188 32.065 > 41 42 S 0.35099320144527 0.55041331463484 0.16393936036188 32.065 > 41 43 S 0.21588526397191 0.03542349860590 0.41442298692596 32.065 > 43 44 S 0.21588526397191 0.53542349860590 0.41442298692596 32.065 > 43 45 S 0.35099320144527 0.44958668536516 0.66393936036188 32.065 > 45 46 S 0.35099320144527 0.94958668536516 0.66393936036188 32.065 > 45 47 S 0.35451513385376 0.37584400216971 0.35115171225044 32.065 > 47 48 S 0.35451513385376 0.87584400216971 0.35115171225044 32.065 > 47 49 S 0.14900679855473 0.30041331463484 0.33606063963812 32.065 > 49 50 S 0.14900679855473 0.80041331463484 0.33606063963812 32.065 > 49 51 S 0.43368872294150 0.07783855174190 0.45636728935292 32.065 > 51 52 S 0.43368872294150 0.57783855174190 0.45636728935292 32.065 > 51 53 S 0.14548486614624 0.37415599783029 0.64884828774956 32.065 > 53 54 S 0.14548486614624 0.87415599783029 0.64884828774956 32.065 > 53 55 S 0.21588526397191 0.46457650139410 0.91442298692596 32.065 > 55 56 S 0.21588526397191 0.96457650139410 0.91442298692596 32.065 > 55 57 S 0.14900679855473 0.19958668536516 0.83606063963812 32.065 > 57 58 S 0.14900679855473 0.69958668536516 0.83606063963812 32.065 > 57 59 S 0.28411473602809 0.28542349860590 0.08557701307404 32.065 > 59 60 S 0.28411473602809 0.78542349860590 0.08557701307404 32.065 > 59 61 S 0.06631127705850 0.17216144825810 0.54363271064708 32.065 > 61 62 S 0.06631127705850 0.67216144825810 0.54363271064708 32.065 > 61 63 S 0.43368872294150 0.42216144825810 0.95636728935292 32.065 > 63 64 S 0.43368872294150 0.92216144825810 0.95636728935292 32.065 > 63 65 S 0.14548486614624 0.12584400216971 0.14884828774956 32.065 > 65 66 S 0.14548486614624 0.62584400216971 0.14884828774956 32.065 > 65 67 S 0.35451513385376 0.12415599783029 0.85115171225044 32.065 > 67 68 S 0.35451513385376 0.62415599783029 0.85115171225044 32.065 > 67 69 S 0.28411473602809 0.21457650139410 0.58557701307404 32.065 > 69 70 S 0.28411473602809 0.71457650139410 0.58557701307404 32.065 > 69 71 S 0.06631127705850 0.32783855174190 0.04363271064708 32.065 > 71 72 S 0.06631127705850 0.82783855174190 0.04363271064708 32.065 > 71 73 S 0.85099320144527 0.30041331463484 0.16393936036188 32.065 > 41 74 S 0.85099320144527 0.80041331463484 0.16393936036188 32.065 > 41 75 S 0.71588526397191 0.28542349860590 0.41442298692596 32.065 > 43 76 S 0.71588526397191 0.78542349860590 0.41442298692596 32.065 > 43 77 S 0.85099320144527 0.19958668536516 0.66393936036188 32.065 > 45 78 S 0.85099320144527 0.69958668536516 0.66393936036188 32.065 > 45 79 S 0.85451513385376 0.12584400216971 0.35115171225044 32.065 > 47 80 S 0.85451513385376 0.62584400216971 0.35115171225044 32.065 > 47 81 S 0.64900679855473 0.05041331463484 0.33606063963812 32.065 > 49 82 S 0.64900679855473 0.55041331463484 0.33606063963812 32.065 > 49 83 S 0.93368872294150 0.32783855174190 0.45636728935292 32.065 > 51 84 S 0.93368872294150 0.82783855174190 0.45636728935292 32.065 > 51 85 S 0.64548486614624 0.12415599783029 0.64884828774956 32.065 > 53 86 S 0.64548486614624 0.62415599783029 0.64884828774956 32.065 > 53 87 S 0.71588526397191 0.21457650139410 0.91442298692596 32.065 > 55 88 S 0.71588526397191 0.71457650139410 0.91442298692596 32.065 > 55 89 S 0.64900679855473 0.44958668536516 0.83606063963812 32.065 > 57 90 S 0.64900679855473 0.94958668536516 0.83606063963812 32.065 > 57 91 S 0.78411473602809 0.03542349860590 0.08557701307404 32.065 > 59 92 S 0.78411473602809 0.53542349860590 0.08557701307404 32.065 > 59 93 S 0.56631127705850 0.42216144825810 0.54363271064708 32.065 > 61 94 S 0.56631127705850 0.92216144825810 0.54363271064708 32.065 > 61 95 S 0.93368872294150 0.17216144825810 0.95636728935292 32.065 > 63 96 S 0.93368872294150 0.67216144825810 0.95636728935292 32.065 > 63 97 S 0.64548486614624 0.37584400216971 0.14884828774956 32.065 > 65 98 S 0.64548486614624 0.87584400216971 0.14884828774956 32.065 > 65 99 S 0.85451513385376 0.37415599783029 0.85115171225044 32.065 > 67 100 S 0.85451513385376 0.87415599783029 0.85115171225044 32.065 > 67 101 S 0.78411473602809 0.46457650139410 0.58557701307404 32.065 > 69 102 S 0.78411473602809 0.96457650139410 0.58557701307404 32.065 > 69 103 S 0.56631127705850 0.07783855174190 0.04363271064708 32.065 > 71 104 S 0.56631127705850 0.57783855174190 0.04363271064708 32.065 > 71 105 I 0.00000000000000 0.00701693730034 0.75000000000000 126.904 > 105 106 I 0.00000000000000 0.50701693730034 0.75000000000000 126.904 > 105 107 I 0.00000000000000 0.49298306269966 0.25000000000000 126.904 > 107 108 I 0.00000000000000 0.99298306269966 0.25000000000000 126.904 > 107 109 I 0.50000000000000 0.25701693730034 0.75000000000000 126.904 > 105 110 I 0.50000000000000 0.75701693730034 0.75000000000000 126.904 > 105 111 I 0.50000000000000 0.24298306269966 0.25000000000000 126.904 > 107 112 I 0.50000000000000 0.74298306269966 0.25000000000000 126.904 > 107 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.8750979 0.0000000 -0.0476183 0.0000000 6.7234357 0.0000000 -0.0476182 0.0000000 6.8897611 -------------------------- Born effective charges -------------------------- 1 Nd 4.7148077 -0.0000000 -0.1152396 0.0000000 3.1128795 -0.0000000 -0.0002386 0.0000000 3.8163298 2 Nd 3.5880842 -0.3201384 -0.0662404 -0.1925867 4.3236940 -0.2531831 -0.2318002 0.0185363 3.8636838 3 Nd 3.5880842 0.3201384 -0.0662404 0.1925867 4.3236940 0.2531831 -0.2318002 -0.0185363 3.8636838 4 Nd 3.5880842 0.3201384 -0.0662404 0.1925867 4.3236940 0.2531831 -0.2318002 -0.0185363 3.8636838 5 Nd 3.5880842 -0.3201384 -0.0662404 -0.1925867 4.3236940 -0.2531831 -0.2318002 0.0185363 3.8636838 6 Nd 4.7148077 -0.0000000 -0.1152396 0.0000000 3.1128795 -0.0000000 -0.0002386 0.0000000 3.8163298 7 Si 2.3125249 0.0200999 -0.1811488 -0.3673186 2.4576451 0.2694957 -0.0585250 0.1467784 3.4490437 8 Si 2.3125249 -0.0200999 -0.1811488 0.3673186 2.4576451 -0.2694957 -0.0585250 -0.1467784 3.4490437 9 Si 2.3125249 -0.0200999 -0.1811488 0.3673186 2.4576451 -0.2694957 -0.0585250 -0.1467784 3.4490437 10 Si 2.3125249 0.0200999 -0.1811488 -0.3673186 2.4576451 0.2694957 -0.0585250 0.1467784 3.4490437 11 S -1.8720170 0.2587995 0.1649622 0.2239911 -1.6515312 -0.4456364 0.1952480 -0.5778354 -2.5418790 12 S -1.5947092 0.3138298 0.0633589 0.3710991 -1.7176078 -0.1227102 0.0730674 -0.1887314 -2.5636911 13 S -1.8720170 -0.2587995 0.1649622 -0.2239911 -1.6515312 0.4456364 0.1952480 0.5778354 -2.5418790 14 S -1.7680265 -0.1605596 0.0757054 -0.1840465 -2.3700568 -0.5783503 0.1665799 -0.4715350 -1.7063148 15 S -1.8720170 -0.2587995 0.1649622 -0.2239911 -1.6515312 0.4456364 0.1952480 0.5778354 -2.5418790 16 S -1.9575203 0.0887833 -0.1899347 0.1371942 -1.7756758 0.0387724 -0.2607860 0.1103205 -2.1680491 17 S -1.7680265 -0.1605596 0.0757054 -0.1840465 -2.3700568 -0.5783503 0.1665799 -0.4715350 -1.7063148 18 S -1.5947092 -0.3138298 0.0633589 -0.3710991 -1.7176078 0.1227102 0.0730674 0.1887314 -2.5636911 19 S -1.8720170 0.2587995 0.1649622 0.2239911 -1.6515312 -0.4456364 0.1952480 -0.5778354 -2.5418790 20 S -1.5947092 -0.3138298 0.0633589 -0.3710991 -1.7176078 0.1227102 0.0730674 0.1887314 -2.5636911 21 S -1.9575203 0.0887833 -0.1899347 0.1371942 -1.7756758 0.0387724 -0.2607860 0.1103205 -2.1680491 22 S -1.9575203 -0.0887833 -0.1899347 -0.1371942 -1.7756758 -0.0387724 -0.2607860 -0.1103205 -2.1680491 23 S -1.7680265 0.1605596 0.0757054 0.1840465 -2.3700568 0.5783503 0.1665799 0.4715350 -1.7063148 24 S -1.7680265 0.1605596 0.0757054 0.1840465 -2.3700568 0.5783503 0.1665799 0.4715350 -1.7063148 25 S -1.5947092 0.3138298 0.0633589 0.3710991 -1.7176078 -0.1227102 0.0730674 -0.1887314 -2.5636911 26 S -1.9575203 -0.0887833 -0.1899347 -0.1371942 -1.7756758 -0.0387724 -0.2607860 -0.1103205 -2.1680491 27 I -2.1314799 -0.0000000 0.3818345 0.0000000 -1.6458144 -0.0000000 0.2326704 0.0000000 -0.4819168 28 I -2.1314799 -0.0000000 0.3818345 0.0000000 -1.6458144 -0.0000000 0.2326704 0.0000000 -0.4819168 ---------------------------------------------------------------------------- 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 3, 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 41, 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 43, 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 47, 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 51, 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 105, 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xy) 0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 16:51:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 16:51:29]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.848295172341690 -3.875167465000000 0.000000000000000 b 7.848295172341690 3.875167465000000 0.000000000000000 c -1.464910153519469 0.000000000000000 10.626101968340208 Atomic positions (fractional): 1 Nd 0.40156549964556 0.59843450035444 0.75000000000000 144.242 2 Nd 0.07664264445371 0.32128047710951 0.68160702052277 144.242 3 Nd 0.32128047710951 0.07664264445371 0.18160702052277 144.242 4 Nd 0.67871952289049 0.92335735554629 0.81839297947723 144.242 5 Nd 0.92335735554629 0.67871952289049 0.31839297947723 144.242 6 Nd 0.59843450035444 0.40156549964556 0.25000000000000 144.242 7 Si 0.37688747675957 0.30310602951882 0.47065830805901 28.085 8 Si 0.69689397048117 0.62311252324044 0.02934169194099 28.085 9 Si 0.30310602951882 0.37688747675956 0.97065830805901 28.085 10 Si 0.62311252324043 0.69689397048118 0.52934169194099 28.085 11 S 0.25016657217560 0.45181983071494 0.16393936036188 32.065 12 S 0.14503826676010 0.28673226118372 0.41442298692596 32.065 13 S 0.45181983071494 0.25016657217560 0.66393936036188 32.065 14 S 0.60282712951435 0.10620313819317 0.35115171225044 32.065 15 S 0.54818016928506 0.74983342782440 0.33606063963812 32.065 16 S 0.27801161945770 0.58936582642530 0.45636728935292 32.065 17 S 0.39717287048565 0.89379686180683 0.64884828774956 32.065 18 S 0.28673226118372 0.14503826676010 0.91442298692596 32.065 19 S 0.74983342782440 0.54818016928506 0.83606063963812 32.065 20 S 0.71326773881628 0.85496173323990 0.08557701307404 32.065 21 S 0.72198838054230 0.41063417357470 0.54363271064708 32.065 22 S 0.58936582642530 0.27801161945770 0.95636728935292 32.065 23 S 0.89379686180683 0.39717287048565 0.14884828774956 32.065 24 S 0.10620313819317 0.60282712951435 0.85115171225044 32.065 25 S 0.85496173323990 0.71326773881628 0.58557701307404 32.065 26 S 0.41063417357470 0.72198838054230 0.04363271064708 32.065 27 I 0.98596612539932 0.01403387460069 0.75000000000000 126.904 28 I 0.01403387460068 0.98596612539932 0.25000000000000 126.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.696590344683379 0.000000000000000 0.000000000000000 b 0.000000000000000 15.500669859999999 0.000000000000000 c -1.464910153519469 0.000000000000000 10.626101968340208 Atomic positions (fractional): 1 Nd 0.00000000000000 0.29921725017722 0.75000000000000 144.242 > 1 2 Nd 0.00000000000000 0.79921725017722 0.75000000000000 144.242 > 1 3 Nd 0.19896156078161 0.06115945816395 0.68160702052277 144.242 > 3 4 Nd 0.19896156078161 0.56115945816395 0.68160702052277 144.242 > 3 5 Nd 0.19896156078161 0.43884054183605 0.18160702052277 144.242 > 5 6 Nd 0.19896156078161 0.93884054183605 0.18160702052277 144.242 > 5 7 Nd 0.30103843921839 0.31115945816395 0.81839297947723 144.242 > 7 8 Nd 0.30103843921839 0.81115945816395 0.81839297947723 144.242 > 7 9 Nd 0.30103843921839 0.18884054183605 0.31839297947723 144.242 > 9 10 Nd 0.30103843921839 0.68884054183605 0.31839297947723 144.242 > 9 11 Nd 0.00000000000000 0.20078274982278 0.25000000000000 144.242 > 11 12 Nd 0.00000000000000 0.70078274982278 0.25000000000000 144.242 > 11 13 Nd 0.50000000000000 0.04921725017722 0.75000000000000 144.242 > 1 14 Nd 0.50000000000000 0.54921725017722 0.75000000000000 144.242 > 1 15 Nd 0.69896156078161 0.31115945816395 0.68160702052277 144.242 > 3 16 Nd 0.69896156078161 0.81115945816395 0.68160702052277 144.242 > 3 17 Nd 0.69896156078161 0.18884054183605 0.18160702052277 144.242 > 5 18 Nd 0.69896156078161 0.68884054183605 0.18160702052277 144.242 > 5 19 Nd 0.80103843921839 0.06115945816395 0.81839297947723 144.242 > 7 20 Nd 0.80103843921839 0.56115945816395 0.81839297947723 144.242 > 7 21 Nd 0.80103843921839 0.43884054183605 0.31839297947723 144.242 > 9 22 Nd 0.80103843921839 0.93884054183605 0.31839297947723 144.242 > 9 23 Nd 0.50000000000000 0.45078274982278 0.25000000000000 144.242 > 11 24 Nd 0.50000000000000 0.95078274982278 0.25000000000000 144.242 > 11 25 Si 0.33999675313919 0.48155463818981 0.47065830805901 28.085 > 25 26 Si 0.33999675313919 0.98155463818982 0.47065830805901 28.085 > 25 27 Si 0.16000324686080 0.23155463818982 0.02934169194099 28.085 > 27 28 Si 0.16000324686080 0.73155463818982 0.02934169194099 28.085 > 27 29 Si 0.33999675313919 0.01844536181018 0.97065830805901 28.085 > 29 30 Si 0.33999675313919 0.51844536181018 0.97065830805901 28.085 > 29 31 Si 0.16000324686080 0.26844536181019 0.52934169194099 28.085 > 31 32 Si 0.16000324686080 0.76844536181018 0.52934169194099 28.085 > 31 33 Si 0.83999675313920 0.23155463818982 0.47065830805901 28.085 > 25 34 Si 0.83999675313920 0.73155463818982 0.47065830805901 28.085 > 25 35 Si 0.66000324686080 0.48155463818982 0.02934169194099 28.085 > 27 36 Si 0.66000324686080 0.98155463818982 0.02934169194099 28.085 > 27 37 Si 0.83999675313920 0.26844536181019 0.97065830805901 28.085 > 29 38 Si 0.83999675313920 0.76844536181018 0.97065830805901 28.085 > 29 39 Si 0.66000324686080 0.01844536181018 0.52934169194099 28.085 > 31 40 Si 0.66000324686080 0.51844536181018 0.52934169194099 28.085 > 31 41 S 0.35099320144527 0.05041331463484 0.16393936036188 32.065 > 41 42 S 0.35099320144527 0.55041331463484 0.16393936036188 32.065 > 41 43 S 0.21588526397191 0.03542349860590 0.41442298692596 32.065 > 43 44 S 0.21588526397191 0.53542349860590 0.41442298692596 32.065 > 43 45 S 0.35099320144527 0.44958668536516 0.66393936036188 32.065 > 45 46 S 0.35099320144527 0.94958668536516 0.66393936036188 32.065 > 45 47 S 0.35451513385376 0.37584400216971 0.35115171225044 32.065 > 47 48 S 0.35451513385376 0.87584400216971 0.35115171225044 32.065 > 47 49 S 0.14900679855473 0.30041331463484 0.33606063963812 32.065 > 49 50 S 0.14900679855473 0.80041331463484 0.33606063963812 32.065 > 49 51 S 0.43368872294150 0.07783855174190 0.45636728935292 32.065 > 51 52 S 0.43368872294150 0.57783855174190 0.45636728935292 32.065 > 51 53 S 0.14548486614624 0.37415599783029 0.64884828774956 32.065 > 53 54 S 0.14548486614624 0.87415599783029 0.64884828774956 32.065 > 53 55 S 0.21588526397191 0.46457650139410 0.91442298692596 32.065 > 55 56 S 0.21588526397191 0.96457650139410 0.91442298692596 32.065 > 55 57 S 0.14900679855473 0.19958668536516 0.83606063963812 32.065 > 57 58 S 0.14900679855473 0.69958668536516 0.83606063963812 32.065 > 57 59 S 0.28411473602809 0.28542349860590 0.08557701307404 32.065 > 59 60 S 0.28411473602809 0.78542349860590 0.08557701307404 32.065 > 59 61 S 0.06631127705850 0.17216144825810 0.54363271064708 32.065 > 61 62 S 0.06631127705850 0.67216144825810 0.54363271064708 32.065 > 61 63 S 0.43368872294150 0.42216144825810 0.95636728935292 32.065 > 63 64 S 0.43368872294150 0.92216144825810 0.95636728935292 32.065 > 63 65 S 0.14548486614624 0.12584400216971 0.14884828774956 32.065 > 65 66 S 0.14548486614624 0.62584400216971 0.14884828774956 32.065 > 65 67 S 0.35451513385376 0.12415599783029 0.85115171225044 32.065 > 67 68 S 0.35451513385376 0.62415599783029 0.85115171225044 32.065 > 67 69 S 0.28411473602809 0.21457650139410 0.58557701307404 32.065 > 69 70 S 0.28411473602809 0.71457650139410 0.58557701307404 32.065 > 69 71 S 0.06631127705850 0.32783855174190 0.04363271064708 32.065 > 71 72 S 0.06631127705850 0.82783855174190 0.04363271064708 32.065 > 71 73 S 0.85099320144527 0.30041331463484 0.16393936036188 32.065 > 41 74 S 0.85099320144527 0.80041331463484 0.16393936036188 32.065 > 41 75 S 0.71588526397191 0.28542349860590 0.41442298692596 32.065 > 43 76 S 0.71588526397191 0.78542349860590 0.41442298692596 32.065 > 43 77 S 0.85099320144527 0.19958668536516 0.66393936036188 32.065 > 45 78 S 0.85099320144527 0.69958668536516 0.66393936036188 32.065 > 45 79 S 0.85451513385376 0.12584400216971 0.35115171225044 32.065 > 47 80 S 0.85451513385376 0.62584400216971 0.35115171225044 32.065 > 47 81 S 0.64900679855473 0.05041331463484 0.33606063963812 32.065 > 49 82 S 0.64900679855473 0.55041331463484 0.33606063963812 32.065 > 49 83 S 0.93368872294150 0.32783855174190 0.45636728935292 32.065 > 51 84 S 0.93368872294150 0.82783855174190 0.45636728935292 32.065 > 51 85 S 0.64548486614624 0.12415599783029 0.64884828774956 32.065 > 53 86 S 0.64548486614624 0.62415599783029 0.64884828774956 32.065 > 53 87 S 0.71588526397191 0.21457650139410 0.91442298692596 32.065 > 55 88 S 0.71588526397191 0.71457650139410 0.91442298692596 32.065 > 55 89 S 0.64900679855473 0.44958668536516 0.83606063963812 32.065 > 57 90 S 0.64900679855473 0.94958668536516 0.83606063963812 32.065 > 57 91 S 0.78411473602809 0.03542349860590 0.08557701307404 32.065 > 59 92 S 0.78411473602809 0.53542349860590 0.08557701307404 32.065 > 59 93 S 0.56631127705850 0.42216144825810 0.54363271064708 32.065 > 61 94 S 0.56631127705850 0.92216144825810 0.54363271064708 32.065 > 61 95 S 0.93368872294150 0.17216144825810 0.95636728935292 32.065 > 63 96 S 0.93368872294150 0.67216144825810 0.95636728935292 32.065 > 63 97 S 0.64548486614624 0.37584400216971 0.14884828774956 32.065 > 65 98 S 0.64548486614624 0.87584400216971 0.14884828774956 32.065 > 65 99 S 0.85451513385376 0.37415599783029 0.85115171225044 32.065 > 67 100 S 0.85451513385376 0.87415599783029 0.85115171225044 32.065 > 67 101 S 0.78411473602809 0.46457650139410 0.58557701307404 32.065 > 69 102 S 0.78411473602809 0.96457650139410 0.58557701307404 32.065 > 69 103 S 0.56631127705850 0.07783855174190 0.04363271064708 32.065 > 71 104 S 0.56631127705850 0.57783855174190 0.04363271064708 32.065 > 71 105 I 0.00000000000000 0.00701693730034 0.75000000000000 126.904 > 105 106 I 0.00000000000000 0.50701693730034 0.75000000000000 126.904 > 105 107 I 0.00000000000000 0.49298306269966 0.25000000000000 126.904 > 107 108 I 0.00000000000000 0.99298306269966 0.25000000000000 126.904 > 107 109 I 0.50000000000000 0.25701693730034 0.75000000000000 126.904 > 105 110 I 0.50000000000000 0.75701693730034 0.75000000000000 126.904 > 105 111 I 0.50000000000000 0.24298306269966 0.25000000000000 126.904 > 107 112 I 0.50000000000000 0.74298306269966 0.25000000000000 126.904 > 107 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.8750979 0.0000000 -0.0476183 0.0000000 6.7234357 0.0000000 -0.0476182 0.0000000 6.8897611 -------------------------- Born effective charges -------------------------- 1 Nd 4.7148077 -0.0000000 -0.1152396 0.0000000 3.1128795 -0.0000000 -0.0002386 0.0000000 3.8163298 2 Nd 3.5880842 -0.3201384 -0.0662404 -0.1925867 4.3236940 -0.2531831 -0.2318002 0.0185363 3.8636838 3 Nd 3.5880842 0.3201384 -0.0662404 0.1925867 4.3236940 0.2531831 -0.2318002 -0.0185363 3.8636838 4 Nd 3.5880842 0.3201384 -0.0662404 0.1925867 4.3236940 0.2531831 -0.2318002 -0.0185363 3.8636838 5 Nd 3.5880842 -0.3201384 -0.0662404 -0.1925867 4.3236940 -0.2531831 -0.2318002 0.0185363 3.8636838 6 Nd 4.7148077 -0.0000000 -0.1152396 0.0000000 3.1128795 -0.0000000 -0.0002386 0.0000000 3.8163298 7 Si 2.3125249 0.0200999 -0.1811488 -0.3673186 2.4576451 0.2694957 -0.0585250 0.1467784 3.4490437 8 Si 2.3125249 -0.0200999 -0.1811488 0.3673186 2.4576451 -0.2694957 -0.0585250 -0.1467784 3.4490437 9 Si 2.3125249 -0.0200999 -0.1811488 0.3673186 2.4576451 -0.2694957 -0.0585250 -0.1467784 3.4490437 10 Si 2.3125249 0.0200999 -0.1811488 -0.3673186 2.4576451 0.2694957 -0.0585250 0.1467784 3.4490437 11 S -1.8720170 0.2587995 0.1649622 0.2239911 -1.6515312 -0.4456364 0.1952480 -0.5778354 -2.5418790 12 S -1.5947092 0.3138298 0.0633589 0.3710991 -1.7176078 -0.1227102 0.0730674 -0.1887314 -2.5636911 13 S -1.8720170 -0.2587995 0.1649622 -0.2239911 -1.6515312 0.4456364 0.1952480 0.5778354 -2.5418790 14 S -1.7680265 -0.1605596 0.0757054 -0.1840465 -2.3700568 -0.5783503 0.1665799 -0.4715350 -1.7063148 15 S -1.8720170 -0.2587995 0.1649622 -0.2239911 -1.6515312 0.4456364 0.1952480 0.5778354 -2.5418790 16 S -1.9575203 0.0887833 -0.1899347 0.1371942 -1.7756758 0.0387724 -0.2607860 0.1103205 -2.1680491 17 S -1.7680265 -0.1605596 0.0757054 -0.1840465 -2.3700568 -0.5783503 0.1665799 -0.4715350 -1.7063148 18 S -1.5947092 -0.3138298 0.0633589 -0.3710991 -1.7176078 0.1227102 0.0730674 0.1887314 -2.5636911 19 S -1.8720170 0.2587995 0.1649622 0.2239911 -1.6515312 -0.4456364 0.1952480 -0.5778354 -2.5418790 20 S -1.5947092 -0.3138298 0.0633589 -0.3710991 -1.7176078 0.1227102 0.0730674 0.1887314 -2.5636911 21 S -1.9575203 0.0887833 -0.1899347 0.1371942 -1.7756758 0.0387724 -0.2607860 0.1103205 -2.1680491 22 S -1.9575203 -0.0887833 -0.1899347 -0.1371942 -1.7756758 -0.0387724 -0.2607860 -0.1103205 -2.1680491 23 S -1.7680265 0.1605596 0.0757054 0.1840465 -2.3700568 0.5783503 0.1665799 0.4715350 -1.7063148 24 S -1.7680265 0.1605596 0.0757054 0.1840465 -2.3700568 0.5783503 0.1665799 0.4715350 -1.7063148 25 S -1.5947092 0.3138298 0.0633589 0.3710991 -1.7176078 -0.1227102 0.0730674 -0.1887314 -2.5636911 26 S -1.9575203 -0.0887833 -0.1899347 -0.1371942 -1.7756758 -0.0387724 -0.2607860 -0.1103205 -2.1680491 27 I -2.1314799 -0.0000000 0.3818345 0.0000000 -1.6458144 -0.0000000 0.2326704 0.0000000 -0.4819168 28 I -2.1314799 -0.0000000 0.3818345 0.0000000 -1.6458144 -0.0000000 0.2326704 0.0000000 -0.4819168 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 7 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: 0.48, Number of G-points: 293, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 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 1.173 ( 0.000 0.000 0.000) 0.000 1.279 ( 0.000 0.000 0.000) 0.000 1.621 ( 0.000 0.000 0.000) 0.000 1.676 ( 0.000 0.000 0.000) 0.000 1.954 ( 0.000 0.000 0.000) 0.000 2.053 ( 0.000 0.000 0.000) 0.000 2.209 ( 0.000 0.000 0.000) 0.000 2.463 ( 0.000 0.000 0.000) 0.000 2.468 ( 0.000 0.000 0.000) 0.000 2.482 ( 0.000 0.000 0.000) 0.000 2.542 ( 0.000 0.000 0.000) 0.000 2.577 ( 0.000 0.000 0.000) 0.000 2.760 ( 0.000 0.000 0.000) 0.000 2.764 ( 0.000 0.000 0.000) 0.000 3.025 ( 0.000 0.000 0.000) 0.000 3.031 ( 0.000 0.000 0.000) 0.000 3.098 ( 0.000 0.000 0.000) 0.000 3.101 ( 0.000 0.000 0.000) 0.000 3.285 ( 0.000 0.000 0.000) 0.000 3.335 ( 0.000 0.000 0.000) 0.000 3.592 ( 0.000 0.000 0.000) 0.000 3.666 ( 0.000 0.000 0.000) 0.000 3.839 ( 0.000 0.000 0.000) 0.000 3.973 ( 0.000 0.000 0.000) 0.000 4.040 ( 0.000 0.000 0.000) 0.000 4.094 ( 0.000 0.000 0.000) 0.000 4.132 ( 0.000 0.000 0.000) 0.000 4.133 ( 0.000 0.000 0.000) 0.000 4.254 ( 0.000 0.000 0.000) 0.000 4.276 ( 0.000 0.000 0.000) 0.000 4.417 ( 0.000 0.000 0.000) 0.000 4.626 ( 0.000 0.000 0.000) 0.000 4.671 ( 0.000 0.000 0.000) 0.000 4.726 ( 0.000 0.000 0.000) 0.000 4.797 ( 0.000 0.000 0.000) 0.000 5.081 ( 0.000 0.000 0.000) 0.000 5.131 ( 0.000 0.000 0.000) 0.000 5.183 ( 0.000 0.000 0.000) 0.000 5.358 ( 0.000 0.000 0.000) 0.000 5.590 ( 0.000 0.000 0.000) 0.000 5.592 ( 0.000 0.000 0.000) 0.000 5.870 ( 0.000 0.000 0.000) 0.000 6.010 ( 0.000 0.000 0.000) 0.000 6.110 ( 0.000 0.000 0.000) 0.000 6.178 ( 0.000 0.000 0.000) 0.000 6.202 ( 0.000 0.000 0.000) 0.000 6.243 ( 0.000 0.000 0.000) 0.000 6.323 ( 0.000 0.000 0.000) 0.000 6.747 ( 0.000 0.000 0.000) 0.000 7.041 ( 0.000 0.000 0.000) 0.000 7.042 ( 0.000 0.000 0.000) 0.000 7.211 ( 0.000 0.000 0.000) 0.000 7.374 ( 0.000 0.000 0.000) 0.000 7.467 ( 0.000 0.000 0.000) 0.000 7.533 ( 0.000 0.000 0.000) 0.000 7.873 ( 0.000 0.000 0.000) 0.000 7.974 ( 0.000 0.000 0.000) 0.000 8.127 ( 0.000 0.000 0.000) 0.000 8.167 ( 0.000 0.000 0.000) 0.000 8.287 ( 0.000 0.000 0.000) 0.000 8.389 ( 0.000 0.000 0.000) 0.000 8.408 ( 0.000 0.000 0.000) 0.000 8.468 ( 0.000 0.000 0.000) 0.000 8.830 ( 0.000 0.000 0.000) 0.000 8.834 ( 0.000 0.000 0.000) 0.000 11.829 ( 0.000 0.000 0.000) 0.000 11.896 ( 0.000 0.000 0.000) 0.000 11.910 ( 0.000 0.000 0.000) 0.000 12.082 ( 0.000 0.000 0.000) 0.000 15.267 ( 0.000 0.000 0.000) 0.000 15.314 ( 0.000 0.000 0.000) 0.000 15.526 ( 0.000 0.000 0.000) 0.000 15.708 ( 0.000 0.000 0.000) 0.000 15.716 ( 0.000 0.000 0.000) 0.000 15.736 ( 0.000 0.000 0.000) 0.000 15.933 ( 0.000 0.000 0.000) 0.000 15.996 ( 0.000 0.000 0.000) 0.000 16.161 ( 0.000 0.000 0.000) 0.000 16.193 ( 0.000 0.000 0.000) 0.000 16.256 ( 0.000 0.000 0.000) 0.000 16.776 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.454 ( 0.168 -24.392 1.014) 24.414 0.529 ( 4.886 -24.910 2.912) 25.551 0.929 ( 23.783 -36.051 -2.535) 43.264 1.155 ( -1.297 1.291 -0.078) 1.832 1.275 ( -0.280 -0.191 0.357) 0.492 1.644 ( -0.844 -2.493 -0.340) 2.654 1.752 ( 4.812 -5.342 1.671) 7.381 1.963 ( -1.578 -1.740 0.149) 2.353 2.060 ( -0.224 -0.838 -1.192) 1.474 2.242 ( -1.153 0.270 0.882) 1.477 2.308 ( -5.027 6.327 1.520) 8.222 2.433 ( 1.981 3.928 -0.722) 4.458 2.510 ( -1.723 1.946 -1.207) 2.866 2.587 ( 2.459 1.435 -1.640) 3.286 2.599 ( 0.831 0.144 0.378) 0.925 2.680 ( -1.603 5.565 1.025) 5.881 2.748 ( 3.523 3.305 -0.238) 4.837 2.992 ( 2.051 6.751 0.535) 7.076 3.033 ( -1.196 3.119 0.223) 3.348 3.084 ( 0.492 -0.755 -1.282) 1.567 3.140 ( -0.102 -2.877 0.080) 2.880 3.222 ( -1.925 5.802 -0.808) 6.166 3.423 ( 1.772 -5.663 0.153) 5.935 3.608 ( -0.896 4.868 0.884) 5.028 3.655 ( -0.691 -5.006 0.165) 5.056 3.855 ( 0.792 -1.171 -0.355) 1.458 3.989 ( -1.251 -1.963 -0.405) 2.363 4.080 ( -1.640 4.305 2.971) 5.482 4.104 ( -1.542 -5.346 0.143) 5.565 4.160 ( -1.408 -3.262 2.046) 4.100 4.215 ( -0.412 -0.913 -8.496) 8.555 4.269 ( 0.266 -1.665 0.916) 1.919 4.380 ( 2.491 1.005 4.536) 5.272 4.410 ( 0.522 0.588 2.090) 2.233 4.628 ( 1.276 1.170 -9.198) 9.360 4.657 ( -0.590 2.651 3.629) 4.532 4.721 ( 1.075 -0.539 2.940) 3.177 4.989 ( -3.658 -0.974 2.529) 4.553 5.114 ( -1.720 -0.240 -2.723) 3.229 5.175 ( 0.764 0.221 1.286) 1.512 5.194 ( 5.105 0.609 -2.260) 5.616 5.429 ( -2.137 0.964 -2.833) 3.678 5.591 ( -2.413 -1.246 -4.209) 5.009 5.630 ( 0.926 -2.747 4.104) 5.024 5.887 ( -1.085 -1.639 2.520) 3.196 5.995 ( -2.039 0.663 -2.384) 3.207 6.097 ( -0.845 4.646 1.354) 4.913 6.161 ( 0.326 -4.423 -0.072) 4.435 6.212 ( 0.924 3.059 0.104) 3.197 6.270 ( -2.655 -2.904 3.085) 5.000 6.318 ( 0.395 -0.408 -0.748) 0.939 6.720 ( 0.612 4.349 -0.148) 4.394 7.011 ( -2.942 3.550 1.951) 5.006 7.080 ( -3.779 1.016 -0.177) 3.917 7.246 ( 2.644 1.787 1.656) 3.596 7.337 ( 3.639 4.818 -0.792) 6.090 7.597 ( 1.085 -4.660 -0.427) 4.804 7.668 ( -12.011 -6.096 3.008) 13.802 7.866 ( 5.009 4.123 -0.139) 6.489 7.991 ( -1.873 3.634 1.145) 4.246 8.128 ( 12.695 5.119 -7.896) 15.802 8.276 ( -1.646 -2.224 7.336) 7.840 8.309 ( 3.034 -4.149 -1.452) 5.341 8.404 ( -0.287 0.245 -0.592) 0.702 8.423 ( 1.436 -2.342 -4.561) 5.324 8.513 ( -0.918 -0.444 0.545) 1.156 8.814 ( 0.510 1.966 0.339) 2.059 8.832 ( 0.488 0.571 0.160) 0.768 11.832 ( -0.211 -0.331 -0.676) 0.782 11.904 ( 0.206 -0.379 0.647) 0.778 11.907 ( 0.502 0.252 0.240) 0.611 12.085 ( -0.753 0.601 -0.372) 1.033 15.277 ( -0.539 -1.341 -0.510) 1.533 15.463 ( -5.158 -4.479 -3.179) 7.534 15.530 ( -0.360 1.263 6.649) 6.777 15.698 ( 2.684 2.427 -1.807) 4.045 15.720 ( -0.869 0.328 -1.093) 1.434 15.762 ( 4.281 2.010 0.052) 4.729 16.005 ( 0.351 -0.397 0.149) 0.551 16.146 ( -2.517 0.819 -1.767) 3.183 16.201 ( 2.499 -0.711 0.285) 2.614 16.267 ( 0.079 -1.651 -3.341) 3.727 16.302 ( -2.943 -2.544 4.968) 6.310 16.805 ( -5.790 2.371 -0.156) 6.259 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( 2.981 -20.814 -0.003) 21.027 0.980 ( 2.382 -18.148 4.574) 18.866 1.109 ( -1.701 1.616 0.033) 2.346 1.276 ( 0.432 -2.811 -2.240) 3.620 1.682 ( -1.168 -2.162 -1.908) 3.111 1.706 ( 15.751 -22.635 -2.289) 27.671 1.908 ( 0.037 -6.733 4.919) 8.339 1.994 ( 0.675 -2.806 0.893) 3.021 2.079 ( 0.627 -1.741 -1.667) 2.491 2.138 ( -6.630 3.222 0.901) 7.427 2.268 ( 2.821 -1.255 0.716) 3.169 2.382 ( 3.490 3.202 -2.976) 5.594 2.453 ( -3.073 0.781 -0.643) 3.235 2.526 ( 0.487 6.205 2.431) 6.682 2.552 ( -2.613 2.304 -2.256) 4.150 2.585 ( 1.275 7.161 0.215) 7.276 2.712 ( 5.534 3.846 0.378) 6.750 2.853 ( 1.354 8.133 3.365) 8.905 2.970 ( -0.218 3.536 -0.694) 3.610 3.054 ( 0.023 0.970 0.089) 0.975 3.187 ( 2.699 -3.237 -5.148) 6.653 3.222 ( -1.337 -3.498 1.099) 3.903 3.488 ( -0.854 6.833 0.681) 6.920 3.507 ( -1.254 -1.708 1.797) 2.779 3.734 ( -2.187 -4.228 -0.111) 4.761 3.877 ( -1.372 2.008 0.982) 2.622 3.980 ( -0.008 1.544 1.009) 1.845 4.014 ( -1.744 -1.709 0.491) 2.490 4.152 ( -3.292 -2.329 0.656) 4.085 4.208 ( -1.011 -1.811 -0.093) 2.076 4.240 ( 2.572 -0.266 -1.440) 2.960 4.309 ( 0.421 -1.082 -0.485) 1.258 4.382 ( 1.273 -0.142 -1.275) 1.807 4.404 ( 0.881 0.504 1.347) 1.686 4.603 ( -3.443 -0.391 -0.095) 3.467 4.616 ( 1.432 1.048 -4.735) 5.056 4.765 ( 1.138 -2.061 2.978) 3.796 4.949 ( -1.425 2.765 0.761) 3.203 5.099 ( -0.568 0.107 -4.546) 4.582 5.169 ( 2.168 1.463 3.729) 4.555 5.245 ( 2.154 -1.500 -0.262) 2.638 5.409 ( 0.968 0.086 -1.724) 1.979 5.582 ( -1.360 -0.530 -3.179) 3.498 5.701 ( 1.811 -2.432 4.486) 5.414 5.908 ( -5.336 -0.900 3.694) 6.552 5.948 ( -1.273 0.440 -4.697) 4.887 6.017 ( -0.645 2.782 -0.054) 2.856 6.145 ( 2.210 3.866 1.353) 4.654 6.228 ( -2.426 0.207 1.300) 2.760 6.298 ( -1.114 -4.721 0.097) 4.852 6.360 ( 0.962 -2.734 0.451) 2.933 6.630 ( -1.037 4.376 -0.591) 4.536 6.905 ( -4.474 2.650 0.294) 5.209 7.063 ( 0.017 0.450 1.236) 1.316 7.201 ( -0.034 3.928 0.029) 3.929 7.279 ( 3.073 4.150 -1.499) 5.377 7.662 ( 2.684 0.312 -0.024) 2.702 7.671 ( -6.660 -2.693 0.453) 7.198 7.812 ( 1.209 2.327 -1.370) 2.959 7.982 ( 3.234 -0.157 2.027) 3.820 8.151 ( 2.418 -0.996 -1.242) 2.895 8.293 ( 0.804 -0.283 4.647) 4.725 8.360 ( -0.760 1.569 -0.954) 1.987 8.435 ( 0.438 -1.700 -2.752) 3.264 8.456 ( -2.346 -4.694 -1.459) 5.447 8.549 ( 2.884 -2.272 -0.346) 3.688 8.773 ( 1.328 3.143 0.764) 3.496 8.817 ( -0.136 1.335 -0.146) 1.350 11.837 ( -0.580 -0.682 -0.861) 1.242 11.895 ( 0.517 1.026 0.833) 1.419 11.931 ( 0.736 -1.399 0.564) 1.678 12.060 ( -0.706 1.307 -0.593) 1.599 15.304 ( -0.819 -2.386 -0.804) 2.647 15.459 ( 0.119 2.725 1.728) 3.229 15.546 ( -1.197 -3.780 0.021) 3.965 15.677 ( 1.895 1.604 -0.469) 2.526 15.706 ( -1.210 0.287 -1.379) 1.857 15.761 ( 1.224 0.805 0.484) 1.543 16.011 ( 0.342 0.047 0.027) 0.346 16.100 ( -1.933 1.496 -0.862) 2.592 16.247 ( 3.229 -0.832 1.321) 3.587 16.291 ( -2.149 -1.666 5.635) 6.257 16.340 ( 0.509 -2.978 -5.698) 6.450 16.683 ( -4.517 5.146 0.230) 6.851 ======================= Grid point 3 (4/72) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( -0.629 0.875 0.041) 1.078 1.139 ( 1.258 -1.994 0.442) 2.399 1.294 ( -0.204 -15.078 1.733) 15.178 1.405 ( 3.073 -5.989 -1.114) 6.822 1.636 ( -0.627 5.806 -1.008) 5.926 1.921 ( -0.036 -1.358 -1.151) 1.781 1.954 ( -4.224 -2.055 4.240) 6.328 2.070 ( -3.007 -1.254 0.102) 3.259 2.142 ( 3.306 -4.194 0.016) 5.340 2.156 ( 2.311 -4.797 -1.133) 5.444 2.326 ( 0.034 9.829 -1.284) 9.912 2.356 ( -1.622 -0.484 1.161) 2.053 2.399 ( 2.606 -0.642 -3.371) 4.309 2.457 ( 0.428 3.703 2.892) 4.718 2.476 ( 0.451 1.816 -0.399) 1.913 2.499 ( 1.024 -1.111 -2.748) 3.136 2.693 ( 1.217 3.309 0.435) 3.552 2.854 ( 1.457 -2.777 4.320) 5.338 2.947 ( 8.262 -3.540 -1.059) 9.050 3.103 ( 0.966 -4.026 0.230) 4.147 3.234 ( -3.153 0.125 -1.544) 3.513 3.275 ( 1.910 -3.049 -2.426) 4.339 3.328 ( -2.665 9.033 0.450) 9.429 3.450 ( -4.093 4.010 2.227) 6.147 3.729 ( -2.328 1.017 -0.335) 2.563 3.832 ( 0.332 -0.296 0.606) 0.752 4.013 ( -2.221 -2.877 0.643) 3.691 4.026 ( 2.003 0.702 0.348) 2.150 4.151 ( -1.065 -0.134 0.426) 1.155 4.213 ( -1.229 -0.366 0.791) 1.506 4.229 ( 0.443 1.584 -1.214) 2.044 4.305 ( -0.481 0.490 -0.899) 1.131 4.404 ( 0.938 -0.853 -0.870) 1.538 4.436 ( 1.681 -1.038 -0.110) 1.979 4.599 ( 0.229 -0.281 4.492) 4.506 4.614 ( -1.348 -0.704 -5.347) 5.559 4.818 ( -0.393 -2.998 1.191) 3.250 4.883 ( 0.841 3.730 -0.244) 3.832 5.086 ( -0.282 0.257 -1.610) 1.654 5.176 ( 0.971 0.083 1.558) 1.837 5.273 ( 0.374 -0.419 0.001) 0.562 5.425 ( 0.677 -0.485 -1.078) 1.363 5.592 ( 1.238 -0.704 -0.317) 1.459 5.742 ( 0.559 -0.300 2.109) 2.203 5.829 ( -4.354 1.863 -0.422) 4.754 5.956 ( 0.410 -1.087 -2.272) 2.551 5.989 ( -1.008 0.614 1.724) 2.089 6.124 ( 1.835 0.482 -0.905) 2.102 6.187 ( -1.366 1.491 2.432) 3.163 6.323 ( -1.719 -0.290 -0.968) 1.994 6.460 ( 2.379 -4.920 0.357) 5.477 6.552 ( -1.520 3.176 -0.022) 3.521 6.850 ( -2.015 0.277 -0.181) 2.042 7.053 ( 1.460 1.472 1.090) 2.343 7.131 ( -1.291 1.845 -0.399) 2.287 7.247 ( 1.333 1.355 -0.853) 2.083 7.630 ( -0.880 1.347 -0.067) 1.610 7.676 ( -0.471 -0.519 0.152) 0.717 7.806 ( 0.291 -0.001 -0.535) 0.609 8.018 ( 1.837 -0.506 0.361) 1.939 8.202 ( 0.831 -2.508 0.605) 2.710 8.303 ( -1.234 2.473 -0.430) 2.797 8.311 ( 0.619 -0.155 1.464) 1.597 8.429 ( -0.785 0.017 -1.297) 1.516 8.547 ( -1.004 -4.912 0.910) 5.095 8.596 ( 1.633 0.640 -1.828) 2.533 8.745 ( 2.644 1.170 1.572) 3.291 8.780 ( -1.765 1.554 -0.924) 2.527 11.843 ( -0.406 -0.483 -0.489) 0.798 11.883 ( 0.367 0.651 0.465) 0.881 11.966 ( 0.679 -1.356 0.604) 1.632 12.027 ( -0.619 1.293 -0.594) 1.552 15.347 ( -0.839 -3.157 -0.979) 3.410 15.402 ( 0.648 3.650 1.310) 3.932 15.613 ( 0.024 -3.382 0.089) 3.383 15.672 ( 1.207 0.680 0.361) 1.431 15.677 ( -1.256 1.400 -1.110) 2.184 15.758 ( 0.266 0.281 0.155) 0.417 16.012 ( 0.171 0.065 -0.058) 0.191 16.064 ( -0.727 0.779 -0.177) 1.080 16.280 ( 1.986 0.266 1.489) 2.497 16.303 ( -1.678 -1.180 1.082) 2.320 16.404 ( 1.381 -3.064 -2.757) 4.347 16.557 ( -2.774 4.061 0.690) 4.966 ======================= Grid point 8 (5/72) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.342 ( 19.331 -0.000 -5.767) 20.173 0.482 ( 25.611 -0.000 0.245) 25.612 0.785 ( 41.526 -0.000 2.775) 41.619 1.148 ( -2.459 0.000 -0.439) 2.498 1.265 ( -1.536 0.000 0.137) 1.542 1.625 ( -0.442 0.000 3.297) 3.327 1.762 ( 8.703 -0.000 0.438) 8.714 1.931 ( -1.884 0.000 -0.708) 2.012 2.044 ( -1.151 0.000 -2.400) 2.662 2.223 ( 0.085 -0.000 0.425) 0.433 2.347 ( -5.088 0.000 1.901) 5.431 2.413 ( -6.945 0.000 0.457) 6.960 2.554 ( 3.006 -0.000 0.686) 3.083 2.555 ( 1.257 -0.000 0.580) 1.384 2.688 ( -4.560 0.000 -5.092) 6.836 2.776 ( 1.681 -0.000 -1.709) 2.397 2.794 ( -0.494 0.000 -0.134) 0.512 3.023 ( -0.520 0.000 1.934) 2.002 3.066 ( 2.127 -0.000 0.580) 2.205 3.098 ( 0.408 -0.000 -0.493) 0.640 3.102 ( 0.561 -0.000 -0.804) 0.980 3.273 ( -1.038 0.000 -0.773) 1.294 3.397 ( 4.444 -0.000 -2.783) 5.244 3.577 ( -1.449 0.000 1.394) 2.011 3.648 ( -1.763 0.000 2.186) 2.808 3.856 ( 0.972 -0.000 0.129) 0.981 3.937 ( -3.947 0.000 0.547) 3.984 4.046 ( 0.320 -0.000 1.197) 1.239 4.109 ( 2.206 -0.000 1.045) 2.441 4.129 ( -1.865 0.000 0.707) 1.995 4.148 ( 1.398 -0.000 0.412) 1.458 4.295 ( 2.346 -0.000 -5.622) 6.092 4.398 ( -1.828 0.000 -1.573) 2.412 4.454 ( 2.145 -0.000 9.864) 10.095 4.616 ( -4.364 0.000 -2.119) 4.851 4.689 ( -3.797 0.000 1.775) 4.192 4.791 ( -0.569 0.000 -2.920) 2.975 4.868 ( 0.547 -0.000 5.521) 5.548 5.094 ( 1.233 -0.000 -2.414) 2.711 5.196 ( 2.206 -0.000 -1.577) 2.712 5.239 ( 4.009 -0.000 -9.325) 10.150 5.378 ( 1.929 -0.000 -1.126) 2.234 5.565 ( -2.334 0.000 -0.066) 2.335 5.601 ( 0.792 -0.000 0.444) 0.908 5.861 ( -1.877 0.000 5.448) 5.762 5.987 ( -1.439 0.000 -3.457) 3.744 6.117 ( 0.594 -0.000 -0.309) 0.669 6.144 ( -4.724 0.000 -1.316) 4.904 6.180 ( -0.955 0.000 4.391) 4.493 6.281 ( -4.145 0.000 -1.885) 4.553 6.295 ( 3.152 -0.000 3.871) 4.992 6.787 ( -1.165 0.000 -0.597) 1.309 6.978 ( -5.637 0.000 0.583) 5.667 7.068 ( -8.295 0.000 4.017) 9.217 7.383 ( 6.746 -0.000 9.662) 11.784 7.407 ( -1.959 0.000 2.113) 2.881 7.472 ( 5.676 -0.000 -2.488) 6.197 7.533 ( 0.352 -0.000 -1.353) 1.398 7.918 ( 3.488 -0.000 2.797) 4.471 8.062 ( -6.387 0.000 1.899) 6.663 8.177 ( 1.120 -0.000 -0.391) 1.187 8.286 ( 2.763 -0.000 -14.256) 14.521 8.395 ( 0.782 -0.000 -2.134) 2.273 8.397 ( -0.718 0.000 -0.013) 0.718 8.436 ( -3.173 0.000 0.380) 3.196 8.485 ( 3.623 -0.000 -0.848) 3.721 8.839 ( 0.744 -0.000 0.656) 0.992 8.853 ( 1.915 -0.000 -0.119) 1.919 11.825 ( -0.765 0.000 -1.342) 1.545 11.903 ( 0.656 -0.000 0.630) 0.909 11.921 ( 0.846 -0.000 0.944) 1.268 12.074 ( -0.749 0.000 -0.588) 0.952 15.269 ( 0.158 -0.000 0.275) 0.317 15.306 ( -0.685 0.000 -0.811) 1.062 15.543 ( -1.273 0.000 5.291) 5.442 15.703 ( -0.510 0.000 -0.096) 0.519 15.737 ( 0.176 -0.000 -0.325) 0.369 15.945 ( 1.241 -0.000 -0.438) 1.316 16.007 ( 1.035 -0.000 0.489) 1.145 16.123 ( 2.097 -0.000 -18.316) 18.436 16.176 ( 1.551 -0.000 0.857) 1.772 16.197 ( 0.664 -0.000 -1.950) 2.060 16.266 ( -2.915 0.000 17.482) 17.723 16.738 ( -3.963 0.000 0.248) 3.971 ======================= Grid point 9 (6/72) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( 17.744 -9.285 6.846) 21.164 0.709 ( 16.473 -13.980 -5.374) 22.264 1.113 ( -2.911 0.954 -0.440) 3.095 1.244 ( -0.034 -1.008 -1.517) 1.821 1.448 ( 26.364 -22.630 -0.036) 34.744 1.634 ( -0.887 -1.793 2.510) 3.210 1.855 ( 2.946 -0.593 2.123) 3.680 1.949 ( 2.067 -3.048 0.841) 3.778 2.042 ( -1.321 -2.117 -3.388) 4.208 2.156 ( -4.838 4.096 -0.773) 6.386 2.307 ( 2.632 1.370 1.661) 3.400 2.373 ( -7.151 -1.105 0.199) 7.239 2.520 ( 0.587 5.083 -1.961) 5.479 2.564 ( -1.455 1.534 1.436) 2.556 2.623 ( 0.468 -0.407 -1.506) 1.629 2.682 ( 0.633 6.971 0.863) 7.053 2.809 ( 2.995 0.874 0.264) 3.131 2.987 ( -2.117 5.719 0.649) 6.133 3.053 ( 2.445 3.554 -0.134) 4.316 3.092 ( 0.705 0.669 0.210) 0.995 3.146 ( 0.544 -3.528 1.061) 3.724 3.200 ( 0.585 3.777 -3.500) 5.183 3.458 ( 1.111 -2.861 -0.433) 3.100 3.574 ( -2.879 2.645 3.111) 4.997 3.638 ( -1.642 -3.003 0.446) 3.451 3.857 ( -1.048 -0.940 -0.731) 1.586 3.928 ( -4.392 -1.614 2.043) 5.106 4.071 ( -0.824 -2.355 2.734) 3.701 4.079 ( 0.420 4.829 -0.485) 4.872 4.157 ( 0.124 -2.639 1.537) 3.056 4.210 ( 1.231 -4.490 -1.068) 4.777 4.319 ( 2.044 -0.135 -3.144) 3.752 4.375 ( 0.145 -0.359 -1.111) 1.177 4.453 ( 1.998 2.792 2.833) 4.451 4.547 ( -3.659 0.171 -5.444) 6.561 4.685 ( -1.338 2.242 -3.477) 4.349 4.745 ( 1.193 -0.754 5.911) 6.077 4.927 ( -3.008 -2.612 1.655) 4.314 5.095 ( -0.089 0.459 -4.627) 4.650 5.218 ( 3.619 0.521 1.255) 3.865 5.271 ( 4.408 0.367 -1.882) 4.807 5.410 ( 0.832 -0.930 -3.161) 3.398 5.542 ( -1.557 -0.785 -1.363) 2.213 5.655 ( 0.545 -3.775 3.067) 4.894 5.856 ( -3.498 -0.788 4.481) 5.739 5.949 ( -1.084 1.486 -3.389) 3.856 6.057 ( -4.090 3.029 -0.984) 5.184 6.163 ( -1.409 -3.660 0.283) 3.932 6.211 ( -1.505 -1.617 -0.528) 2.271 6.214 ( -2.780 0.810 2.321) 3.711 6.337 ( 1.770 -1.026 2.193) 2.999 6.705 ( -1.790 5.236 -0.915) 5.609 6.939 ( -4.539 4.753 1.703) 6.789 6.989 ( -4.850 -4.268 0.838) 6.514 7.319 ( 2.823 5.035 0.115) 5.773 7.405 ( 2.854 6.078 -0.163) 6.717 7.540 ( -2.783 -4.659 3.063) 6.232 7.642 ( 4.361 -4.851 -1.139) 6.621 7.913 ( -1.238 6.215 -0.210) 6.341 7.982 ( 1.235 -2.125 3.979) 4.676 8.231 ( 3.077 5.431 -7.451) 9.720 8.265 ( -0.919 -5.285 3.911) 6.639 8.367 ( 1.065 0.480 2.264) 2.547 8.385 ( -2.163 1.038 -2.412) 3.402 8.417 ( 0.583 -0.969 -3.964) 4.122 8.538 ( 3.196 -1.936 -0.379) 3.756 8.828 ( 0.948 1.834 0.393) 2.101 8.853 ( 1.522 1.699 0.312) 2.302 11.820 ( -0.710 -0.406 -1.134) 1.399 11.916 ( 0.745 -0.039 1.244) 1.451 11.923 ( 0.967 0.125 0.573) 1.131 12.066 ( -1.140 0.272 -0.843) 1.444 15.263 ( -0.684 -0.844 -0.763) 1.328 15.396 ( -1.949 -6.852 -0.295) 7.130 15.525 ( -1.105 1.293 2.841) 3.311 15.699 ( -0.694 -0.005 -0.573) 0.899 15.727 ( 0.723 1.296 -0.601) 1.601 15.848 ( 4.313 6.446 -0.797) 7.797 16.017 ( 0.923 0.076 0.274) 0.965 16.117 ( -0.305 1.640 -1.931) 2.552 16.224 ( 0.013 -3.032 -1.246) 3.278 16.257 ( -0.108 -2.531 -2.240) 3.382 16.281 ( -0.265 -2.512 6.100) 6.602 16.690 ( -6.329 1.351 0.177) 6.474 ======================= Grid point 10 (7/72) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 5.593 -8.968 4.546) 11.505 1.073 ( -0.959 -1.400 0.397) 1.743 1.082 ( 11.999 -10.969 -1.477) 16.325 1.304 ( 3.694 -7.072 -1.925) 8.207 1.659 ( -2.430 -3.137 -0.107) 3.970 1.838 ( -4.692 -0.390 5.572) 7.295 1.883 ( 0.408 -4.668 -1.856) 5.040 2.034 ( -2.442 0.498 0.386) 2.522 2.078 ( 4.958 -6.041 -0.795) 7.856 2.163 ( 8.103 -1.763 -3.019) 8.825 2.315 ( 0.344 -1.119 -1.440) 1.856 2.342 ( -2.234 -3.343 0.101) 4.022 2.429 ( -0.028 4.208 -1.582) 4.496 2.515 ( -0.868 1.781 0.178) 1.989 2.567 ( 0.859 6.020 0.461) 6.099 2.623 ( 2.193 5.468 2.045) 6.236 2.809 ( 2.584 6.280 0.294) 6.797 2.853 ( 1.056 1.414 3.388) 3.820 3.008 ( 3.904 1.587 -3.455) 5.449 3.068 ( 2.548 0.586 0.143) 2.619 3.199 ( -1.044 -1.743 0.827) 2.194 3.229 ( 2.347 -3.252 -2.896) 4.947 3.456 ( -2.012 6.233 0.939) 6.616 3.489 ( -2.044 1.751 2.373) 3.588 3.671 ( -4.724 -2.923 0.305) 5.564 3.864 ( -0.831 3.482 1.230) 3.785 3.904 ( -4.466 -4.949 -0.412) 6.679 4.022 ( -1.531 -0.180 1.416) 2.094 4.111 ( 0.193 -1.911 -0.249) 1.937 4.191 ( -0.871 -0.725 0.676) 1.320 4.264 ( -0.752 -0.144 0.642) 0.999 4.311 ( 0.676 0.568 -2.917) 3.047 4.418 ( 0.252 -1.232 0.371) 1.311 4.428 ( 4.068 0.750 -1.138) 4.290 4.553 ( -1.048 -3.042 -3.233) 4.561 4.619 ( -1.326 2.239 -0.642) 2.681 4.785 ( 0.753 -1.037 3.686) 3.902 4.928 ( -1.151 0.351 -0.211) 1.222 5.079 ( -0.218 0.154 -3.983) 3.992 5.226 ( 3.160 2.105 2.169) 4.373 5.298 ( 3.723 0.838 0.678) 3.876 5.425 ( 1.050 -0.369 -2.602) 2.830 5.573 ( 1.199 -2.375 -0.243) 2.672 5.705 ( -3.956 -1.498 2.913) 5.136 5.826 ( -2.056 0.492 0.423) 2.156 5.939 ( 0.825 -0.876 -3.447) 3.651 5.982 ( -2.993 0.707 0.036) 3.075 6.149 ( -3.629 0.728 2.750) 4.612 6.189 ( -1.022 0.435 1.742) 2.066 6.267 ( -1.394 -3.140 -1.205) 3.640 6.394 ( 2.032 -3.840 0.941) 4.445 6.599 ( -1.786 3.920 -0.925) 4.406 6.838 ( -2.849 2.232 0.577) 3.665 7.033 ( -2.602 -3.727 1.029) 4.661 7.231 ( 2.563 7.146 -0.168) 7.593 7.315 ( 0.899 4.881 -1.564) 5.204 7.567 ( -4.320 -2.035 1.508) 5.008 7.716 ( 2.531 0.865 0.035) 2.675 7.842 ( 3.036 1.307 -1.894) 3.809 8.032 ( 0.958 -0.597 2.873) 3.087 8.186 ( 1.820 0.587 -1.308) 2.317 8.323 ( -0.155 -0.101 4.834) 4.838 8.331 ( -1.168 1.740 -1.624) 2.651 8.402 ( -1.417 -3.154 -0.623) 3.513 8.449 ( 0.849 -2.940 -2.911) 4.223 8.602 ( 2.524 -1.606 -1.082) 3.181 8.796 ( 0.854 2.424 0.110) 2.572 8.817 ( 0.142 2.961 0.419) 2.993 11.824 ( -0.490 -0.812 -0.765) 1.218 11.906 ( 0.422 1.191 0.762) 1.475 11.950 ( 1.082 -1.322 0.928) 1.944 12.041 ( -1.049 1.075 -0.973) 1.790 15.284 ( -1.046 -2.366 -0.931) 2.749 15.462 ( -0.198 1.478 1.814) 2.348 15.521 ( -1.342 -4.799 -0.384) 4.998 15.682 ( -0.387 1.013 -1.217) 1.630 15.712 ( 0.912 1.099 0.154) 1.436 15.797 ( 2.597 2.970 0.301) 3.957 16.019 ( 0.448 0.408 0.110) 0.615 16.081 ( -0.143 1.622 -0.530) 1.712 16.259 ( -2.163 -1.217 2.901) 3.818 16.299 ( 1.563 -2.155 1.372) 2.995 16.345 ( 1.770 -3.220 -3.705) 5.218 16.588 ( -5.625 3.169 0.481) 6.474 ======================= Grid point 11 (8/72) ======================= q-point: ( 0.57 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( -1.085 -0.602 -0.139) 1.249 1.136 ( -0.859 -0.933 0.495) 1.361 1.402 ( 9.687 -8.937 1.373) 13.251 1.451 ( 1.692 -0.441 -0.313) 1.777 1.650 ( 2.771 6.973 -2.926) 8.054 1.851 ( -5.003 -7.562 7.818) 11.972 1.952 ( 0.221 -5.242 -4.351) 6.816 2.051 ( 0.976 -3.511 -1.520) 3.949 2.101 ( -6.985 -3.587 2.262) 8.171 2.191 ( 1.040 2.397 -1.989) 3.284 2.316 ( -0.157 6.899 -1.219) 7.008 2.355 ( 2.641 -0.797 1.231) 3.021 2.413 ( -2.579 1.799 -0.083) 3.146 2.471 ( 0.892 3.282 0.053) 3.401 2.505 ( 1.909 4.215 2.142) 5.099 2.516 ( 1.723 0.363 -0.559) 1.847 2.679 ( -2.390 4.246 -1.035) 4.981 2.885 ( 2.911 0.288 -1.258) 3.184 3.048 ( -2.460 9.717 -0.259) 10.027 3.129 ( 2.675 -5.755 -0.700) 6.384 3.233 ( 1.647 -0.746 -3.471) 3.914 3.261 ( 1.489 2.092 4.200) 4.923 3.295 ( -1.047 1.380 -0.417) 1.781 3.444 ( 2.238 -0.381 1.649) 2.806 3.688 ( -2.171 -3.299 0.641) 4.001 3.832 ( -0.262 0.026 0.064) 0.271 3.957 ( -3.039 -3.814 -0.171) 4.880 4.024 ( -3.369 -1.581 0.238) 3.729 4.146 ( 2.040 -0.335 -1.987) 2.867 4.195 ( -0.058 -0.563 1.581) 1.680 4.241 ( -0.994 -0.148 0.866) 1.326 4.307 ( 1.622 0.538 -1.297) 2.145 4.416 ( -0.990 0.146 -0.022) 1.001 4.453 ( 1.375 1.672 -0.895) 2.343 4.581 ( -1.174 -0.921 -2.889) 3.251 4.615 ( 0.558 -2.231 3.886) 4.515 4.813 ( -0.141 -1.846 1.038) 2.123 4.888 ( -0.545 3.222 -0.926) 3.396 5.079 ( 0.477 -0.380 -2.412) 2.488 5.206 ( 1.236 2.525 1.662) 3.266 5.309 ( 3.528 1.752 0.601) 3.985 5.434 ( 0.491 0.286 -0.529) 0.776 5.586 ( -2.906 0.799 -0.015) 3.014 5.702 ( -2.102 -2.312 0.626) 3.187 5.828 ( 1.989 -1.886 -0.851) 2.870 5.967 ( -1.321 -0.326 1.423) 1.969 5.979 ( 2.924 -1.145 -4.053) 5.127 6.112 ( -3.524 0.587 4.490) 5.738 6.168 ( -1.101 0.027 -0.328) 1.149 6.303 ( -0.101 -2.586 -0.912) 2.744 6.498 ( 1.568 -4.149 -0.082) 4.436 6.520 ( -1.636 3.273 -0.098) 3.660 6.815 ( -1.467 -1.944 0.130) 2.439 7.080 ( 0.186 -1.980 0.892) 2.179 7.121 ( 1.063 5.170 -0.554) 5.308 7.244 ( -1.110 2.485 -0.761) 2.826 7.566 ( -3.497 -2.204 0.821) 4.214 7.709 ( 1.640 0.876 -0.463) 1.916 7.855 ( 4.721 2.008 -0.551) 5.160 8.022 ( -1.673 1.323 0.613) 2.219 8.224 ( 1.190 -1.275 1.623) 2.383 8.278 ( -1.038 0.578 -2.315) 2.602 8.321 ( -0.047 1.055 0.877) 1.373 8.435 ( 1.411 -0.579 0.851) 1.746 8.532 ( -0.733 -5.171 0.129) 5.224 8.619 ( 1.291 1.778 -1.341) 2.575 8.735 ( -2.476 3.137 -0.979) 4.114 8.788 ( 1.430 0.622 1.073) 1.892 11.838 ( -0.037 -1.023 -0.277) 1.061 11.886 ( -0.018 1.117 0.268) 1.149 11.981 ( 0.635 -0.129 0.739) 0.983 12.013 ( -0.600 0.147 -0.734) 0.960 15.327 ( -0.938 -3.344 -0.832) 3.571 15.412 ( 0.165 3.172 0.894) 3.300 15.606 ( -0.629 -4.240 0.032) 4.287 15.654 ( -0.391 1.635 -0.899) 1.907 15.700 ( 0.825 0.912 0.518) 1.335 15.775 ( 1.406 1.620 0.332) 2.171 16.014 ( 0.033 0.341 0.067) 0.349 16.063 ( 0.556 0.159 -0.102) 0.587 16.252 ( -2.358 -0.187 1.047) 2.587 16.340 ( 2.767 0.078 -0.580) 2.828 16.416 ( 0.417 -1.696 -1.061) 2.044 16.506 ( -2.691 -0.651 0.677) 2.850 ======================= Grid point 12 (9/72) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 0.038 -1.788 -0.028) 1.789 1.109 ( -1.026 3.976 -0.029) 4.107 1.352 ( 1.317 14.819 -1.872) 14.995 1.376 ( 2.271 10.911 0.996) 11.190 1.662 ( 1.283 -6.369 0.549) 6.520 1.883 ( -2.472 4.021 2.042) 5.143 1.990 ( -4.838 2.328 -0.425) 5.386 2.076 ( 4.101 4.167 -3.386) 6.756 2.152 ( 2.528 0.970 1.009) 2.889 2.166 ( 3.786 4.778 -1.285) 6.230 2.278 ( -5.982 -1.968 1.031) 6.381 2.325 ( -2.816 -12.840 1.580) 13.240 2.380 ( 0.533 6.239 0.942) 6.333 2.433 ( -2.960 1.066 -1.261) 3.389 2.500 ( 4.352 -0.992 -0.101) 4.465 2.550 ( 3.166 -2.044 3.022) 4.830 2.638 ( -2.762 -1.561 -0.655) 3.239 2.726 ( -7.308 6.508 -2.698) 10.151 2.934 ( 1.996 -1.754 -0.895) 2.804 3.086 ( -0.583 4.389 -0.855) 4.509 3.240 ( -1.859 3.439 3.184) 5.041 3.292 ( 2.213 1.246 1.865) 3.151 3.339 ( -0.492 -7.723 -3.109) 8.340 3.542 ( 3.865 -1.445 0.295) 4.137 3.781 ( 3.077 -5.765 0.613) 6.563 3.820 ( -0.615 0.412 -0.946) 1.201 3.980 ( -1.957 1.232 -1.034) 2.533 4.011 ( -2.308 -2.383 0.232) 3.326 4.151 ( 0.136 0.030 -0.234) 0.272 4.225 ( 1.371 -1.870 0.972) 2.514 4.261 ( 0.938 -0.395 -0.156) 1.029 4.321 ( 1.379 0.205 -0.481) 1.475 4.391 ( -2.345 0.206 0.253) 2.368 4.401 ( -0.132 3.594 0.455) 3.625 4.581 ( -0.593 -0.335 -1.470) 1.620 4.668 ( 2.917 -0.631 3.526) 4.619 4.801 ( -1.923 4.246 -1.252) 4.827 4.870 ( -0.384 -4.680 -0.249) 4.702 5.095 ( 0.607 -1.013 -0.056) 1.182 5.163 ( -0.500 2.354 -0.357) 2.433 5.287 ( 1.198 3.201 0.219) 3.425 5.412 ( -0.829 1.302 0.612) 1.660 5.574 ( -0.605 -1.776 0.739) 2.016 5.705 ( -1.421 0.306 -1.679) 2.221 5.933 ( 4.579 -4.390 2.073) 6.674 5.971 ( 1.215 -0.586 0.171) 1.360 5.992 ( 1.283 1.251 -4.936) 5.251 6.065 ( -4.973 -0.005 3.462) 6.059 6.198 ( 0.267 -3.195 -0.773) 3.298 6.357 ( 1.424 -1.603 0.242) 2.158 6.421 ( -1.467 5.512 -0.411) 5.719 6.570 ( 0.407 -2.789 -0.068) 2.820 6.876 ( 0.613 -4.482 0.281) 4.532 7.043 ( 0.411 2.102 -0.621) 2.230 7.154 ( 1.009 -3.591 -0.366) 3.748 7.209 ( -2.203 -0.663 0.887) 2.466 7.594 ( -1.875 -3.236 0.366) 3.758 7.721 ( 1.684 -0.697 -0.452) 1.878 7.846 ( 3.487 3.286 0.747) 4.850 7.965 ( -3.254 1.753 -0.429) 3.721 8.191 ( -0.280 3.273 -0.223) 3.292 8.298 ( -0.240 1.092 -1.024) 1.516 8.324 ( 0.652 -3.176 0.242) 3.251 8.454 ( 1.077 -0.003 1.229) 1.634 8.557 ( -0.156 3.641 -0.425) 3.669 8.578 ( -0.142 2.691 0.737) 2.793 8.694 ( -1.969 -2.914 -1.025) 3.663 8.803 ( 0.600 -0.710 0.400) 1.012 11.855 ( 0.738 0.138 0.596) 0.959 11.871 ( -0.738 -0.384 -0.583) 1.015 11.956 ( -0.289 1.823 -0.229) 1.860 12.036 ( 0.261 -1.690 0.224) 1.725 15.359 ( 0.283 2.836 0.497) 2.894 15.386 ( -0.527 -3.872 -0.748) 3.979 15.609 ( -0.167 2.674 -0.023) 2.679 15.648 ( -0.740 -1.011 -0.188) 1.267 15.710 ( 1.122 -0.892 0.686) 1.589 15.759 ( 0.161 1.017 -0.064) 1.032 16.009 ( -0.107 0.099 0.066) 0.160 16.088 ( 1.408 -1.710 0.286) 2.234 16.228 ( -2.212 0.558 -0.618) 2.364 16.343 ( 2.462 2.050 -3.155) 4.496 16.381 ( -1.903 2.049 3.498) 4.479 16.594 ( 1.173 -6.661 -0.269) 6.768 ======================= Grid point 13 (10/72) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( -0.000 18.863 -0.000) 18.863 0.977 ( -0.000 22.780 -0.000) 22.780 1.125 ( 0.000 -1.998 0.000) 1.998 1.285 ( -0.000 1.709 -0.000) 1.709 1.509 ( -0.000 32.795 -0.000) 32.795 1.712 ( -0.000 2.213 -0.000) 2.213 1.849 ( -0.000 7.394 -0.000) 7.394 2.025 ( -0.000 4.006 -0.000) 4.006 2.088 ( -0.000 2.000 -0.000) 2.000 2.205 ( 0.000 -3.423 0.000) 3.423 2.246 ( 0.000 -0.092 0.000) 0.092 2.324 ( 0.000 -5.386 0.000) 5.386 2.476 ( 0.000 -4.050 0.000) 4.050 2.534 ( 0.000 -0.168 0.000) 0.168 2.582 ( 0.000 -9.330 0.000) 9.330 2.607 ( 0.000 -0.405 0.000) 0.405 2.633 ( 0.000 -6.120 0.000) 6.120 2.815 ( 0.000 -10.275 0.000) 10.275 2.984 ( 0.000 -2.646 0.000) 2.646 3.054 ( 0.000 -1.827 0.000) 1.827 3.166 ( -0.000 3.184 -0.000) 3.184 3.237 ( -0.000 3.811 -0.000) 3.811 3.486 ( 0.000 -7.209 0.000) 7.209 3.523 ( -0.000 3.976 -0.000) 3.976 3.753 ( -0.000 4.572 -0.000) 4.572 3.904 ( -0.000 3.857 -0.000) 3.857 3.944 ( 0.000 -6.469 0.000) 6.469 4.052 ( 0.000 -1.481 0.000) 1.481 4.159 ( 0.000 -0.968 0.000) 0.968 4.228 ( -0.000 3.577 -0.000) 3.577 4.231 ( -0.000 3.693 -0.000) 3.693 4.333 ( 0.000 -1.936 0.000) 1.936 4.338 ( -0.000 2.569 -0.000) 2.569 4.397 ( 0.000 -0.800 0.000) 0.800 4.586 ( 0.000 -1.059 0.000) 1.059 4.692 ( -0.000 0.790 -0.000) 0.790 4.715 ( -0.000 2.268 -0.000) 2.268 4.966 ( 0.000 -4.575 0.000) 4.575 5.123 ( -0.000 0.890 -0.000) 0.890 5.129 ( 0.000 -2.057 0.000) 2.057 5.224 ( -0.000 3.573 -0.000) 3.573 5.403 ( 0.000 -0.970 0.000) 0.970 5.612 ( 0.000 -1.510 0.000) 1.510 5.665 ( -0.000 2.741 -0.000) 2.741 5.938 ( -0.000 3.427 -0.000) 3.427 6.001 ( 0.000 -0.526 0.000) 0.526 6.023 ( 0.000 -3.067 0.000) 3.067 6.104 ( 0.000 -6.262 0.000) 6.262 6.245 ( -0.000 0.753 -0.000) 0.753 6.307 ( -0.000 3.142 -0.000) 3.142 6.355 ( -0.000 2.893 -0.000) 2.893 6.639 ( 0.000 -4.469 0.000) 4.469 6.968 ( 0.000 -4.058 0.000) 4.058 7.037 ( 0.000 -1.788 0.000) 1.788 7.221 ( 0.000 -2.238 0.000) 2.238 7.238 ( 0.000 -3.660 0.000) 3.660 7.634 ( 0.000 -1.041 0.000) 1.041 7.756 ( 0.000 -1.282 0.000) 1.282 7.796 ( -0.000 2.442 -0.000) 2.442 7.940 ( 0.000 -1.484 0.000) 1.484 8.121 ( -0.000 4.112 -0.000) 4.112 8.279 ( -0.000 0.547 -0.000) 0.547 8.367 ( 0.000 -0.664 0.000) 0.664 8.432 ( -0.000 3.426 -0.000) 3.426 8.481 ( -0.000 3.943 -0.000) 3.943 8.524 ( -0.000 1.329 -0.000) 1.329 8.757 ( 0.000 -3.709 0.000) 3.709 8.819 ( 0.000 -0.703 0.000) 0.703 11.844 ( -0.000 0.797 -0.000) 0.797 11.888 ( 0.000 -1.141 0.000) 1.141 11.923 ( -0.000 1.448 -0.000) 1.448 12.068 ( 0.000 -1.457 0.000) 1.457 15.314 ( -0.000 2.265 -0.000) 2.265 15.454 ( 0.000 -3.587 0.000) 3.587 15.558 ( -0.000 2.707 -0.000) 2.707 15.656 ( 0.000 -0.804 0.000) 0.804 15.732 ( 0.000 -0.423 0.000) 0.423 15.742 ( -0.000 0.561 -0.000) 0.561 16.008 ( -0.000 0.064 -0.000) 0.064 16.139 ( 0.000 -2.378 0.000) 2.378 16.196 ( -0.000 1.290 -0.000) 1.290 16.304 ( -0.000 2.506 -0.000) 2.506 16.344 ( -0.000 1.709 -0.000) 1.709 16.729 ( 0.000 -6.788 0.000) 6.788 ======================= Grid point 16 (11/72) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( 17.585 -0.000 -4.566) 18.169 0.917 ( 21.379 -0.000 0.063) 21.379 1.096 ( -2.338 0.000 -0.991) 2.539 1.224 ( -2.586 0.000 -0.188) 2.592 1.482 ( 26.461 -0.000 -1.088) 26.484 1.615 ( 4.419 -0.000 7.456) 8.667 1.918 ( 1.370 -0.000 -0.884) 1.631 1.920 ( -0.222 0.000 4.551) 4.556 2.000 ( 3.001 -0.000 -2.863) 4.148 2.174 ( -1.428 0.000 -5.065) 5.262 2.270 ( -7.761 0.000 -0.163) 7.762 2.355 ( 2.964 -0.000 2.621) 3.957 2.561 ( -2.711 0.000 0.138) 2.714 2.565 ( -2.082 0.000 0.921) 2.277 2.604 ( -2.010 0.000 -2.896) 3.525 2.751 ( -4.003 0.000 0.448) 4.028 2.825 ( 3.771 -0.000 0.592) 3.817 3.019 ( -0.391 0.000 2.034) 2.071 3.089 ( 0.409 -0.000 -0.491) 0.639 3.113 ( 0.660 -0.000 0.085) 0.665 3.139 ( 3.326 -0.000 2.091) 3.928 3.248 ( -1.325 0.000 -1.715) 2.168 3.419 ( -1.466 0.000 -4.218) 4.465 3.554 ( -2.471 0.000 1.562) 2.923 3.624 ( -1.323 0.000 2.063) 2.451 3.869 ( 0.872 -0.000 2.040) 2.218 3.870 ( -2.598 0.000 2.377) 3.521 4.052 ( 0.043 -0.000 -0.259) 0.263 4.096 ( -1.836 0.000 0.929) 2.058 4.153 ( -2.119 0.000 -0.875) 2.293 4.186 ( 5.313 -0.000 1.288) 5.467 4.326 ( 2.395 -0.000 -3.476) 4.221 4.359 ( -0.878 0.000 -2.014) 2.197 4.516 ( 0.724 -0.000 -1.873) 2.008 4.554 ( 0.180 -0.000 3.937) 3.941 4.613 ( -4.576 0.000 1.130) 4.714 4.760 ( -1.795 0.000 -2.989) 3.487 4.877 ( -0.530 0.000 0.776) 0.939 5.096 ( 0.048 -0.000 -3.812) 3.812 5.266 ( 5.225 -0.000 -0.975) 5.316 5.318 ( 6.072 -0.000 -0.959) 6.147 5.399 ( 0.281 -0.000 -2.995) 3.008 5.537 ( 0.198 -0.000 2.411) 2.419 5.614 ( 0.053 -0.000 0.392) 0.396 5.823 ( -3.851 0.000 3.954) 5.519 5.958 ( -1.073 0.000 -0.616) 1.237 6.035 ( -6.118 0.000 -2.250) 6.519 6.094 ( -4.656 0.000 -1.814) 4.997 6.173 ( -0.688 0.000 2.627) 2.716 6.202 ( -1.908 0.000 -1.791) 2.617 6.357 ( 2.341 -0.000 4.012) 4.645 6.761 ( -1.264 0.000 -0.632) 1.413 6.881 ( -4.479 0.000 0.347) 4.492 6.951 ( -5.195 0.000 1.617) 5.441 7.350 ( -3.142 0.000 0.417) 3.170 7.497 ( 2.316 -0.000 5.214) 5.705 7.557 ( 4.146 -0.000 -1.690) 4.477 7.618 ( 9.271 -0.000 -1.052) 9.330 7.937 ( -7.275 0.000 1.308) 7.391 7.971 ( 0.128 -0.000 4.764) 4.766 8.200 ( 1.470 -0.000 -1.565) 2.147 8.304 ( 2.125 -0.000 -7.358) 7.659 8.371 ( -2.349 0.000 -3.461) 4.183 8.383 ( -0.937 0.000 1.022) 1.387 8.408 ( 0.280 -0.000 1.430) 1.457 8.543 ( 2.643 -0.000 -0.391) 2.671 8.854 ( 0.572 -0.000 0.667) 0.879 8.894 ( 2.270 -0.000 -0.081) 2.271 11.808 ( -0.664 0.000 -1.067) 1.257 11.920 ( 1.008 -0.000 0.982) 1.407 11.938 ( 0.729 -0.000 0.848) 1.118 12.055 ( -1.120 0.000 -0.932) 1.457 15.274 ( 0.283 -0.000 0.372) 0.467 15.289 ( -0.833 0.000 -0.941) 1.257 15.530 ( -1.138 0.000 2.150) 2.432 15.692 ( -0.528 0.000 -0.178) 0.557 15.740 ( 0.258 -0.000 -0.385) 0.463 15.970 ( 1.390 -0.000 -0.266) 1.416 16.032 ( 1.371 -0.000 0.335) 1.411 16.116 ( 0.666 -0.000 -7.271) 7.302 16.205 ( 0.763 -0.000 -2.685) 2.791 16.218 ( 2.636 -0.000 1.180) 2.888 16.254 ( -1.913 0.000 8.807) 9.012 16.646 ( -5.698 0.000 0.157) 5.700 ======================= Grid point 17 (12/72) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 12.417 -10.714 -0.738) 16.417 1.056 ( -0.666 -0.304 -0.610) 0.953 1.104 ( 15.983 -1.050 -1.728) 16.110 1.234 ( 2.079 -3.311 1.230) 4.098 1.548 ( -6.354 -2.695 2.640) 7.389 1.777 ( -3.955 0.574 0.071) 3.997 1.903 ( 3.852 2.760 1.101) 4.866 2.013 ( 10.523 -8.049 0.492) 13.257 2.042 ( 1.806 0.197 1.890) 2.621 2.199 ( 9.614 -2.156 -6.439) 11.770 2.246 ( -3.706 -3.230 -0.114) 4.918 2.353 ( 1.560 2.715 0.477) 3.167 2.483 ( -3.766 2.874 -0.640) 4.781 2.529 ( -3.067 1.125 1.115) 3.452 2.634 ( -0.909 -2.982 1.974) 3.689 2.660 ( -2.431 4.033 -1.035) 4.822 2.881 ( 4.416 -1.118 1.085) 4.683 2.958 ( -1.057 6.468 0.224) 6.557 3.074 ( 0.194 3.840 1.771) 4.234 3.122 ( 1.868 -0.414 -1.272) 2.297 3.162 ( 1.077 -0.838 2.577) 2.916 3.215 ( 1.596 0.362 -2.791) 3.236 3.437 ( -2.935 -3.572 -3.089) 5.560 3.543 ( -1.560 2.463 3.168) 4.305 3.570 ( -5.277 -0.412 0.733) 5.344 3.832 ( 0.072 0.734 1.274) 1.472 3.898 ( 0.161 0.215 1.526) 1.549 4.050 ( -3.853 4.505 -1.330) 6.075 4.079 ( 0.542 -2.232 0.315) 2.319 4.142 ( -1.493 -3.554 -0.079) 3.856 4.259 ( 3.105 -0.745 2.061) 3.800 4.305 ( 0.100 -0.138 -3.165) 3.170 4.406 ( 0.881 -0.828 0.395) 1.271 4.487 ( 0.629 -0.451 -0.677) 1.028 4.505 ( 0.882 2.333 -1.619) 2.974 4.630 ( -2.854 0.448 -2.022) 3.527 4.778 ( 1.207 -2.806 3.772) 4.853 4.880 ( -2.485 -1.654 -1.383) 3.290 5.083 ( -0.076 0.743 -3.171) 3.257 5.297 ( 4.026 1.571 0.231) 4.328 5.364 ( 5.743 1.170 1.023) 5.950 5.410 ( -0.033 -1.306 -2.869) 3.152 5.557 ( 3.419 -0.965 1.504) 3.858 5.639 ( -3.443 -1.993 1.313) 4.189 5.795 ( -4.027 -1.018 0.649) 4.204 5.940 ( 0.158 0.678 -0.499) 0.856 5.960 ( -4.331 0.876 -1.179) 4.573 6.075 ( -6.295 -2.634 -0.631) 6.853 6.179 ( -1.353 -0.543 0.292) 1.487 6.215 ( 0.883 -2.272 0.565) 2.502 6.377 ( 1.524 -0.177 2.319) 2.781 6.671 ( -1.403 5.475 -0.848) 5.715 6.874 ( -2.700 3.380 0.895) 4.418 6.924 ( -2.466 -5.186 0.592) 5.773 7.324 ( -1.129 0.926 -0.745) 1.639 7.435 ( 0.827 6.759 0.739) 6.850 7.562 ( 2.778 2.859 1.533) 4.271 7.737 ( 4.850 -1.556 -0.570) 5.125 7.868 ( -1.194 -0.044 -1.304) 1.769 7.999 ( -2.191 -2.784 5.051) 6.170 8.255 ( 0.541 0.970 -2.186) 2.452 8.257 ( 0.400 -0.893 -1.991) 2.218 8.343 ( -0.961 0.664 -0.476) 1.261 8.369 ( -0.575 0.362 1.297) 1.464 8.433 ( 1.152 -1.090 -1.837) 2.427 8.584 ( 1.671 -1.998 -0.537) 2.660 8.845 ( 0.630 1.472 0.459) 1.666 8.881 ( 1.264 3.081 -0.015) 3.330 11.806 ( -0.436 -0.514 -0.706) 0.976 11.932 ( 0.587 0.805 0.999) 1.411 11.941 ( 0.849 -0.598 0.531) 1.167 12.042 ( -1.054 0.251 -0.906) 1.413 15.250 ( -0.500 -0.140 -0.563) 0.765 15.376 ( -0.510 -6.513 0.113) 6.534 15.510 ( -0.910 1.318 1.089) 1.937 15.688 ( -0.375 0.108 -0.353) 0.527 15.735 ( 0.325 0.747 -0.243) 0.851 15.909 ( 2.404 5.588 -0.278) 6.090 16.035 ( 0.862 0.663 0.183) 1.103 16.114 ( 0.174 1.442 -1.458) 2.058 16.218 ( 0.078 -2.038 -1.221) 2.377 16.247 ( -0.874 -1.886 2.332) 3.124 16.310 ( 2.020 -3.502 0.927) 4.147 16.580 ( -5.399 1.706 0.084) 5.663 ======================= Grid point 18 (13/72) ======================= q-point: ( 0.57 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( -1.204 0.225 -0.100) 1.229 1.108 ( 1.010 -1.617 0.750) 2.049 1.359 ( 12.038 -9.225 -2.181) 15.322 1.426 ( 10.802 -6.043 -0.435) 12.385 1.566 ( -6.768 -7.794 6.026) 11.952 1.716 ( -10.295 -5.754 -2.512) 12.059 1.898 ( 4.592 2.700 1.518) 5.539 2.011 ( -3.295 0.029 -2.207) 3.966 2.058 ( -4.054 3.199 1.379) 5.345 2.262 ( 2.603 3.415 -2.115) 4.786 2.331 ( 4.443 -1.891 -0.546) 4.860 2.406 ( 1.221 -1.407 0.310) 1.889 2.432 ( 3.789 0.190 -1.063) 3.940 2.481 ( -2.334 0.447 -0.400) 2.410 2.545 ( -3.270 4.044 0.896) 5.277 2.659 ( 0.988 3.969 2.195) 4.642 2.796 ( -0.877 9.097 -0.946) 9.188 2.919 ( 2.307 0.906 0.497) 2.528 3.037 ( 0.573 -2.326 -1.049) 2.615 3.155 ( 1.476 1.319 -0.551) 2.054 3.214 ( 4.349 -3.734 -0.662) 5.770 3.271 ( 4.619 -2.419 1.684) 5.479 3.420 ( -6.758 -0.179 0.661) 6.792 3.433 ( -0.889 8.354 0.133) 8.402 3.585 ( -3.210 -4.363 0.345) 5.427 3.843 ( -0.328 0.498 1.959) 2.048 3.881 ( 1.244 -0.634 -2.077) 2.503 3.952 ( -5.145 -0.073 0.882) 5.221 4.132 ( 1.197 -3.060 -1.282) 3.527 4.182 ( -0.235 -1.344 0.058) 1.366 4.252 ( -0.275 1.857 1.462) 2.379 4.333 ( 2.391 0.677 -0.430) 2.522 4.398 ( -2.461 -0.412 -0.371) 2.523 4.485 ( 1.409 -0.239 -1.431) 2.023 4.547 ( 1.621 -2.103 -0.992) 2.834 4.585 ( -2.058 0.368 0.429) 2.134 4.810 ( 0.862 0.607 1.983) 2.246 4.902 ( -1.180 -1.468 -0.807) 2.049 5.073 ( 0.159 -0.238 -1.769) 1.792 5.277 ( 1.455 3.229 0.998) 3.679 5.392 ( 5.843 1.944 0.968) 6.233 5.430 ( 0.177 -1.087 -1.566) 1.914 5.567 ( -5.212 1.143 -0.178) 5.339 5.657 ( 2.531 -2.162 2.637) 4.246 5.782 ( -3.706 -2.134 -2.602) 5.006 5.945 ( -0.734 -0.644 1.646) 1.914 5.971 ( 3.632 -2.595 -3.076) 5.421 6.066 ( -5.407 -1.856 2.463) 6.224 6.166 ( -1.172 0.638 0.023) 1.334 6.262 ( 0.400 -1.620 0.016) 1.669 6.424 ( 0.871 -3.982 0.468) 4.103 6.573 ( -0.751 3.875 -0.490) 3.977 6.804 ( -0.975 1.917 0.268) 2.167 6.999 ( -1.127 -4.546 0.402) 4.701 7.274 ( 1.948 6.059 0.053) 6.365 7.305 ( -1.271 5.630 -0.829) 5.831 7.526 ( -0.866 0.980 0.777) 1.521 7.738 ( 0.150 1.310 0.200) 1.334 7.921 ( 5.651 -0.417 -2.700) 6.277 8.015 ( -3.654 -0.769 3.252) 4.952 8.211 ( 0.996 0.307 -0.237) 1.069 8.285 ( -1.316 0.611 -1.580) 2.145 8.342 ( -0.056 0.769 1.706) 1.872 8.402 ( 0.511 -5.263 1.393) 5.468 8.453 ( 0.323 -0.730 -2.166) 2.308 8.629 ( 0.745 -1.362 -0.513) 1.635 8.804 ( 0.165 4.919 -0.282) 4.930 8.822 ( 0.182 1.952 0.484) 2.019 11.817 ( -0.156 -0.998 -0.288) 1.050 11.912 ( 0.140 1.453 0.296) 1.490 11.970 ( 0.728 -1.427 0.710) 1.752 12.021 ( -0.729 1.062 -0.735) 1.483 15.267 ( -0.497 -2.162 -0.414) 2.257 15.465 ( 0.053 2.026 1.009) 2.264 15.500 ( -0.679 -6.048 -0.484) 6.105 15.676 ( -0.068 0.892 -0.447) 1.000 15.721 ( 0.162 0.973 0.098) 0.991 15.839 ( 1.423 3.747 0.196) 4.013 16.026 ( 0.204 0.813 0.072) 0.842 16.083 ( 0.237 1.549 -0.252) 1.587 16.233 ( -0.973 -0.452 0.951) 1.434 16.314 ( 0.256 -4.361 -0.075) 4.369 16.386 ( 2.773 -2.547 -0.992) 3.894 16.495 ( -4.143 2.550 0.505) 4.891 ======================= Grid point 19 (14/72) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 0.000 -1.298 0.000) 1.298 1.128 ( 0.000 -0.432 0.000) 0.432 1.464 ( -0.000 3.176 -0.000) 3.176 1.530 ( 0.000 -6.392 0.000) 6.392 1.694 ( -0.000 12.519 -0.000) 12.519 1.813 ( 0.000 -12.566 0.000) 12.566 1.910 ( 0.000 -7.523 0.000) 7.523 2.020 ( 0.000 -8.462 0.000) 8.462 2.065 ( 0.000 -3.549 0.000) 3.549 2.206 ( -0.000 3.572 -0.000) 3.572 2.322 ( -0.000 6.281 -0.000) 6.281 2.358 ( -0.000 6.202 -0.000) 6.202 2.396 ( -0.000 1.594 -0.000) 1.594 2.481 ( -0.000 0.032 -0.000) 0.032 2.510 ( 0.000 -0.115 0.000) 0.115 2.570 ( -0.000 2.597 -0.000) 2.597 2.630 ( -0.000 7.039 -0.000) 7.039 2.924 ( 0.000 -0.438 0.000) 0.438 2.999 ( -0.000 16.784 -0.000) 16.784 3.160 ( 0.000 -8.988 0.000) 8.988 3.203 ( -0.000 8.388 -0.000) 8.388 3.279 ( -0.000 1.870 -0.000) 1.870 3.333 ( -0.000 0.265 -0.000) 0.265 3.486 ( 0.000 -7.357 0.000) 7.357 3.665 ( 0.000 -5.818 0.000) 5.818 3.829 ( -0.000 0.226 -0.000) 0.226 3.927 ( 0.000 -3.347 0.000) 3.347 3.969 ( 0.000 -2.369 0.000) 2.369 4.187 ( -0.000 3.257 -0.000) 3.257 4.200 ( 0.000 -0.968 0.000) 0.968 4.212 ( 0.000 -4.081 0.000) 4.081 4.343 ( -0.000 0.168 -0.000) 0.168 4.379 ( -0.000 0.426 -0.000) 0.426 4.472 ( -0.000 3.116 -0.000) 3.116 4.565 ( 0.000 -0.992 0.000) 0.992 4.629 ( 0.000 -3.877 0.000) 3.877 4.815 ( 0.000 -1.143 0.000) 1.143 4.874 ( -0.000 3.553 -0.000) 3.553 5.085 ( 0.000 -0.631 0.000) 0.631 5.218 ( -0.000 3.511 -0.000) 3.511 5.367 ( -0.000 3.885 -0.000) 3.885 5.436 ( -0.000 1.035 -0.000) 1.035 5.532 ( 0.000 -1.333 0.000) 1.333 5.691 ( 0.000 -0.782 0.000) 0.782 5.848 ( 0.000 -5.786 0.000) 5.786 5.955 ( 0.000 -0.733 0.000) 0.733 6.039 ( -0.000 0.991 -0.000) 0.991 6.047 ( 0.000 -1.026 0.000) 1.026 6.152 ( 0.000 -0.712 0.000) 0.712 6.304 ( 0.000 -3.242 0.000) 3.242 6.502 ( -0.000 3.854 -0.000) 3.854 6.514 ( 0.000 -4.195 0.000) 4.195 6.802 ( 0.000 -2.343 0.000) 2.343 7.076 ( 0.000 -4.419 0.000) 4.419 7.142 ( -0.000 7.103 -0.000) 7.103 7.226 ( -0.000 3.053 -0.000) 3.053 7.533 ( 0.000 -2.137 0.000) 2.137 7.722 ( -0.000 0.397 -0.000) 0.397 7.930 ( -0.000 2.583 -0.000) 2.583 7.979 ( -0.000 1.733 -0.000) 1.733 8.245 ( -0.000 2.517 -0.000) 2.517 8.258 ( 0.000 -3.782 0.000) 3.782 8.320 ( -0.000 1.367 -0.000) 1.367 8.457 ( 0.000 -0.258 0.000) 0.258 8.524 ( 0.000 -5.837 0.000) 5.837 8.632 ( -0.000 1.568 -0.000) 1.568 8.703 ( -0.000 4.911 -0.000) 4.911 8.802 ( -0.000 0.432 -0.000) 0.432 11.838 ( 0.000 -1.336 0.000) 1.336 11.886 ( -0.000 1.412 -0.000) 1.412 11.989 ( -0.000 1.801 -0.000) 1.801 12.005 ( 0.000 -1.757 0.000) 1.757 15.316 ( 0.000 -3.338 0.000) 3.338 15.414 ( -0.000 2.964 -0.000) 2.964 15.599 ( 0.000 -4.190 0.000) 4.190 15.650 ( -0.000 1.869 -0.000) 1.869 15.707 ( -0.000 0.356 -0.000) 0.356 15.792 ( -0.000 2.233 -0.000) 2.233 16.014 ( -0.000 0.480 -0.000) 0.480 16.071 ( 0.000 -0.349 0.000) 0.349 16.229 ( -0.000 0.385 -0.000) 0.385 16.373 ( 0.000 -1.229 0.000) 1.229 16.413 ( -0.000 3.219 -0.000) 3.219 16.479 ( 0.000 -5.674 0.000) 5.674 ======================= Grid point 24 (15/72) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 12.356 -0.000 -2.705) 12.649 1.043 ( -1.133 0.000 -0.169) 1.145 1.156 ( -5.047 0.000 0.680) 5.092 1.258 ( 12.552 -0.000 -0.656) 12.569 1.477 ( -4.390 0.000 1.163) 4.541 1.780 ( -8.356 0.000 0.610) 8.378 1.965 ( 3.432 -0.000 -0.105) 3.434 2.046 ( 11.379 -0.000 1.747) 11.513 2.061 ( -0.437 0.000 3.148) 3.178 2.199 ( 8.080 -0.000 -0.893) 8.130 2.264 ( 10.923 -0.000 -6.856) 12.897 2.404 ( 1.366 -0.000 1.183) 1.807 2.462 ( -7.827 0.000 1.215) 7.921 2.475 ( -8.102 0.000 0.190) 8.104 2.584 ( -1.558 0.000 1.265) 2.007 2.668 ( -3.501 0.000 -1.008) 3.643 2.890 ( 2.184 -0.000 1.281) 2.532 3.016 ( -0.273 0.000 0.505) 0.574 3.092 ( 0.032 -0.000 -0.251) 0.253 3.134 ( 1.326 -0.000 1.749) 2.195 3.203 ( 2.566 -0.000 2.708) 3.731 3.216 ( -1.473 0.000 -2.162) 2.616 3.350 ( -3.643 0.000 -4.375) 5.693 3.494 ( -2.692 0.000 1.099) 2.908 3.611 ( -0.520 0.000 0.755) 0.917 3.862 ( 0.266 -0.000 1.129) 1.160 3.926 ( 4.759 -0.000 3.724) 6.042 4.047 ( -0.232 0.000 -0.827) 0.858 4.055 ( -6.799 0.000 -3.631) 7.708 4.073 ( -0.721 0.000 0.095) 0.727 4.276 ( 3.284 -0.000 0.757) 3.370 4.360 ( 1.484 -0.000 -0.425) 1.544 4.367 ( 1.036 -0.000 -0.471) 1.138 4.490 ( -1.035 0.000 -0.444) 1.126 4.544 ( -2.579 0.000 0.182) 2.585 4.609 ( 2.186 -0.000 1.400) 2.596 4.723 ( -1.247 0.000 -1.253) 1.767 4.861 ( -0.782 0.000 -0.640) 1.010 5.088 ( -0.040 0.000 -1.669) 1.669 5.342 ( 2.299 -0.000 -1.347) 2.665 5.383 ( -0.519 0.000 -0.222) 0.565 5.445 ( 6.873 -0.000 1.545) 7.045 5.586 ( -3.439 0.000 -0.531) 3.480 5.600 ( 5.812 -0.000 1.490) 6.000 5.729 ( -6.961 0.000 0.145) 6.962 5.932 ( -2.431 0.000 3.880) 4.578 5.958 ( -0.503 0.000 -3.927) 3.960 5.985 ( -4.145 0.000 -1.764) 4.505 6.168 ( -0.337 0.000 0.815) 0.882 6.196 ( 0.311 -0.000 -0.218) 0.380 6.394 ( 0.821 -0.000 1.684) 1.873 6.744 ( -0.430 0.000 -0.309) 0.530 6.827 ( -1.495 0.000 0.052) 1.496 6.889 ( -1.834 0.000 0.567) 1.919 7.310 ( -1.170 0.000 0.088) 1.173 7.514 ( 0.066 -0.000 0.687) 0.690 7.652 ( 4.660 -0.000 0.379) 4.676 7.784 ( 8.938 -0.000 -1.723) 9.102 7.819 ( -5.189 0.000 0.434) 5.207 7.925 ( -6.050 0.000 3.616) 7.049 8.219 ( 0.881 -0.000 -1.052) 1.372 8.322 ( 1.103 -0.000 -2.965) 3.163 8.341 ( -0.518 0.000 -0.741) 0.904 8.370 ( -0.692 0.000 1.068) 1.273 8.415 ( 0.172 -0.000 0.070) 0.185 8.575 ( 0.925 -0.000 -0.192) 0.945 8.862 ( 0.170 -0.000 0.264) 0.313 8.925 ( 0.962 -0.000 -0.019) 0.962 11.797 ( -0.238 0.000 -0.398) 0.464 11.939 ( 0.609 -0.000 0.601) 0.855 11.949 ( 0.265 -0.000 0.320) 0.415 12.035 ( -0.658 0.000 -0.578) 0.875 15.276 ( -0.363 0.000 -0.398) 0.538 15.279 ( 0.166 -0.000 0.178) 0.243 15.517 ( -0.525 0.000 0.619) 0.812 15.685 ( -0.212 0.000 -0.092) 0.231 15.744 ( 0.127 -0.000 -0.164) 0.207 15.989 ( 0.605 -0.000 -0.037) 0.606 16.052 ( 0.613 -0.000 0.065) 0.617 16.112 ( 0.205 -0.000 -2.188) 2.198 16.210 ( 0.411 -0.000 -1.634) 1.685 16.244 ( -0.845 0.000 3.481) 3.582 16.267 ( 1.886 -0.000 0.623) 1.986 16.557 ( -3.268 0.000 -0.044) 3.268 ======================= Grid point 25 (16/72) ======================= q-point: ( 0.57 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( -0.000 0.616 -0.000) 0.616 1.109 ( -0.000 0.612 -0.000) 0.612 1.141 ( 0.000 -13.227 0.000) 13.227 1.416 ( 0.000 -8.753 0.000) 8.753 1.471 ( 0.000 -1.935 0.000) 1.935 1.629 ( -0.000 8.212 -0.000) 8.212 1.976 ( -0.000 0.926 -0.000) 0.926 2.009 ( -0.000 2.878 -0.000) 2.878 2.089 ( -0.000 0.949 -0.000) 0.949 2.348 ( -0.000 4.155 -0.000) 4.155 2.355 ( 0.000 -2.273 0.000) 2.273 2.382 ( -0.000 1.593 -0.000) 1.593 2.386 ( 0.000 -6.737 0.000) 6.737 2.457 ( 0.000 -2.489 0.000) 2.489 2.576 ( -0.000 2.127 -0.000) 2.127 2.653 ( 0.000 -2.162 0.000) 2.162 2.934 ( 0.000 -1.822 0.000) 1.822 2.946 ( -0.000 6.718 -0.000) 6.718 3.082 ( -0.000 5.083 -0.000) 5.083 3.132 ( 0.000 -3.215 0.000) 3.215 3.189 ( 0.000 -0.196 0.000) 0.196 3.237 ( 0.000 -2.352 0.000) 2.352 3.376 ( 0.000 -2.225 0.000) 2.225 3.502 ( 0.000 -2.420 0.000) 2.420 3.543 ( -0.000 5.398 -0.000) 5.398 3.856 ( -0.000 0.684 -0.000) 0.684 3.919 ( -0.000 2.993 -0.000) 2.993 3.970 ( -0.000 3.184 -0.000) 3.184 4.085 ( 0.000 -2.383 0.000) 2.383 4.128 ( 0.000 -4.324 0.000) 4.324 4.283 ( -0.000 3.279 -0.000) 3.279 4.328 ( 0.000 -3.521 0.000) 3.521 4.405 ( -0.000 1.703 -0.000) 1.703 4.479 ( -0.000 0.268 -0.000) 0.268 4.531 ( 0.000 -0.964 0.000) 0.964 4.596 ( -0.000 1.650 -0.000) 1.650 4.805 ( 0.000 -6.827 0.000) 6.827 4.842 ( -0.000 1.427 -0.000) 1.427 5.079 ( -0.000 0.728 -0.000) 0.728 5.337 ( -0.000 1.933 -0.000) 1.933 5.393 ( 0.000 -1.591 0.000) 1.591 5.471 ( -0.000 1.700 -0.000) 1.700 5.551 ( -0.000 0.820 -0.000) 0.820 5.668 ( 0.000 -0.802 0.000) 0.802 5.694 ( 0.000 -2.583 0.000) 2.583 5.942 ( 0.000 -2.101 0.000) 2.101 5.942 ( -0.000 0.467 -0.000) 0.467 5.991 ( 0.000 -2.182 0.000) 2.182 6.167 ( -0.000 0.039 -0.000) 0.039 6.225 ( 0.000 -2.533 0.000) 2.533 6.395 ( 0.000 -0.060 0.000) 0.060 6.656 ( -0.000 5.553 -0.000) 5.553 6.850 ( -0.000 2.880 -0.000) 2.880 6.902 ( 0.000 -5.375 0.000) 5.375 7.309 ( 0.000 -0.125 0.000) 0.125 7.443 ( -0.000 6.893 -0.000) 6.893 7.598 ( -0.000 5.879 -0.000) 5.879 7.764 ( -0.000 1.591 -0.000) 1.591 7.918 ( 0.000 -5.059 0.000) 5.059 7.931 ( 0.000 -3.351 0.000) 3.351 8.250 ( 0.000 -2.754 0.000) 2.754 8.266 ( -0.000 4.334 -0.000) 4.334 8.338 ( 0.000 -0.295 0.000) 0.295 8.365 ( -0.000 0.178 -0.000) 0.178 8.442 ( 0.000 -1.275 0.000) 1.275 8.598 ( 0.000 -1.862 0.000) 1.862 8.851 ( -0.000 1.170 -0.000) 1.170 8.893 ( -0.000 3.704 -0.000) 3.704 11.801 ( 0.000 -0.556 0.000) 0.556 11.939 ( -0.000 1.161 -0.000) 1.161 11.951 ( 0.000 -0.932 0.000) 0.932 12.030 ( -0.000 0.268 -0.000) 0.268 15.244 ( -0.000 0.128 -0.000) 0.128 15.372 ( 0.000 -6.443 0.000) 6.443 15.502 ( -0.000 1.363 -0.000) 1.363 15.684 ( -0.000 0.083 -0.000) 0.083 15.738 ( -0.000 0.669 -0.000) 0.669 15.931 ( -0.000 4.977 -0.000) 4.977 16.044 ( -0.000 0.936 -0.000) 0.936 16.113 ( -0.000 1.066 -0.000) 1.066 16.219 ( 0.000 -0.680 0.000) 0.680 16.241 ( 0.000 -2.418 0.000) 2.418 16.337 ( 0.000 -3.952 0.000) 3.952 16.522 ( -0.000 2.006 -0.000) 2.006 ======================= Grid point 51 (17/72) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.395 ( 4.346 -0.000 21.407) 21.843 0.478 ( -3.248 0.000 25.072) 25.281 0.850 ( -7.197 0.000 35.555) 36.276 1.173 ( -0.449 0.000 0.046) 0.451 1.369 ( -1.524 0.000 12.061) 12.157 1.534 ( 1.285 -0.000 -13.588) 13.649 1.552 ( 2.631 -0.000 -7.483) 7.932 2.040 ( -0.845 0.000 -0.840) 1.192 2.100 ( -1.671 0.000 2.066) 2.657 2.269 ( -0.801 0.000 4.282) 4.357 2.469 ( 6.162 -0.000 0.671) 6.199 2.475 ( 0.815 -0.000 -1.235) 1.480 2.499 ( -3.747 0.000 3.139) 4.888 2.555 ( -4.996 0.000 -1.852) 5.328 2.610 ( 0.120 -0.000 6.924) 6.925 2.733 ( 1.152 -0.000 -2.225) 2.505 2.794 ( -2.442 0.000 3.323) 4.123 3.021 ( 0.700 -0.000 -1.286) 1.464 3.031 ( 2.242 -0.000 0.404) 2.279 3.094 ( -1.024 0.000 -0.808) 1.305 3.102 ( -1.447 0.000 -0.039) 1.447 3.236 ( -0.061 0.000 -5.082) 5.082 3.355 ( 1.551 -0.000 -2.476) 2.921 3.458 ( 3.441 -0.000 -19.347) 19.650 3.674 ( -1.030 0.000 7.932) 7.999 3.899 ( 0.800 -0.000 4.859) 4.924 3.961 ( 0.145 -0.000 -0.212) 0.257 4.075 ( 1.300 -0.000 -1.982) 2.370 4.075 ( 0.241 -0.000 2.388) 2.400 4.118 ( 0.809 -0.000 -1.516) 1.718 4.165 ( -4.890 0.000 0.831) 4.960 4.308 ( 0.086 -0.000 0.859) 0.863 4.374 ( -0.954 0.000 -4.589) 4.687 4.493 ( -1.335 0.000 -3.209) 3.475 4.595 ( 1.790 -0.000 -10.278) 10.433 4.701 ( 12.403 -0.000 2.022) 12.566 4.809 ( -0.987 0.000 -1.485) 1.783 4.865 ( -2.348 0.000 10.508) 10.767 4.980 ( -1.161 0.000 -7.317) 7.408 5.185 ( -2.228 0.000 -2.598) 3.423 5.219 ( -5.221 0.000 -1.801) 5.523 5.351 ( 0.268 -0.000 -1.015) 1.050 5.633 ( -1.170 0.000 5.346) 5.472 5.664 ( -1.139 0.000 6.762) 6.857 5.937 ( 4.225 -0.000 3.348) 5.390 6.019 ( -3.189 0.000 3.825) 4.980 6.067 ( 0.627 -0.000 -4.445) 4.489 6.175 ( -1.736 0.000 -2.149) 2.763 6.272 ( -2.203 0.000 -4.562) 5.066 6.331 ( 2.826 -0.000 7.486) 8.001 6.403 ( 0.067 -0.000 -1.297) 1.298 6.711 ( 1.084 -0.000 -4.126) 4.266 7.059 ( 0.528 -0.000 1.709) 1.789 7.128 ( 14.464 -0.000 0.188) 14.465 7.214 ( -2.484 0.000 0.370) 2.512 7.334 ( 1.570 -0.000 -3.321) 3.673 7.489 ( -1.759 0.000 1.616) 2.389 7.538 ( -0.806 0.000 0.314) 0.865 7.907 ( 1.938 -0.000 3.212) 3.752 7.998 ( -0.813 0.000 -0.113) 0.820 8.125 ( -5.167 0.000 -0.474) 5.189 8.169 ( 0.572 -0.000 -0.957) 1.115 8.336 ( -1.365 0.000 -1.164) 1.793 8.418 ( -0.381 0.000 0.880) 0.959 8.558 ( -1.533 0.000 6.104) 6.294 8.777 ( -5.859 0.000 -2.298) 6.293 8.808 ( 1.197 -0.000 -2.206) 2.509 8.812 ( 0.133 -0.000 -2.222) 2.226 11.822 ( -1.000 0.000 -0.319) 1.050 11.882 ( 0.826 -0.000 -1.352) 1.585 11.944 ( 0.455 -0.000 2.993) 3.028 12.077 ( -0.500 0.000 -0.677) 0.842 15.273 ( 0.338 -0.000 0.598) 0.686 15.310 ( -0.834 0.000 -0.398) 0.924 15.660 ( 6.760 -0.000 -0.316) 6.768 15.701 ( 0.009 -0.000 -0.748) 0.748 15.763 ( -0.322 0.000 2.109) 2.133 15.802 ( -5.444 0.000 2.241) 5.887 15.908 ( 0.094 -0.000 -2.407) 2.409 15.983 ( 0.385 -0.000 -1.594) 1.639 16.164 ( 0.963 -0.000 0.371) 1.032 16.191 ( -1.015 0.000 -0.212) 1.037 16.796 ( 0.097 -0.000 2.040) 2.043 16.944 ( -4.649 0.000 -1.599) 4.916 ======================= Grid point 52 (18/72) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( 2.520 -12.275 16.790) 20.951 0.732 ( 12.706 -17.182 12.412) 24.713 1.128 ( 2.566 -13.431 8.916) 16.324 1.151 ( -0.883 -1.521 1.390) 2.241 1.402 ( 0.288 -6.448 17.550) 18.699 1.536 ( 1.842 -1.747 -10.248) 10.558 1.690 ( 7.583 -8.367 -6.988) 13.280 2.028 ( -1.576 0.155 -1.076) 1.914 2.045 ( -4.416 -1.260 5.626) 7.262 2.260 ( -2.598 1.861 0.541) 3.242 2.349 ( -2.823 6.552 1.163) 7.229 2.429 ( 1.646 5.716 -0.571) 5.976 2.495 ( -3.144 0.588 1.531) 3.546 2.565 ( 1.216 -0.490 -0.038) 1.312 2.639 ( -0.001 0.650 4.158) 4.209 2.690 ( 0.587 4.751 -0.331) 4.799 2.759 ( 1.833 2.670 2.173) 3.900 2.963 ( 4.015 6.471 -2.901) 8.149 3.037 ( 0.109 3.424 -0.515) 3.464 3.081 ( -1.446 -0.604 0.477) 1.638 3.153 ( -0.333 -3.929 1.567) 4.243 3.169 ( -0.893 1.873 -2.433) 3.197 3.440 ( 1.072 -3.586 -5.885) 6.975 3.475 ( 3.514 -2.134 -9.053) 9.943 3.709 ( -1.447 -3.284 5.579) 6.634 3.923 ( 0.551 -0.942 6.208) 6.303 3.982 ( -0.687 -2.067 0.222) 2.189 4.071 ( 1.895 1.548 -1.860) 3.074 4.100 ( 0.394 -0.156 -2.634) 2.668 4.139 ( 0.127 -3.704 1.057) 3.854 4.185 ( -1.478 -2.784 -0.563) 3.202 4.299 ( -1.176 0.241 -0.950) 1.530 4.366 ( -1.522 -0.632 -1.514) 2.238 4.468 ( -0.886 0.584 -4.210) 4.341 4.575 ( 3.296 4.102 3.387) 6.258 4.588 ( -3.380 4.762 -2.764) 6.460 4.847 ( -0.416 0.937 6.844) 6.921 4.911 ( 0.801 -0.830 -10.253) 10.318 4.995 ( -0.439 -3.276 -3.696) 4.958 5.143 ( 1.948 0.185 -2.133) 2.895 5.203 ( -0.758 -0.239 -0.850) 1.164 5.367 ( -0.352 -0.753 -2.790) 2.912 5.606 ( -2.443 1.065 5.942) 6.512 5.707 ( 0.938 -2.929 4.431) 5.394 5.939 ( 0.957 2.050 -0.193) 2.271 6.000 ( -2.467 -0.848 4.233) 4.972 6.095 ( -2.734 4.134 -2.470) 5.538 6.138 ( -0.256 -4.748 -0.582) 4.791 6.217 ( -1.080 0.855 -1.143) 1.790 6.341 ( -0.301 1.404 3.036) 3.359 6.372 ( -0.405 0.725 4.679) 4.752 6.670 ( 0.197 4.335 -5.006) 6.625 7.048 ( -3.083 3.290 1.740) 4.833 7.079 ( -3.833 0.598 0.084) 3.880 7.249 ( 5.510 3.576 -0.933) 6.635 7.318 ( 3.888 4.590 -1.399) 6.176 7.566 ( 0.825 -4.039 -4.914) 6.415 7.594 ( -0.457 -5.610 -2.168) 6.031 7.835 ( 0.716 5.290 0.668) 5.380 8.021 ( 1.547 4.493 0.229) 4.757 8.077 ( 2.381 -4.532 2.275) 5.603 8.268 ( -0.124 -4.438 -3.517) 5.665 8.353 ( 0.325 -3.453 1.058) 3.626 8.416 ( -0.718 0.017 1.748) 1.890 8.527 ( -3.367 2.423 7.607) 8.665 8.616 ( -3.454 3.518 6.584) 8.225 8.794 ( 0.754 1.746 -2.198) 2.907 8.820 ( 1.157 0.573 -1.574) 2.036 11.819 ( -0.893 -0.611 -0.316) 1.127 11.897 ( 1.148 -0.841 -1.049) 1.768 11.944 ( 0.476 0.901 2.934) 3.106 12.066 ( -0.819 0.630 -1.396) 1.737 15.274 ( -0.613 -1.207 0.650) 1.502 15.399 ( -0.746 -6.712 -3.035) 7.404 15.618 ( 1.638 6.191 1.682) 6.621 15.695 ( -0.490 0.547 -0.687) 1.006 15.719 ( -2.215 0.661 3.205) 3.951 15.794 ( 2.077 0.918 2.940) 3.715 15.977 ( 1.136 -1.046 -3.647) 3.960 16.012 ( 1.336 -3.598 -5.524) 6.727 16.187 ( 0.713 -1.621 0.012) 1.771 16.205 ( 0.584 -1.973 -0.282) 2.077 16.613 ( -6.587 10.131 11.555) 16.719 16.814 ( -5.787 3.575 0.583) 6.827 ======================= Grid point 53 (19/72) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 5.362 -15.709 5.894) 17.615 1.100 ( -0.814 0.298 -0.207) 0.891 1.123 ( 0.185 -13.322 6.729) 14.926 1.297 ( 1.948 -5.284 4.787) 7.391 1.575 ( 1.424 -3.931 -9.619) 10.489 1.728 ( 7.980 -10.424 4.247) 13.798 1.921 ( 9.291 -7.505 -4.524) 12.771 2.013 ( -0.665 -1.304 -4.906) 5.120 2.100 ( -4.178 -5.645 9.050) 11.455 2.146 ( -5.391 5.432 -0.276) 7.658 2.257 ( -2.213 -1.823 0.095) 2.869 2.342 ( 1.731 4.171 -1.202) 4.673 2.484 ( -1.036 -0.346 3.450) 3.619 2.498 ( -2.367 7.318 -2.710) 8.155 2.581 ( -0.010 4.781 2.823) 5.552 2.621 ( 1.650 2.715 3.480) 4.712 2.720 ( 4.771 6.000 0.299) 7.671 2.882 ( 0.959 4.484 -3.602) 5.831 2.919 ( 2.887 6.722 0.333) 7.323 3.107 ( 1.865 -3.211 1.579) 4.035 3.173 ( -4.989 -4.034 5.679) 8.568 3.240 ( 1.141 -3.135 1.055) 3.499 3.445 ( 0.692 1.660 -5.461) 5.749 3.547 ( -0.091 -1.616 0.991) 1.898 3.766 ( -2.487 -3.702 3.270) 5.530 3.923 ( -2.369 3.065 3.086) 4.953 4.012 ( -2.280 -0.088 -0.812) 2.422 4.022 ( 1.817 0.026 3.672) 4.097 4.122 ( 3.344 -0.573 -3.210) 4.671 4.193 ( -2.493 -2.083 -1.396) 3.536 4.229 ( -0.068 -1.592 -0.846) 1.804 4.291 ( -0.592 -0.866 -1.628) 1.937 4.359 ( 1.041 0.686 0.733) 1.446 4.455 ( -2.847 3.591 2.330) 5.141 4.480 ( -0.121 -3.214 -4.856) 5.824 4.606 ( 1.124 -2.301 -1.852) 3.161 4.823 ( 1.054 2.153 0.588) 2.469 4.881 ( 0.202 2.521 -4.830) 5.452 5.024 ( -1.787 -1.491 -3.504) 4.207 5.165 ( 3.012 0.095 -2.978) 4.237 5.239 ( 2.648 -1.954 0.151) 3.294 5.368 ( 0.111 -0.427 -2.851) 2.885 5.593 ( -0.575 -0.768 4.425) 4.528 5.776 ( 2.118 -1.932 2.806) 4.012 5.882 ( -4.734 2.090 -1.625) 5.424 5.964 ( -4.406 2.857 -0.610) 5.286 6.032 ( -0.603 -0.997 3.319) 3.518 6.179 ( 0.244 1.622 -0.101) 1.644 6.218 ( -0.224 -0.706 0.744) 1.050 6.329 ( -1.142 -0.520 1.887) 2.266 6.372 ( 0.965 -0.653 0.914) 1.481 6.580 ( -0.648 3.352 -4.656) 5.774 6.927 ( -4.967 2.916 1.600) 5.978 7.088 ( -1.810 -1.283 0.740) 2.338 7.189 ( 1.712 5.604 -0.658) 5.897 7.264 ( 3.721 4.037 0.000) 5.490 7.597 ( 0.102 0.297 -5.878) 5.886 7.651 ( 0.024 -1.036 -2.039) 2.287 7.781 ( -0.048 0.551 -0.857) 1.019 7.989 ( 3.874 1.976 -0.720) 4.408 8.177 ( 1.963 -3.442 3.858) 5.530 8.305 ( -1.217 -1.404 -4.075) 4.478 8.403 ( -0.380 1.006 3.344) 3.513 8.429 ( -0.104 -1.545 3.431) 3.764 8.496 ( -3.057 -3.660 4.496) 6.554 8.596 ( 0.366 -0.122 4.170) 4.188 8.762 ( 1.493 2.187 -1.606) 3.097 8.804 ( 0.328 1.697 -1.412) 2.231 11.827 ( -0.794 -1.063 -0.046) 1.328 11.924 ( 0.935 0.452 0.973) 1.423 11.933 ( 0.762 -0.469 0.832) 1.222 12.036 ( -0.888 1.392 -1.796) 2.440 15.304 ( -1.073 -2.607 0.961) 2.979 15.504 ( 0.128 -4.655 -3.659) 5.922 15.525 ( -0.150 3.958 4.223) 5.790 15.677 ( -0.895 0.843 -1.717) 2.112 15.705 ( 0.571 0.568 3.269) 3.367 15.793 ( 0.702 0.848 2.766) 2.977 15.982 ( 0.665 0.268 -2.933) 3.019 16.045 ( 0.310 -0.068 -4.432) 4.444 16.245 ( 2.632 -2.145 -1.339) 3.650 16.259 ( 0.402 -3.538 -1.266) 3.779 16.453 ( -4.209 4.068 8.475) 10.300 16.685 ( -4.196 5.210 -0.305) 6.696 ======================= Grid point 54 (20/72) ======================= q-point: ( 0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( -0.427 0.439 0.152) 0.631 1.136 ( 1.385 -1.036 -0.715) 1.872 1.356 ( 0.297 -12.098 5.293) 13.208 1.459 ( 1.040 -5.464 6.779) 8.769 1.597 ( -0.833 2.045 -3.451) 4.097 1.848 ( 2.298 -1.347 -4.546) 5.268 1.982 ( -3.046 4.997 -1.215) 5.977 2.073 ( 0.497 -0.087 -2.696) 2.743 2.094 ( 7.009 -3.523 -4.633) 9.111 2.139 ( -0.816 -5.221 -2.511) 5.850 2.292 ( -4.736 1.196 -3.521) 6.021 2.319 ( 1.950 2.672 -1.885) 3.807 2.371 ( 1.875 2.725 3.160) 4.574 2.483 ( -1.354 0.954 2.548) 3.039 2.534 ( 1.072 3.555 3.407) 5.039 2.557 ( -1.117 -2.667 6.404) 7.027 2.673 ( 1.090 2.888 -1.705) 3.527 2.808 ( -1.025 1.372 -6.361) 6.588 2.969 ( 8.362 -4.591 1.755) 9.700 3.170 ( -3.967 -0.419 0.855) 4.079 3.237 ( -1.377 -4.328 9.375) 10.417 3.279 ( 2.768 -0.693 1.500) 3.224 3.380 ( -2.275 3.608 1.400) 4.489 3.517 ( -1.793 3.384 3.840) 5.423 3.765 ( -2.665 1.062 3.859) 4.809 3.851 ( -0.923 0.590 1.444) 1.813 4.007 ( -0.915 -0.484 -1.367) 1.715 4.046 ( 0.749 0.831 2.253) 2.515 4.136 ( -2.219 0.105 -1.726) 2.814 4.177 ( 2.357 0.737 -2.817) 3.747 4.250 ( 0.155 -0.732 0.679) 1.010 4.305 ( -1.258 -1.287 1.556) 2.379 4.380 ( 1.722 -1.686 -0.836) 2.551 4.414 ( -0.117 0.096 -2.279) 2.284 4.535 ( 0.397 -1.647 -2.526) 3.042 4.667 ( 0.148 -3.197 1.255) 3.438 4.798 ( 1.107 1.379 -6.056) 6.309 4.822 ( 0.481 3.059 -0.543) 3.144 5.032 ( -1.237 -1.871 -4.169) 4.734 5.179 ( 2.234 1.216 -1.456) 2.931 5.280 ( 0.668 -0.536 1.107) 1.400 5.395 ( 1.251 -1.930 -2.022) 3.062 5.625 ( 1.562 -0.686 3.240) 3.662 5.779 ( 0.662 2.884 0.163) 2.963 5.790 ( -5.897 1.216 -1.403) 6.183 5.932 ( -1.405 -2.820 -0.506) 3.191 6.054 ( -1.393 -1.408 3.344) 3.887 6.125 ( 1.838 4.244 2.560) 5.287 6.229 ( 0.582 0.846 0.995) 1.430 6.278 ( -2.080 1.269 -2.860) 3.757 6.447 ( 2.076 -3.887 -1.937) 4.813 6.528 ( -1.144 1.999 -2.338) 3.282 6.874 ( -2.416 -0.372 2.455) 3.465 7.079 ( 1.127 2.869 1.657) 3.499 7.100 ( -1.152 1.649 -2.793) 3.442 7.256 ( 1.444 -0.100 1.757) 2.277 7.568 ( 1.466 1.723 -5.659) 6.094 7.656 ( -0.791 -0.594 -2.006) 2.237 7.787 ( 0.084 -0.669 -1.140) 1.324 7.997 ( 1.812 0.441 -1.840) 2.620 8.238 ( 1.382 -0.002 2.891) 3.204 8.302 ( -1.841 -1.502 0.174) 2.383 8.377 ( -0.531 1.835 4.157) 4.575 8.444 ( -0.080 -0.861 2.202) 2.366 8.574 ( -1.870 -4.926 1.679) 5.530 8.599 ( 1.116 1.314 2.022) 2.657 8.744 ( -0.293 1.101 -1.496) 1.881 8.771 ( 1.100 1.238 -0.011) 1.656 11.843 ( -0.415 -1.193 0.475) 1.350 11.905 ( 0.065 1.346 1.826) 2.269 11.967 ( 1.053 -0.572 -0.537) 1.314 12.002 ( -0.648 0.557 -1.934) 2.115 15.349 ( -1.141 -3.139 1.124) 3.524 15.444 ( 0.287 4.102 2.633) 4.883 15.599 ( 0.267 -4.416 -1.282) 4.606 15.645 ( -0.825 1.571 -2.037) 2.701 15.707 ( 0.817 0.500 3.242) 3.380 15.784 ( -0.017 0.699 2.544) 2.639 15.979 ( 0.525 0.145 -3.130) 3.177 16.036 ( 0.165 0.341 -3.019) 3.042 16.280 ( 2.374 0.788 -0.342) 2.524 16.311 ( -1.915 -1.272 -1.324) 2.653 16.414 ( -0.031 -2.225 3.818) 4.419 16.565 ( -2.426 3.951 -0.036) 4.636 ======================= Grid point 55 (21/72) ======================= q-point: (-0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 0.289 -0.722 0.614) 0.990 1.116 ( -0.457 3.086 -1.851) 3.627 1.294 ( -1.833 16.927 1.945) 17.137 1.476 ( -1.847 4.069 5.839) 7.352 1.645 ( 0.898 -6.782 0.137) 6.843 1.864 ( 4.058 2.616 -3.213) 5.799 1.911 ( -1.128 2.268 -2.353) 3.457 2.062 ( 0.548 0.717 -0.802) 1.208 2.099 ( -6.987 3.156 -4.577) 8.929 2.172 ( -0.831 -0.158 -1.516) 1.736 2.269 ( 6.167 -0.573 -6.349) 8.870 2.337 ( 2.849 -4.882 -2.673) 6.252 2.413 ( -0.738 -0.377 3.015) 3.127 2.460 ( -2.382 -4.752 3.335) 6.275 2.540 ( 0.019 -1.589 3.578) 3.915 2.614 ( -0.491 -1.106 6.802) 6.909 2.651 ( -1.051 -2.022 -2.784) 3.598 2.776 ( -2.284 1.533 -1.835) 3.306 2.979 ( -10.834 6.589 3.454) 13.142 3.135 ( 5.247 -3.267 -6.334) 8.850 3.187 ( -2.166 3.925 6.128) 7.593 3.376 ( 0.099 -2.472 5.163) 5.725 3.413 ( 1.802 -2.029 3.377) 4.332 3.444 ( 1.717 1.449 2.920) 3.684 3.776 ( 2.569 -1.592 4.254) 5.219 3.836 ( -0.835 0.483 1.274) 1.598 4.001 ( 1.092 1.477 -0.795) 2.001 4.007 ( -1.886 0.957 -1.346) 2.507 4.129 ( 0.096 -0.012 -1.297) 1.300 4.194 ( 3.026 0.043 -0.206) 3.033 4.260 ( 0.281 0.032 0.519) 0.591 4.328 ( -0.622 -1.230 1.728) 2.210 4.383 ( -2.144 0.479 -2.261) 3.152 4.447 ( 0.406 -2.108 0.799) 2.291 4.522 ( 0.643 2.291 -3.016) 3.842 4.698 ( 0.411 1.233 -2.716) 3.011 4.765 ( 0.848 0.563 1.732) 2.009 4.826 ( -0.232 -2.634 -5.093) 5.739 5.066 ( -1.072 -3.402 -3.984) 5.347 5.150 ( 0.344 2.806 -1.420) 3.164 5.278 ( -0.349 0.973 0.924) 1.387 5.422 ( -0.388 -0.029 -1.690) 1.734 5.627 ( -0.718 -0.178 2.669) 2.770 5.719 ( -1.979 1.670 0.010) 2.590 5.799 ( 4.595 -1.036 -2.479) 5.323 5.984 ( -0.477 -2.987 1.483) 3.369 6.047 ( -1.725 0.246 6.081) 6.326 6.127 ( 4.479 -0.963 -1.260) 4.751 6.155 ( -1.277 3.598 -0.525) 3.854 6.312 ( 1.337 -2.334 -1.572) 3.116 6.445 ( -2.285 4.662 -0.974) 5.283 6.524 ( 1.613 -2.837 -3.094) 4.496 6.884 ( 1.988 -0.111 3.222) 3.788 7.034 ( -0.118 0.785 -1.207) 1.445 7.122 ( -0.331 -3.484 -0.894) 3.612 7.280 ( -1.841 -2.190 2.247) 3.638 7.568 ( 3.399 -0.093 -5.780) 6.706 7.653 ( -1.432 -0.364 -1.990) 2.478 7.802 ( 0.549 -0.808 -0.915) 1.338 7.981 ( -1.486 1.348 -2.511) 3.214 8.201 ( -1.043 2.782 0.501) 3.013 8.342 ( -0.641 1.117 4.800) 4.970 8.353 ( 1.497 -2.019 3.486) 4.298 8.464 ( -0.399 -0.833 0.824) 1.238 8.559 ( 1.441 3.199 2.928) 4.570 8.643 ( -1.618 -2.054 2.341) 3.509 8.702 ( -2.533 -0.262 -2.736) 3.738 8.789 ( 1.254 -0.812 -0.016) 1.494 11.861 ( 0.494 -0.245 1.321) 1.431 11.888 ( -0.747 0.130 0.884) 1.165 11.946 ( -0.249 1.730 -1.440) 2.265 12.023 ( 0.500 -1.789 -0.932) 2.078 15.373 ( -0.315 2.354 1.299) 2.706 15.409 ( -0.090 -2.237 2.136) 3.094 15.596 ( -0.016 3.117 -1.568) 3.489 15.664 ( -0.277 -2.538 -0.950) 2.724 15.713 ( 0.580 -0.272 3.159) 3.223 15.777 ( -0.608 0.008 2.146) 2.230 15.980 ( 0.403 -0.187 -3.155) 3.186 16.036 ( 0.792 -0.354 -3.360) 3.470 16.255 ( -0.663 2.041 0.059) 2.147 16.299 ( -0.942 0.678 -0.102) 1.165 16.463 ( -0.364 0.418 3.033) 3.084 16.545 ( 2.889 -3.804 -0.530) 4.806 ======================= Grid point 56 (22/72) ======================= q-point: (-0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( -0.259 21.992 2.419) 22.126 0.992 ( -5.659 9.844 2.442) 11.615 1.110 ( 1.257 -1.360 0.234) 1.866 1.364 ( -3.159 4.300 6.344) 8.290 1.673 ( 2.006 4.909 -2.838) 6.015 1.765 ( -6.852 11.567 -1.435) 13.521 1.789 ( -6.017 6.653 -3.958) 9.805 2.035 ( -2.235 -1.852 1.446) 3.243 2.091 ( 3.510 0.561 0.579) 3.602 2.147 ( 0.848 2.585 5.058) 5.743 2.245 ( -0.779 -0.169 -0.313) 0.856 2.405 ( 1.186 -0.845 -0.361) 1.500 2.490 ( -0.016 -7.291 -1.464) 7.436 2.524 ( -1.594 0.590 6.241) 6.469 2.573 ( 1.304 -3.664 1.237) 4.081 2.626 ( 0.325 -1.894 3.682) 4.153 2.707 ( -3.371 -4.260 -0.772) 5.487 2.762 ( -0.096 -7.853 -5.040) 9.332 2.963 ( -3.045 -7.067 -0.922) 7.750 3.113 ( -1.500 2.259 4.923) 5.620 3.181 ( 2.198 1.562 -3.073) 4.088 3.309 ( -3.247 5.455 6.493) 9.081 3.430 ( 1.058 -1.188 -5.415) 5.644 3.490 ( 2.952 2.069 -0.592) 3.653 3.778 ( 0.923 3.814 4.385) 5.884 3.898 ( 2.151 -4.203 3.158) 5.680 3.975 ( -1.130 -0.216 0.160) 1.162 3.998 ( 1.757 1.008 -1.219) 2.365 4.110 ( 2.564 2.606 -3.040) 4.754 4.207 ( 1.507 3.728 -0.861) 4.112 4.254 ( -1.359 -2.396 -0.278) 2.768 4.318 ( 0.055 0.997 -1.049) 1.448 4.385 ( -3.990 -2.177 2.643) 5.258 4.421 ( 1.649 3.200 2.152) 4.195 4.539 ( -0.420 -2.992 -3.052) 4.294 4.642 ( -0.644 2.668 -8.135) 8.586 4.792 ( 1.489 -0.506 8.886) 9.024 4.874 ( 1.253 -2.470 -7.425) 7.924 5.078 ( -2.295 1.845 -3.566) 4.624 5.131 ( -0.169 -2.723 -2.817) 3.921 5.244 ( -1.636 1.355 0.269) 2.141 5.405 ( -0.632 0.138 -3.131) 3.197 5.645 ( -1.497 -1.221 3.114) 3.665 5.681 ( 0.960 1.896 3.480) 4.077 5.844 ( 4.422 0.408 -2.828) 5.264 6.027 ( 0.220 -2.175 1.308) 2.547 6.054 ( 0.963 1.545 4.135) 4.518 6.135 ( -0.514 -4.247 0.648) 4.326 6.196 ( 4.338 -0.815 -1.021) 4.530 6.307 ( -0.315 4.978 0.911) 5.071 6.356 ( -0.192 0.940 -0.061) 0.961 6.600 ( 0.801 -4.715 -3.788) 6.101 6.924 ( 4.894 -0.692 2.166) 5.397 7.043 ( 1.973 -0.600 -1.139) 2.356 7.191 ( -2.358 -4.560 -0.462) 5.154 7.308 ( -3.829 -3.499 1.176) 5.319 7.595 ( 5.544 2.232 -6.260) 8.655 7.637 ( -1.979 -0.145 -2.138) 2.917 7.822 ( -0.356 -1.158 0.164) 1.222 7.933 ( -2.588 0.177 -1.898) 3.214 8.149 ( -0.942 1.706 -0.474) 2.006 8.329 ( 0.178 0.296 5.328) 5.339 8.394 ( 0.143 0.190 2.554) 2.565 8.440 ( -2.184 1.829 -0.605) 2.913 8.546 ( 2.062 0.335 6.158) 6.503 8.612 ( -3.033 0.878 4.234) 5.281 8.736 ( -0.588 -3.384 -2.896) 4.493 8.808 ( 0.096 -0.612 -1.217) 1.365 11.854 ( -0.099 0.949 0.939) 1.339 11.894 ( 0.091 -0.194 -0.315) 0.381 11.918 ( -0.328 0.314 0.244) 0.516 12.057 ( 0.296 -1.453 -0.909) 1.739 15.323 ( -0.131 2.651 1.169) 2.900 15.460 ( 1.264 -1.415 -0.140) 1.902 15.530 ( -0.266 2.999 0.318) 3.027 15.693 ( -0.966 -1.750 0.050) 1.999 15.733 ( 0.755 -0.542 2.193) 2.382 15.779 ( -1.595 -0.952 2.268) 2.932 15.982 ( 0.173 -0.097 -2.902) 2.909 16.047 ( 1.141 0.085 -5.549) 5.665 16.210 ( -1.054 1.917 -0.206) 2.198 16.265 ( -0.931 2.056 -0.025) 2.257 16.473 ( 1.213 -1.957 7.364) 7.715 16.679 ( 4.749 -5.703 -0.382) 7.432 ======================= Grid point 57 (23/72) ======================= q-point: (-0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.519 ( -0.933 14.907 13.802) 20.336 0.681 ( -12.480 14.016 11.900) 22.221 1.153 ( 1.105 -1.461 -0.313) 1.858 1.196 ( -11.552 18.066 10.290) 23.785 1.395 ( -4.977 6.982 20.061) 21.816 1.577 ( -0.797 4.148 -7.674) 8.760 1.625 ( -0.775 5.650 -9.641) 11.201 2.037 ( 1.094 -0.102 3.093) 3.282 2.066 ( -0.117 0.800 3.078) 3.182 2.252 ( 3.632 -3.288 1.071) 5.015 2.310 ( 2.732 -5.790 1.254) 6.524 2.448 ( 0.394 -2.574 0.178) 2.610 2.531 ( 0.706 -0.021 1.076) 1.288 2.583 ( -4.242 -4.206 -0.681) 6.013 2.617 ( 0.465 -0.047 1.858) 1.916 2.676 ( 0.728 -2.794 1.166) 3.113 2.769 ( -2.735 -4.591 2.211) 5.783 2.931 ( 0.423 -8.164 -4.814) 9.487 3.052 ( -1.861 -3.418 1.029) 4.026 3.089 ( 1.093 2.026 -0.302) 2.321 3.143 ( 0.435 2.066 -0.938) 2.311 3.211 ( -2.767 0.650 1.000) 3.013 3.427 ( 1.537 4.725 -4.452) 6.671 3.449 ( 1.960 0.246 -11.926) 12.088 3.711 ( -0.284 3.754 6.230) 7.279 3.908 ( -0.756 1.524 3.870) 4.228 3.988 ( 0.606 1.959 -0.192) 2.059 4.026 ( 2.857 -1.810 -0.611) 3.437 4.095 ( 1.475 0.049 -2.924) 3.276 4.129 ( 0.492 3.863 0.212) 3.900 4.253 ( -4.615 1.249 -2.549) 5.418 4.333 ( -1.449 1.636 -1.068) 2.433 4.353 ( 3.804 -1.424 2.312) 4.673 4.454 ( 1.437 -2.972 6.113) 6.947 4.545 ( -2.544 -0.484 -4.726) 5.389 4.621 ( 1.395 -1.204 -6.905) 7.146 4.823 ( 0.889 -0.290 8.037) 8.091 4.895 ( 3.189 2.113 -5.270) 6.512 5.018 ( -1.847 1.606 -4.869) 5.450 5.164 ( -2.959 -2.895 -3.156) 5.205 5.232 ( -1.240 -1.490 -0.394) 1.978 5.389 ( -0.416 1.291 -4.840) 5.027 5.640 ( -2.580 -0.475 5.716) 6.289 5.674 ( 1.326 1.451 5.262) 5.617 5.879 ( 4.279 -0.601 0.594) 4.362 6.031 ( -0.646 0.527 0.721) 1.102 6.100 ( 1.957 -3.241 -0.956) 3.905 6.154 ( -0.808 3.592 0.982) 3.810 6.222 ( 0.691 -2.768 -0.070) 2.854 6.299 ( 3.722 -1.483 4.062) 5.705 6.351 ( 1.561 0.086 1.796) 2.381 6.682 ( -0.464 -3.798 -3.903) 5.466 6.995 ( 5.096 -1.282 0.604) 5.289 7.079 ( 5.761 0.771 -0.108) 5.813 7.225 ( -4.521 -2.502 0.177) 5.170 7.335 ( -3.816 -2.661 -1.482) 4.882 7.545 ( 3.473 5.637 -4.186) 7.833 7.601 ( -0.752 3.410 -0.917) 3.611 7.847 ( -1.946 -3.528 0.645) 4.081 7.964 ( 3.122 -2.727 -1.203) 4.316 8.117 ( -3.983 -0.621 -1.108) 4.181 8.305 ( -3.774 5.811 0.100) 6.930 8.343 ( -0.326 -0.573 1.697) 1.820 8.423 ( -0.380 0.174 1.482) 1.540 8.555 ( -1.107 -0.321 6.420) 6.522 8.648 ( -0.740 -6.791 7.472) 10.124 8.785 ( 0.717 -2.105 -2.381) 3.258 8.813 ( 0.027 -0.204 -1.923) 1.934 11.836 ( -0.788 0.508 0.084) 0.941 11.885 ( 0.540 0.725 -1.551) 1.795 11.930 ( 0.148 -0.745 2.504) 2.617 12.077 ( -0.014 -0.632 -0.965) 1.153 15.281 ( -0.331 1.537 0.472) 1.642 15.408 ( 1.125 6.453 -3.674) 7.510 15.558 ( 2.098 -3.531 3.917) 5.676 15.708 ( -0.218 -0.175 -0.754) 0.804 15.751 ( 0.321 -0.594 2.333) 2.428 15.792 ( -4.013 -3.072 2.505) 5.640 15.975 ( -0.013 0.876 -3.564) 3.670 16.015 ( -0.050 3.372 -6.289) 7.137 16.172 ( 0.041 1.357 0.034) 1.358 16.217 ( -1.223 1.670 0.051) 2.071 16.615 ( 3.461 -10.416 11.996) 16.260 16.822 ( 5.767 -4.526 1.023) 7.402 ======================= Grid point 59 (24/72) ======================= q-point: ( 0.14 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( 15.132 -0.000 16.691) 22.530 0.701 ( 10.726 -0.000 20.384) 23.034 1.026 ( 20.394 -0.000 18.503) 27.537 1.134 ( -3.210 0.000 -1.163) 3.414 1.360 ( -1.825 0.000 15.315) 15.423 1.608 ( 5.184 -0.000 -6.080) 7.991 1.628 ( 11.853 -0.000 -12.858) 17.487 1.988 ( -7.374 0.000 4.711) 8.750 2.015 ( -1.735 0.000 -1.063) 2.034 2.231 ( -4.886 0.000 0.490) 4.911 2.401 ( -6.852 0.000 -1.741) 7.069 2.428 ( -3.528 0.000 5.339) 6.400 2.542 ( -0.668 0.000 -6.380) 6.415 2.574 ( 3.327 -0.000 1.287) 3.568 2.639 ( 0.960 -0.000 7.607) 7.668 2.755 ( 1.476 -0.000 -2.429) 2.842 2.793 ( 2.002 -0.000 3.478) 4.013 3.058 ( 2.178 -0.000 -0.800) 2.320 3.060 ( -0.146 0.000 1.477) 1.484 3.087 ( 1.338 -0.000 -0.716) 1.517 3.095 ( 1.863 -0.000 -0.446) 1.915 3.211 ( -1.016 0.000 -5.572) 5.664 3.384 ( 0.736 -0.000 -1.187) 1.396 3.480 ( 3.923 -0.000 -18.065) 18.486 3.671 ( -1.832 0.000 7.783) 7.995 3.939 ( 1.308 -0.000 7.438) 7.552 3.953 ( -1.406 0.000 1.222) 1.862 4.054 ( -1.501 0.000 1.221) 1.935 4.098 ( 2.350 -0.000 -1.946) 3.051 4.140 ( 1.641 -0.000 -1.635) 2.316 4.157 ( 1.303 -0.000 1.203) 1.773 4.287 ( -0.642 0.000 0.072) 0.646 4.328 ( -2.574 0.000 -5.824) 6.367 4.473 ( -0.054 0.000 -0.624) 0.626 4.581 ( -0.530 0.000 -9.922) 9.936 4.749 ( -6.950 0.000 8.879) 11.276 4.769 ( -2.954 0.000 -1.543) 3.333 4.876 ( 2.028 -0.000 1.372) 2.448 4.950 ( 0.296 -0.000 -10.161) 10.165 5.171 ( 1.909 -0.000 -2.242) 2.944 5.199 ( 3.722 -0.000 2.326) 4.389 5.361 ( 0.981 -0.000 -1.903) 2.141 5.617 ( -1.815 0.000 5.903) 6.176 5.669 ( -0.603 0.000 5.833) 5.864 5.940 ( -4.033 0.000 0.162) 4.036 6.022 ( 1.462 -0.000 8.784) 8.905 6.065 ( 0.055 -0.000 -4.811) 4.811 6.099 ( -5.280 0.000 -2.919) 6.033 6.193 ( -3.296 0.000 -3.145) 4.556 6.313 ( -6.279 0.000 2.359) 6.707 6.405 ( 2.637 -0.000 6.921) 7.407 6.718 ( 0.145 -0.000 -6.038) 6.040 6.995 ( -6.096 0.000 0.983) 6.175 7.064 ( -7.419 0.000 -2.225) 7.746 7.412 ( 1.109 -0.000 -2.338) 2.588 7.436 ( 9.516 -0.000 -4.207) 10.405 7.454 ( 3.018 -0.000 1.626) 3.429 7.535 ( 1.445 -0.000 1.108) 1.821 7.938 ( -1.602 0.000 -1.982) 2.548 7.984 ( 4.810 -0.000 3.040) 5.690 8.165 ( 3.700 -0.000 -3.236) 4.915 8.184 ( 0.886 -0.000 0.739) 1.153 8.305 ( -1.633 0.000 -2.314) 2.832 8.417 ( 0.035 -0.000 2.377) 2.378 8.535 ( -2.171 0.000 6.175) 6.545 8.620 ( -6.885 0.000 5.041) 8.533 8.827 ( 1.164 -0.000 -1.843) 2.180 8.830 ( 2.205 -0.000 -2.185) 3.104 11.805 ( -0.784 0.000 -0.473) 0.916 11.899 ( 1.280 -0.000 -0.962) 1.601 11.962 ( 0.531 -0.000 3.046) 3.092 12.060 ( -1.050 0.000 -1.018) 1.463 15.284 ( 0.457 -0.000 1.154) 1.242 15.292 ( -0.916 0.000 -0.674) 1.138 15.666 ( -4.951 0.000 3.703) 6.182 15.693 ( -0.464 0.000 -0.848) 0.967 15.729 ( 0.932 -0.000 0.561) 1.088 15.896 ( 7.730 -0.000 -2.645) 8.170 15.920 ( 1.631 -0.000 -2.105) 2.663 15.992 ( 1.010 -0.000 -2.173) 2.396 16.175 ( -0.534 0.000 -0.989) 1.123 16.196 ( 2.214 -0.000 1.148) 2.494 16.651 ( -17.231 0.000 12.427) 21.245 16.758 ( -4.646 0.000 1.716) 4.953 ======================= Grid point 60 (25/72) ======================= q-point: ( 0.29 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 15.361 -4.484 14.009) 21.268 0.933 ( 7.253 -10.173 13.542) 18.425 1.097 ( -2.914 0.508 -1.264) 3.217 1.265 ( 3.939 -2.132 3.751) 5.842 1.554 ( 9.950 -8.398 4.650) 13.826 1.618 ( 11.777 -5.241 1.378) 12.964 1.840 ( 8.920 -7.932 -5.979) 13.350 1.963 ( -3.679 -3.329 4.068) 6.416 1.991 ( -1.772 0.117 -1.144) 2.113 2.152 ( -8.184 2.590 0.090) 8.584 2.284 ( -3.338 3.671 -3.461) 6.049 2.421 ( -4.838 -0.398 3.848) 6.195 2.461 ( 0.124 4.604 -3.743) 5.935 2.580 ( 0.287 2.001 1.183) 2.342 2.657 ( 0.535 1.241 5.022) 5.200 2.709 ( 1.154 4.365 0.977) 4.619 2.819 ( 3.568 1.194 1.023) 3.899 3.005 ( -0.577 5.898 0.032) 5.926 3.052 ( 1.991 3.366 -0.091) 3.912 3.089 ( 2.118 -0.471 0.003) 2.170 3.120 ( -0.473 2.656 -2.602) 3.748 3.184 ( 1.172 -3.428 1.235) 3.827 3.432 ( -1.187 -3.601 -4.496) 5.882 3.505 ( 2.013 -1.496 -9.310) 9.642 3.685 ( -2.817 -2.575 5.550) 6.736 3.924 ( -2.281 0.469 5.191) 5.690 3.973 ( -0.708 -1.460 3.948) 4.269 4.054 ( -1.590 1.278 0.523) 2.106 4.135 ( -0.986 -0.830 0.289) 1.321 4.145 ( 3.145 -0.345 -2.974) 4.343 4.192 ( 1.461 -3.070 -0.192) 3.405 4.282 ( -0.760 0.517 -2.398) 2.568 4.342 ( 1.685 -3.091 -1.813) 3.960 4.455 ( -0.076 1.086 -1.940) 2.225 4.515 ( -3.502 5.161 -1.064) 6.327 4.605 ( 0.245 1.700 0.356) 1.754 4.839 ( -1.755 -2.340 0.392) 2.951 4.890 ( -1.192 -0.094 -1.693) 2.073 4.963 ( -0.298 -2.331 -7.501) 7.861 5.196 ( 4.443 -0.006 -2.378) 5.039 5.255 ( 5.759 -0.589 0.499) 5.810 5.366 ( 0.787 0.085 -2.929) 3.034 5.585 ( -1.209 0.689 5.702) 5.870 5.726 ( -0.462 -4.302 4.005) 5.896 5.877 ( -5.303 2.267 -0.824) 5.826 5.979 ( -4.785 3.194 0.663) 5.791 6.035 ( -0.640 1.094 1.552) 2.004 6.118 ( -2.681 -3.789 -2.835) 5.439 6.193 ( -0.481 -2.408 -0.529) 2.512 6.285 ( -4.227 -2.012 2.879) 5.496 6.410 ( 1.397 2.107 4.765) 5.394 6.647 ( -1.083 5.106 -5.186) 7.357 6.951 ( -5.382 4.030 -0.554) 6.747 6.994 ( -4.933 -4.233 -0.248) 6.505 7.319 ( 1.281 5.360 -0.215) 5.515 7.402 ( 3.441 5.946 -0.220) 6.873 7.572 ( 1.122 -1.654 -0.098) 2.001 7.608 ( 3.764 -3.927 -2.210) 5.872 7.853 ( 0.732 5.245 -2.926) 6.050 8.050 ( 1.213 0.402 1.524) 1.989 8.152 ( 4.281 -0.896 -1.012) 4.489 8.269 ( 0.924 -3.019 -2.375) 3.951 8.322 ( -3.676 -4.570 0.011) 5.865 8.419 ( -0.115 0.188 3.688) 3.695 8.498 ( -1.185 2.405 6.630) 7.151 8.592 ( -0.501 -0.908 4.145) 4.272 8.811 ( 1.475 1.991 -1.961) 3.160 8.839 ( 1.294 1.240 -2.015) 2.697 11.804 ( -0.575 -0.630 -0.286) 0.900 11.918 ( 1.308 -0.937 -0.869) 1.828 11.958 ( 0.248 1.091 2.814) 3.028 12.044 ( -1.041 0.586 -1.333) 1.790 15.263 ( -0.658 -0.597 0.865) 1.241 15.381 ( -0.486 -6.386 -1.091) 6.497 15.599 ( -2.928 3.168 3.369) 5.473 15.683 ( -0.442 0.663 -1.061) 1.327 15.730 ( 1.108 0.534 1.784) 2.167 15.851 ( 3.337 3.748 1.260) 5.174 15.992 ( 1.282 0.146 -2.918) 3.190 16.032 ( 2.087 -2.227 -4.773) 5.666 16.186 ( 0.046 -2.452 -1.176) 2.720 16.242 ( 2.604 -1.838 0.504) 3.227 16.490 ( -8.115 3.753 10.171) 13.542 16.697 ( -6.772 1.815 0.393) 7.022 ======================= Grid point 61 (26/72) ======================= q-point: ( 0.43 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( -1.479 0.304 -0.064) 1.511 1.101 ( 4.469 -5.342 2.022) 7.252 1.159 ( 7.795 -11.052 7.790) 15.607 1.367 ( 3.119 -6.184 8.508) 10.971 1.611 ( 4.527 -0.001 -6.453) 7.882 1.850 ( 1.338 -0.101 -0.985) 1.665 1.997 ( -3.656 -7.210 5.431) 9.739 2.020 ( -5.384 1.280 -2.651) 6.136 2.059 ( 4.900 -5.612 0.595) 7.474 2.099 ( 6.190 -3.103 0.042) 6.924 2.230 ( 0.664 -1.576 -5.794) 6.041 2.347 ( -3.143 2.188 -0.462) 3.857 2.404 ( -0.197 1.909 -0.651) 2.027 2.521 ( -0.602 3.625 0.605) 3.724 2.591 ( -0.618 4.621 2.058) 5.096 2.668 ( 1.866 4.519 3.094) 5.786 2.794 ( 3.365 6.651 -2.000) 7.718 2.844 ( -1.942 6.757 -3.888) 8.034 3.000 ( 4.346 0.222 0.628) 4.397 3.114 ( -2.125 -2.355 5.190) 6.083 3.178 ( 4.685 -2.991 1.756) 5.829 3.263 ( 1.222 -3.436 2.310) 4.317 3.439 ( -0.303 1.992 -3.438) 3.985 3.524 ( -2.614 -0.720 0.177) 2.717 3.713 ( -4.126 -2.655 4.191) 6.453 3.891 ( -1.615 3.320 2.263) 4.330 3.946 ( -4.485 -1.055 2.152) 5.085 4.047 ( -0.680 -1.146 3.254) 3.516 4.112 ( -2.982 0.219 -0.925) 3.130 4.182 ( 0.929 -1.664 -2.699) 3.304 4.242 ( 2.593 -0.280 -1.744) 3.138 4.288 ( 0.387 -0.476 1.169) 1.320 4.401 ( 3.614 -0.225 -1.113) 3.788 4.415 ( -2.179 1.888 -1.871) 3.437 4.485 ( 1.502 -3.685 -2.057) 4.480 4.609 ( -0.373 -1.485 0.293) 1.559 4.841 ( 0.898 1.290 -4.076) 4.369 4.862 ( -1.441 1.462 0.253) 2.069 4.992 ( 0.111 -1.727 -5.076) 5.363 5.229 ( 4.118 1.120 -1.564) 4.545 5.305 ( 4.224 0.638 0.355) 4.287 5.379 ( 2.021 -1.181 -2.651) 3.537 5.613 ( 1.548 -2.275 4.287) 5.094 5.750 ( -7.789 0.664 0.921) 7.871 5.811 ( -1.287 0.919 -0.338) 1.617 5.881 ( -2.178 -0.230 -2.975) 3.694 6.029 ( -1.180 -0.073 3.610) 3.799 6.143 ( -3.284 -2.717 -2.698) 5.045 6.223 ( 0.023 0.093 1.936) 1.939 6.294 ( -2.631 -0.170 3.816) 4.638 6.403 ( 1.536 -1.336 -0.218) 2.047 6.550 ( -1.001 2.981 -4.256) 5.291 6.852 ( -3.345 1.849 0.746) 3.894 7.029 ( -3.150 -3.415 -1.538) 4.894 7.238 ( 2.636 6.143 0.633) 6.714 7.311 ( 0.855 5.106 1.153) 5.304 7.571 ( -1.708 0.353 -0.915) 1.969 7.673 ( 2.915 0.745 -4.044) 5.040 7.799 ( 2.369 0.905 -1.916) 3.178 8.028 ( 0.494 1.824 -2.165) 2.874 8.230 ( 2.167 -3.112 4.027) 5.531 8.283 ( -0.287 0.861 -1.918) 2.122 8.386 ( -2.026 -2.653 0.312) 3.352 8.432 ( -0.753 -2.410 3.454) 4.279 8.477 ( 0.384 -0.343 5.537) 5.561 8.621 ( 1.015 -0.673 2.664) 2.929 8.778 ( 0.794 2.588 -1.625) 3.157 8.809 ( 0.399 2.041 -1.615) 2.633 11.817 ( -0.273 -1.154 0.108) 1.191 11.935 ( -0.100 1.454 1.937) 2.424 11.953 ( 1.094 -1.417 -0.476) 1.852 12.016 ( -0.705 1.385 -1.532) 2.183 15.287 ( -0.899 -2.412 1.263) 2.867 15.493 ( -0.438 -5.383 -2.409) 5.913 15.520 ( -1.268 2.825 3.768) 4.877 15.661 ( -0.080 1.148 -1.129) 1.612 15.734 ( 0.880 0.549 2.508) 2.714 15.821 ( 1.692 2.432 2.056) 3.606 15.989 ( 0.867 0.624 -3.080) 3.260 16.044 ( 0.514 0.610 -3.291) 3.386 16.253 ( -0.237 -3.569 -1.587) 3.913 16.299 ( 3.138 -1.523 -0.867) 3.594 16.399 ( -3.370 1.422 6.524) 7.480 16.592 ( -5.465 2.845 -0.251) 6.167 ======================= Grid point 62 (27/72) ======================= q-point: ( 0.57 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -0.696 -0.485 0.969) 1.288 1.134 ( -0.757 0.083 -0.708) 1.040 1.448 ( 4.020 -6.210 3.938) 8.380 1.515 ( 5.215 -5.114 7.152) 10.222 1.593 ( 1.786 5.806 -2.642) 6.624 1.844 ( -1.745 -1.864 -5.905) 6.433 1.936 ( -2.078 0.874 -1.694) 2.820 2.063 ( -1.372 0.220 2.441) 2.809 2.128 ( -1.635 2.384 -2.892) 4.090 2.155 ( 2.157 -4.286 -0.956) 4.892 2.276 ( 4.848 -1.941 -4.275) 6.749 2.341 ( -2.889 1.399 2.989) 4.386 2.394 ( 2.278 1.722 -2.858) 4.040 2.446 ( -0.540 2.285 -0.295) 2.366 2.523 ( -2.963 -0.360 1.905) 3.541 2.584 ( 1.114 2.372 3.294) 4.209 2.658 ( -2.196 4.995 -1.084) 5.563 2.783 ( 1.232 1.495 -5.704) 6.024 3.072 ( -5.532 5.825 3.576) 8.793 3.115 ( 7.217 -2.962 -2.514) 8.196 3.241 ( -0.309 0.712 5.451) 5.506 3.350 ( -0.011 1.298 4.950) 5.117 3.384 ( 3.537 -3.518 3.903) 6.334 3.485 ( -2.122 1.256 2.798) 3.730 3.736 ( -1.785 -3.311 4.343) 5.746 3.838 ( -0.829 0.601 0.784) 1.290 3.966 ( -2.711 -3.060 -0.353) 4.103 4.020 ( -3.438 1.135 0.327) 3.635 4.115 ( 1.034 -0.506 -0.301) 1.190 4.214 ( 0.513 -1.359 -0.244) 1.473 4.260 ( 1.161 0.706 1.480) 2.010 4.294 ( -0.143 -1.327 -0.011) 1.334 4.391 ( -1.155 -0.001 -4.082) 4.243 4.425 ( 2.708 0.295 -0.220) 2.733 4.546 ( 1.031 -0.907 -0.612) 1.504 4.657 ( -1.206 -4.469 -0.067) 4.629 4.795 ( 0.845 3.823 -7.729) 8.664 4.824 ( -0.794 1.162 1.634) 2.157 5.022 ( 1.476 -1.455 -3.916) 4.431 5.209 ( 0.900 3.028 -1.853) 3.662 5.317 ( 3.163 1.815 0.438) 3.673 5.423 ( 1.820 -0.491 -0.711) 2.015 5.612 ( -4.473 0.808 2.216) 5.057 5.712 ( -1.970 0.063 0.357) 2.003 5.797 ( 2.666 -3.674 -1.597) 4.812 5.927 ( 0.841 -2.081 -1.169) 2.531 6.023 ( -2.761 -0.972 3.085) 4.252 6.143 ( -0.454 -0.007 1.093) 1.183 6.220 ( -2.222 2.577 3.789) 5.093 6.258 ( 0.817 -1.706 -3.038) 3.579 6.470 ( 0.740 -2.087 -2.763) 3.541 6.500 ( -0.589 0.865 -2.055) 2.306 6.837 ( -1.897 -2.607 2.107) 3.851 7.063 ( -1.049 -2.919 -2.658) 4.084 7.133 ( 2.869 7.204 1.745) 7.948 7.254 ( -1.622 1.175 1.630) 2.582 7.553 ( -1.848 -0.977 -1.908) 2.831 7.658 ( 1.717 1.464 -4.367) 4.916 7.825 ( 4.150 0.265 -2.013) 4.620 7.989 ( -1.972 1.684 -2.798) 3.815 8.245 ( -0.796 2.184 -0.078) 2.326 8.310 ( 1.412 -3.024 5.586) 6.508 8.382 ( -0.437 1.058 3.561) 3.741 8.458 ( 0.834 -0.265 1.431) 1.678 8.548 ( -1.046 -5.509 1.517) 5.809 8.624 ( 1.205 1.838 1.874) 2.889 8.714 ( -1.668 3.370 -1.267) 3.968 8.792 ( 0.547 0.184 -0.627) 0.852 11.841 ( 0.073 -1.534 0.640) 1.664 11.906 ( -0.455 1.610 1.623) 2.330 11.979 ( 0.022 1.939 -1.206) 2.284 11.991 ( 0.376 -1.845 -1.210) 2.238 15.334 ( -0.582 -3.156 1.528) 3.555 15.445 ( -0.810 3.233 2.268) 4.031 15.594 ( -0.302 -4.199 -1.383) 4.431 15.638 ( 0.472 1.282 -0.861) 1.615 15.729 ( 0.239 0.776 2.878) 2.990 15.796 ( 0.530 1.697 1.762) 2.503 15.982 ( 0.623 0.349 -3.192) 3.270 16.036 ( 0.560 0.074 -3.017) 3.070 16.265 ( -2.299 0.433 0.430) 2.378 16.326 ( 2.501 1.305 -0.719) 2.912 16.430 ( 0.591 -4.040 2.212) 4.644 16.515 ( -2.787 0.448 0.125) 2.826 ======================= Grid point 63 (28/72) ======================= q-point: (-0.29 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( -0.149 -0.878 0.239) 0.922 1.099 ( -0.337 3.336 -1.020) 3.505 1.342 ( 5.047 18.837 1.280) 19.543 1.447 ( -2.653 6.402 6.148) 9.264 1.687 ( 1.256 -5.378 2.120) 5.916 1.841 ( 0.603 2.289 -7.095) 7.479 1.919 ( -8.858 7.512 -4.413) 12.424 1.992 ( 5.757 1.034 -4.801) 7.567 2.129 ( 5.836 -2.304 -1.664) 6.492 2.152 ( -0.349 1.947 -1.495) 2.480 2.263 ( -7.448 0.244 -0.194) 7.455 2.370 ( 3.536 -3.994 -3.089) 6.165 2.432 ( 1.582 2.588 0.017) 3.033 2.443 ( -1.378 -7.165 7.581) 10.522 2.531 ( -0.952 -1.733 2.745) 3.383 2.585 ( -3.277 -0.014 -1.174) 3.481 2.654 ( 0.377 -6.682 2.110) 7.017 2.738 ( -1.004 8.061 4.490) 9.281 2.857 ( -2.506 2.354 -1.100) 3.610 3.165 ( -1.296 4.556 5.837) 7.517 3.211 ( 3.894 -1.133 -4.175) 5.820 3.368 ( -4.797 3.252 6.135) 8.440 3.396 ( 0.724 -2.365 4.436) 5.079 3.535 ( 3.379 -1.362 -0.872) 3.746 3.821 ( 0.165 -4.484 2.580) 5.176 3.838 ( 1.601 -0.623 3.339) 3.755 3.970 ( -0.451 1.091 0.224) 1.202 4.001 ( -0.985 -1.561 -1.116) 2.157 4.126 ( -0.089 -0.514 -1.936) 2.005 4.238 ( 1.013 -0.051 0.329) 1.066 4.262 ( -1.214 -0.609 0.458) 1.433 4.310 ( -0.168 -0.247 -0.221) 0.371 4.356 ( 0.361 2.311 -3.481) 4.194 4.454 ( -0.713 -1.890 3.692) 4.208 4.533 ( 1.282 2.633 -1.739) 3.406 4.702 ( -0.422 4.953 -8.233) 9.618 4.741 ( -0.723 -5.189 0.010) 5.239 4.824 ( 0.275 -1.542 -0.978) 1.847 5.060 ( 1.337 -1.396 -3.593) 4.080 5.148 ( -0.288 2.944 -1.402) 3.274 5.285 ( 0.483 3.464 -0.146) 3.501 5.407 ( -0.795 1.382 -1.830) 2.427 5.600 ( -2.107 -1.795 2.347) 3.629 5.711 ( 1.164 -0.378 1.836) 2.206 5.893 ( 5.285 0.323 -3.569) 6.385 5.969 ( -1.470 -4.155 1.242) 4.578 6.031 ( -1.439 -3.094 4.413) 5.578 6.133 ( -1.548 4.023 3.078) 5.297 6.180 ( 1.481 -2.842 -0.186) 3.210 6.330 ( 1.126 -3.617 -2.821) 4.723 6.407 ( -1.068 5.070 -0.824) 5.247 6.539 ( 0.930 -2.162 -3.262) 4.023 6.905 ( -0.381 -4.987 2.774) 5.720 7.059 ( 2.329 3.258 1.968) 4.463 7.116 ( 0.269 -3.329 -2.965) 4.467 7.233 ( -3.140 -1.105 1.015) 3.480 7.574 ( -1.241 -2.747 -2.249) 3.761 7.652 ( 2.227 0.444 -5.944) 6.363 7.846 ( 3.465 1.470 -0.583) 3.809 7.921 ( -3.368 1.840 -2.528) 4.596 8.195 ( 0.095 2.805 1.118) 3.021 8.352 ( 0.039 0.541 4.416) 4.449 8.384 ( 0.326 -1.428 4.782) 5.002 8.458 ( -0.391 1.181 0.065) 1.246 8.587 ( -0.454 1.784 3.266) 3.749 8.619 ( -0.935 0.996 2.792) 3.108 8.661 ( -0.185 -2.469 -2.423) 3.465 8.798 ( -0.100 -0.505 -0.968) 1.096 11.872 ( -1.029 -0.035 0.642) 1.213 11.876 ( 0.706 -0.169 1.541) 1.704 11.943 ( 0.280 1.830 -1.049) 2.127 12.026 ( 0.027 -1.772 -1.312) 2.205 15.369 ( -0.341 1.672 1.029) 1.993 15.414 ( -0.021 -2.401 2.639) 3.568 15.591 ( 0.140 2.773 -1.671) 3.241 15.656 ( -0.286 -1.700 0.207) 1.736 15.727 ( -0.374 -0.373 2.017) 2.085 15.776 ( -0.072 0.727 1.949) 2.081 15.980 ( 0.375 -0.004 -3.018) 3.042 16.045 ( 1.028 -0.645 -4.468) 4.630 16.231 ( -0.961 1.291 1.009) 1.900 16.308 ( 1.288 2.442 -0.997) 2.936 16.453 ( -1.709 -0.628 4.014) 4.407 16.588 ( 1.612 -6.601 -0.510) 6.814 ======================= Grid point 64 (29/72) ======================= q-point: (-0.14 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( -2.771 15.747 2.638) 16.205 1.002 ( 8.621 21.164 4.321) 23.258 1.123 ( 0.101 -1.028 -0.136) 1.042 1.313 ( -3.746 4.936 3.193) 6.971 1.613 ( -4.841 11.511 -2.635) 12.763 1.664 ( -2.659 10.438 3.852) 11.439 1.780 ( 6.680 6.955 -4.954) 10.841 2.036 ( 0.177 -1.058 -3.881) 4.027 2.123 ( -0.590 3.438 7.369) 8.153 2.189 ( 0.787 -4.307 -0.868) 4.464 2.257 ( 2.034 0.384 1.829) 2.762 2.361 ( -4.216 -3.076 2.869) 5.955 2.465 ( -0.962 -4.701 -0.890) 4.880 2.568 ( 2.987 -0.464 3.146) 4.362 2.596 ( -3.853 -4.060 0.380) 5.610 2.598 ( -0.414 -3.402 0.414) 3.452 2.658 ( -0.517 -6.552 2.736) 7.120 2.803 ( 5.097 -5.254 -1.910) 7.566 2.924 ( -0.702 -7.704 -3.194) 8.370 3.098 ( -1.094 1.908 3.629) 4.243 3.213 ( 1.884 2.950 -1.521) 3.817 3.250 ( -4.836 4.875 6.272) 9.300 3.439 ( 1.462 -1.253 -5.963) 6.266 3.533 ( 1.405 3.315 0.564) 3.644 3.787 ( -0.851 3.891 3.561) 5.343 3.944 ( 0.063 1.870 3.558) 4.020 3.964 ( 2.231 -4.974 2.166) 5.866 4.023 ( 0.915 -1.038 -2.455) 2.818 4.116 ( -1.120 0.993 -3.531) 3.835 4.219 ( 0.106 3.909 -1.497) 4.188 4.233 ( -0.095 0.877 -0.721) 1.140 4.315 ( -1.596 0.802 -1.590) 2.391 4.346 ( 0.036 -2.595 2.423) 3.551 4.479 ( 2.177 0.826 4.661) 5.210 4.502 ( -2.107 -0.964 -2.829) 3.656 4.608 ( -0.988 2.608 -7.920) 8.397 4.811 ( -0.568 -2.487 5.496) 6.059 4.880 ( 1.513 -3.411 -8.153) 8.966 5.050 ( -0.370 2.243 -1.993) 3.023 5.133 ( 1.450 -0.477 -3.558) 3.872 5.222 ( -0.612 2.251 -0.225) 2.343 5.384 ( -0.847 0.089 -2.981) 3.100 5.609 ( -2.232 -0.653 3.821) 4.473 5.727 ( 2.249 1.292 3.642) 4.471 5.905 ( 2.293 0.183 -2.159) 3.155 6.022 ( -1.234 -3.905 -0.072) 4.096 6.056 ( -2.359 2.524 3.004) 4.578 6.148 ( 1.625 -5.839 3.492) 6.995 6.226 ( -0.229 1.189 -0.506) 1.312 6.314 ( 1.247 2.395 0.648) 2.777 6.367 ( 0.470 0.099 0.645) 0.805 6.595 ( 0.055 -4.137 -4.556) 6.154 6.994 ( -0.689 -4.045 2.535) 4.823 7.061 ( 1.708 -0.836 2.237) 2.936 7.177 ( 1.538 -2.971 -2.904) 4.430 7.244 ( -2.678 -2.930 -0.613) 4.017 7.606 ( -0.479 -0.928 -3.079) 3.251 7.652 ( 2.139 1.351 -6.975) 7.420 7.805 ( -2.213 1.599 1.078) 2.935 7.920 ( 2.704 -2.258 -1.232) 3.732 8.146 ( 0.464 3.319 2.437) 4.144 8.340 ( -1.123 1.266 -0.480) 1.759 8.388 ( 0.207 2.313 3.763) 4.422 8.423 ( -0.329 0.512 2.609) 2.679 8.543 ( -3.161 1.787 4.345) 5.662 8.594 ( -0.862 -0.299 5.298) 5.376 8.736 ( 1.419 -3.557 -2.001) 4.321 8.805 ( 0.015 -0.612 -1.461) 1.584 11.843 ( -0.936 1.064 0.199) 1.431 11.904 ( 0.958 -0.004 0.058) 0.960 11.921 ( 0.342 0.048 1.122) 1.174 12.053 ( -0.395 -1.481 -1.468) 2.122 15.318 ( -0.667 2.627 0.884) 2.851 15.489 ( 1.948 -2.738 -0.837) 3.463 15.523 ( -0.581 3.052 0.921) 3.240 15.680 ( -0.304 -1.316 0.566) 1.464 15.727 ( -2.061 -0.490 1.342) 2.508 15.776 ( 0.452 -0.035 2.850) 2.886 15.980 ( 0.386 -0.018 -2.906) 2.932 16.051 ( 0.773 0.607 -6.427) 6.501 16.207 ( 1.083 1.605 0.660) 2.046 16.258 ( 0.160 3.337 -1.291) 3.581 16.490 ( -1.862 -4.777 8.729) 10.124 16.727 ( 0.162 -7.084 -0.460) 7.101 ======================= Grid point 67 (30/72) ======================= q-point: ( 0.29 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( 8.165 -0.000 16.688) 18.578 1.013 ( 17.363 -0.000 9.301) 19.697 1.071 ( -2.848 0.000 -1.456) 3.199 1.282 ( 0.591 -0.000 7.414) 7.438 1.537 ( 9.613 -0.000 8.973) 13.150 1.733 ( 14.637 -0.000 3.387) 15.024 1.836 ( 9.836 -0.000 -12.627) 16.006 1.908 ( -1.069 0.000 1.223) 1.624 1.985 ( 0.953 -0.000 2.134) 2.337 2.114 ( -6.012 0.000 -2.296) 6.435 2.252 ( -7.924 0.000 -1.424) 8.051 2.388 ( -2.092 0.000 1.418) 2.527 2.493 ( -2.359 0.000 -4.953) 5.486 2.593 ( -1.509 0.000 2.662) 3.060 2.675 ( 0.681 -0.000 7.121) 7.154 2.749 ( -1.994 0.000 -0.089) 1.996 2.869 ( 3.773 -0.000 3.208) 4.952 3.052 ( -0.559 0.000 1.262) 1.381 3.073 ( 0.648 -0.000 -1.197) 1.361 3.116 ( 1.244 -0.000 -0.833) 1.497 3.159 ( 3.145 -0.000 -0.400) 3.170 3.179 ( -0.653 0.000 -4.672) 4.717 3.345 ( -3.718 0.000 -3.461) 5.080 3.505 ( 3.076 -0.000 -13.374) 13.724 3.640 ( -3.792 0.000 7.334) 8.256 3.923 ( -2.001 0.000 3.107) 3.696 3.973 ( 0.901 -0.000 7.980) 8.030 4.049 ( 0.326 -0.000 2.098) 2.123 4.111 ( -3.971 0.000 -3.196) 5.097 4.151 ( -1.694 0.000 2.190) 2.769 4.180 ( 5.165 -0.000 -1.870) 5.493 4.284 ( 0.818 -0.000 -5.854) 5.911 4.335 ( 4.635 -0.000 1.578) 4.896 4.472 ( -0.299 0.000 -0.984) 1.028 4.530 ( -2.449 0.000 -7.844) 8.217 4.671 ( -3.427 0.000 8.449) 9.117 4.709 ( -2.403 0.000 -3.299) 4.082 4.883 ( -0.805 0.000 1.682) 1.864 4.948 ( 2.385 -0.000 -9.889) 10.173 5.238 ( 5.437 -0.000 -1.733) 5.706 5.317 ( 7.790 -0.000 0.654) 7.817 5.373 ( 0.967 -0.000 -2.810) 2.972 5.604 ( -0.946 0.000 5.299) 5.383 5.656 ( -2.504 0.000 3.509) 4.311 5.851 ( -5.734 0.000 0.473) 5.753 5.977 ( -6.403 0.000 -1.009) 6.482 6.014 ( -4.513 0.000 -5.525) 7.134 6.064 ( 0.294 -0.000 7.513) 7.519 6.155 ( -0.210 0.000 -2.923) 2.931 6.228 ( -3.062 0.000 1.844) 3.574 6.445 ( -0.049 0.000 4.716) 4.716 6.698 ( -0.341 0.000 -5.714) 5.724 6.892 ( -4.710 0.000 0.718) 4.764 6.941 ( -5.118 0.000 -2.117) 5.539 7.353 ( -3.453 0.000 0.010) 3.453 7.478 ( -0.025 0.000 -4.311) 4.311 7.598 ( 8.839 -0.000 -0.873) 8.882 7.626 ( 5.100 -0.000 4.615) 6.879 7.901 ( -2.720 0.000 -2.488) 3.686 8.054 ( 0.560 -0.000 1.629) 1.723 8.187 ( -0.714 0.000 0.615) 0.942 8.202 ( 2.371 -0.000 -4.666) 5.234 8.283 ( 0.462 -0.000 -0.764) 0.892 8.421 ( -0.784 0.000 4.288) 4.359 8.524 ( -0.880 0.000 7.157) 7.211 8.577 ( 0.131 -0.000 2.067) 2.071 8.836 ( 0.443 -0.000 -2.479) 2.519 8.870 ( 2.515 -0.000 -2.348) 3.441 11.794 ( -0.265 0.000 -0.187) 0.324 11.919 ( 1.027 -0.000 -1.119) 1.519 11.975 ( 0.027 -0.000 2.694) 2.694 12.038 ( -0.848 0.000 -0.803) 1.168 15.278 ( -0.426 0.000 -0.252) 0.495 15.293 ( 0.166 -0.000 1.512) 1.521 15.599 ( -3.487 0.000 3.632) 5.035 15.684 ( -0.290 0.000 -0.664) 0.724 15.744 ( 0.599 -0.000 1.362) 1.488 15.947 ( 1.764 -0.000 -2.054) 2.707 16.005 ( 5.124 -0.000 -3.049) 5.963 16.007 ( 1.282 -0.000 -2.720) 3.007 16.167 ( 0.025 -0.000 -1.267) 1.267 16.246 ( 2.725 -0.000 1.537) 3.129 16.454 ( -8.634 0.000 9.520) 12.852 16.651 ( -6.733 0.000 0.192) 6.736 ======================= Grid point 68 (31/72) ======================= q-point: ( 0.43 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( 4.425 -3.903 4.241) 7.267 1.048 ( -0.885 -0.784 0.577) 1.316 1.159 ( 12.861 -1.425 8.445) 15.452 1.334 ( 4.125 -2.865 9.504) 10.749 1.630 ( -1.035 -4.727 5.133) 7.055 1.797 ( -4.370 0.547 0.218) 4.410 1.900 ( 1.718 -0.033 1.393) 2.212 1.996 ( 2.970 -1.697 -3.659) 5.009 2.029 ( 2.301 -1.978 -1.653) 3.455 2.098 ( 11.662 -3.212 -2.023) 12.264 2.227 ( 0.667 -2.044 -3.695) 4.275 2.343 ( -3.203 2.417 0.921) 4.117 2.448 ( -0.395 1.875 -3.393) 3.897 2.560 ( -3.454 1.680 2.441) 4.551 2.656 ( -2.674 3.349 1.558) 4.560 2.720 ( -0.421 0.443 5.109) 5.145 2.879 ( 2.468 1.751 -1.322) 3.302 2.997 ( -0.156 5.620 2.806) 6.283 3.057 ( -1.137 5.354 -4.086) 6.830 3.095 ( 1.485 -0.735 -0.745) 1.817 3.179 ( 2.762 -1.414 0.284) 3.116 3.206 ( 0.873 -3.603 0.255) 3.716 3.370 ( -2.972 -4.867 -3.484) 6.683 3.508 ( 0.616 0.611 -6.979) 7.033 3.631 ( -4.409 -2.084 6.530) 8.150 3.894 ( -1.709 1.147 2.919) 3.572 3.977 ( 0.179 2.552 6.107) 6.621 4.026 ( -3.678 1.182 1.088) 4.014 4.087 ( -1.873 -0.948 -0.874) 2.274 4.152 ( -0.273 -1.464 0.366) 1.533 4.253 ( 3.767 -1.454 -1.952) 4.485 4.286 ( 1.992 -0.522 -0.436) 2.105 4.404 ( 2.054 -1.529 -1.166) 2.814 4.446 ( -0.100 1.437 -2.811) 3.159 4.467 ( 0.177 1.792 -2.116) 2.779 4.609 ( 0.008 1.188 2.247) 2.541 4.788 ( -2.665 -5.097 -4.084) 7.054 4.874 ( -0.716 0.477 3.052) 3.171 4.969 ( 2.764 -0.785 -7.427) 7.963 5.285 ( 4.970 0.529 -1.735) 5.291 5.375 ( 4.736 1.091 -1.514) 5.091 5.380 ( 3.759 -0.178 -0.493) 3.795 5.601 ( 1.518 -0.838 3.574) 3.972 5.667 ( -6.462 -2.077 1.176) 6.888 5.789 ( -6.272 0.484 -0.360) 6.301 5.878 ( -1.736 1.985 -2.336) 3.523 6.029 ( -5.210 -3.804 -2.859) 7.056 6.046 ( -0.224 1.401 4.736) 4.944 6.192 ( -0.247 -2.801 0.880) 2.946 6.237 ( -1.630 -2.750 1.844) 3.691 6.424 ( -0.897 1.749 2.259) 2.995 6.621 ( -0.091 5.276 -4.287) 6.799 6.871 ( -3.102 2.593 -1.034) 4.173 6.921 ( -2.778 -4.795 -0.782) 5.597 7.312 ( -0.894 1.570 -0.529) 1.882 7.425 ( 0.029 4.705 -1.543) 4.951 7.612 ( 2.042 4.375 2.788) 5.575 7.701 ( 5.806 -1.069 -2.504) 6.412 7.841 ( -0.945 2.002 -0.980) 2.421 8.045 ( -2.237 0.216 -1.403) 2.650 8.216 ( 1.948 -0.295 -0.913) 2.172 8.250 ( -1.449 -5.908 -0.816) 6.138 8.297 ( 1.515 -0.295 0.563) 1.643 8.418 ( -0.913 -0.039 4.488) 4.581 8.513 ( 0.469 1.206 6.408) 6.538 8.605 ( 0.711 -1.737 2.166) 2.866 8.824 ( 0.481 1.204 -2.573) 2.881 8.859 ( 1.444 2.840 -2.314) 3.937 11.799 ( 0.045 -0.630 0.106) 0.641 11.933 ( 0.395 -0.902 -1.523) 1.813 11.965 ( -0.231 1.120 2.421) 2.678 12.028 ( -0.240 0.531 -0.588) 0.827 15.257 ( -0.214 -0.194 1.283) 1.315 15.374 ( -0.251 -5.911 -0.337) 5.926 15.556 ( -2.372 1.913 3.100) 4.347 15.678 ( 0.067 0.489 -0.712) 0.867 15.748 ( 0.403 0.264 2.032) 2.089 15.906 ( 2.167 4.062 -0.060) 4.604 16.007 ( 1.129 0.667 -2.977) 3.253 16.057 ( 1.625 0.002 -3.760) 4.096 16.191 ( 0.947 -2.718 -0.361) 2.900 16.291 ( 2.317 -1.753 1.029) 3.082 16.392 ( -4.918 0.554 6.325) 8.031 16.577 ( -5.955 1.503 -0.626) 6.173 ======================= Grid point 69 (32/72) ======================= q-point: ( 0.57 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( -0.776 -0.329 1.110) 1.393 1.113 ( -0.408 -1.278 -0.239) 1.363 1.379 ( 8.600 -6.681 3.165) 11.341 1.438 ( 2.687 -5.876 4.605) 7.935 1.670 ( -2.118 2.090 3.139) 4.325 1.793 ( -1.313 -5.085 2.751) 5.929 1.923 ( -3.993 1.861 -5.781) 7.268 1.968 ( -1.179 -7.207 9.793) 12.216 2.081 ( -3.517 0.141 1.035) 3.669 2.189 ( 3.652 3.507 -3.646) 6.240 2.291 ( 6.097 -0.891 -3.341) 7.010 2.351 ( 5.263 -2.259 -4.247) 7.131 2.437 ( 3.172 -0.146 -1.367) 3.457 2.471 ( -4.414 3.596 -0.875) 5.760 2.556 ( -3.245 3.761 0.934) 5.055 2.662 ( -2.830 5.882 1.111) 6.622 2.819 ( 0.435 10.967 -1.464) 11.073 2.846 ( 2.535 3.630 -5.272) 6.884 3.044 ( 0.247 -2.747 3.805) 4.699 3.154 ( 4.324 -1.800 0.286) 4.692 3.225 ( 0.313 -2.049 2.035) 2.905 3.318 ( 2.439 -6.480 0.847) 6.976 3.402 ( -2.833 -0.067 -1.253) 3.098 3.470 ( -2.730 1.832 1.334) 3.548 3.651 ( -3.443 -3.324 6.326) 7.932 3.872 ( -3.665 3.136 1.202) 4.971 3.887 ( 0.730 0.302 0.549) 0.962 3.990 ( -3.776 -0.671 3.331) 5.080 4.118 ( 2.192 -1.589 0.833) 2.833 4.185 ( 0.018 -1.345 -0.275) 1.372 4.270 ( -0.389 -0.614 -0.618) 0.954 4.315 ( 1.484 3.016 -0.558) 3.407 4.363 ( -1.079 -1.000 -3.055) 3.391 4.467 ( 3.440 -0.113 -0.693) 3.511 4.517 ( 2.014 -2.583 -2.001) 3.838 4.601 ( -0.701 -0.500 3.044) 3.163 4.810 ( -2.232 -0.599 -5.045) 5.549 4.859 ( 0.450 1.582 0.290) 1.670 5.009 ( 2.793 -1.558 -4.151) 5.240 5.270 ( 0.562 3.170 -3.374) 4.664 5.397 ( 5.397 1.958 -0.334) 5.751 5.432 ( 3.543 -1.132 1.416) 3.980 5.574 ( -7.134 0.602 0.922) 7.218 5.699 ( -3.769 0.796 0.273) 3.862 5.720 ( 1.606 -4.831 -1.197) 5.230 5.913 ( 3.859 -2.350 -1.746) 4.844 5.993 ( -3.390 0.783 0.721) 3.553 6.078 ( -2.737 -3.742 0.389) 4.652 6.219 ( -1.153 -0.594 3.980) 4.186 6.265 ( -1.322 -0.015 1.504) 2.002 6.416 ( 0.152 -2.500 -1.491) 2.915 6.536 ( 0.640 3.507 -3.379) 4.912 6.811 ( -1.307 1.091 0.717) 1.847 6.982 ( -1.421 -4.086 -2.127) 4.821 7.279 ( 1.966 3.012 0.219) 3.603 7.309 ( -0.908 6.823 1.147) 6.978 7.541 ( -1.559 2.549 1.027) 3.160 7.705 ( 1.223 2.267 -3.672) 4.486 7.859 ( 4.685 -0.908 -2.730) 5.498 8.000 ( -2.524 1.885 -3.462) 4.680 8.236 ( -1.551 -1.363 0.839) 2.229 8.309 ( 1.993 -0.221 5.221) 5.593 8.349 ( -1.365 -4.038 -2.693) 5.042 8.429 ( -0.591 -1.848 4.784) 5.163 8.511 ( 0.950 0.417 5.113) 5.217 8.642 ( 0.767 -0.959 1.668) 2.071 8.787 ( 0.712 4.491 -1.535) 4.799 8.805 ( -0.325 1.438 -2.361) 2.783 11.818 ( 0.264 -1.177 0.493) 1.303 11.932 ( -0.698 1.274 1.010) 1.769 11.960 ( -0.213 -1.086 -1.093) 1.556 12.012 ( 0.656 1.263 -0.321) 1.459 15.282 ( 0.008 -2.235 1.954) 2.969 15.471 ( -1.287 -2.530 -1.822) 3.373 15.514 ( -0.261 -0.904 3.102) 3.242 15.666 ( 0.671 1.039 -0.757) 1.450 15.745 ( -0.230 0.616 2.607) 2.689 15.850 ( 0.622 3.337 0.801) 3.488 15.996 ( 0.657 0.881 -3.031) 3.224 16.046 ( 0.581 0.943 -3.387) 3.564 16.243 ( -0.640 -1.319 0.705) 1.626 16.357 ( 2.730 -3.302 0.181) 4.289 16.368 ( -0.996 -0.211 2.633) 2.823 16.500 ( -3.964 1.504 -0.197) 4.245 ======================= Grid point 70 (33/72) ======================= q-point: (-0.29 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( -0.026 -0.881 1.560) 1.792 1.122 ( -0.297 -0.245 -0.659) 0.763 1.462 ( -1.242 -2.628 1.675) 3.355 1.618 ( -4.861 -0.779 4.729) 6.826 1.625 ( 3.595 1.527 -1.142) 4.069 1.818 ( -2.545 -1.345 -1.006) 3.049 1.873 ( 4.753 -0.588 -3.899) 6.176 2.027 ( -2.181 -2.799 -0.584) 3.596 2.157 ( 3.314 2.322 -1.384) 4.276 2.197 ( -0.234 -7.444 5.676) 9.364 2.260 ( -2.726 6.662 -2.083) 7.494 2.313 ( -0.792 1.969 -3.320) 3.940 2.431 ( 4.794 4.325 -2.023) 6.766 2.470 ( -1.620 -1.942 0.045) 2.529 2.496 ( -3.039 3.668 0.416) 4.782 2.540 ( 0.338 -2.184 0.686) 2.314 2.663 ( 2.115 6.069 -0.259) 6.432 2.812 ( 2.377 1.547 -7.395) 7.920 3.016 ( -1.391 9.490 4.678) 10.671 3.191 ( 1.019 -2.595 1.124) 3.006 3.265 ( 1.366 3.953 2.198) 4.725 3.353 ( -0.812 -0.632 5.294) 5.393 3.402 ( -2.584 2.110 7.188) 7.925 3.464 ( -1.827 -7.202 -1.759) 7.636 3.715 ( -1.598 -5.147 4.884) 7.273 3.829 ( -0.044 -1.304 0.731) 1.495 3.940 ( 0.891 -3.006 -0.233) 3.144 3.989 ( -0.199 -0.775 2.495) 2.620 4.148 ( 2.373 1.409 -1.714) 3.249 4.199 ( -1.226 -1.060 0.023) 1.620 4.236 ( -3.184 -0.540 0.389) 3.253 4.317 ( 1.168 -0.492 -2.350) 2.670 4.383 ( 1.644 -0.137 -1.188) 2.034 4.461 ( 0.693 2.547 0.179) 2.646 4.560 ( 0.037 -1.127 -1.679) 2.022 4.633 ( -0.543 -2.784 2.149) 3.558 4.786 ( -0.748 0.353 -4.471) 4.547 4.819 ( 1.130 2.990 -2.554) 4.091 5.056 ( 2.670 -0.927 -3.013) 4.131 5.196 ( -1.332 3.352 -3.061) 4.731 5.365 ( -0.186 4.035 0.162) 4.042 5.436 ( -0.117 2.263 -0.578) 2.339 5.557 ( -0.006 -1.717 2.338) 2.901 5.687 ( -0.645 -2.786 -0.336) 2.879 5.857 ( 1.708 -5.963 1.350) 6.348 5.946 ( 2.289 1.162 -3.738) 4.535 5.984 ( -1.173 -1.525 1.420) 2.391 6.122 ( -2.600 -3.132 2.850) 4.969 6.190 ( -1.444 2.308 4.407) 5.180 6.270 ( 1.136 -2.028 -3.251) 3.996 6.472 ( 1.044 1.377 -2.685) 3.193 6.497 ( 0.091 -2.059 -2.198) 3.013 6.822 ( -0.300 -2.880 2.314) 3.706 7.046 ( -0.030 -3.916 -2.970) 4.915 7.170 ( -0.561 6.456 2.671) 7.009 7.241 ( 0.955 3.174 1.056) 3.479 7.518 ( -1.046 -1.381 -1.210) 2.113 7.676 ( 1.299 1.185 -4.669) 4.990 7.903 ( 2.704 1.227 -2.207) 3.699 7.927 ( -1.832 1.777 -3.550) 4.372 8.231 ( -0.688 0.696 0.736) 1.225 8.342 ( -0.072 -1.137 5.406) 5.525 8.370 ( -1.330 -0.870 2.197) 2.712 8.468 ( -0.304 -0.538 3.248) 3.306 8.541 ( -0.594 -3.165 1.185) 3.431 8.651 ( 0.735 1.152 1.731) 2.206 8.702 ( 1.375 4.411 -0.392) 4.637 8.785 ( -0.891 0.000 -1.763) 1.975 11.846 ( 0.173 -1.462 0.900) 1.725 11.900 ( -0.488 1.490 1.274) 2.020 11.969 ( -0.413 0.123 -1.722) 1.775 12.002 ( 0.750 0.049 -0.593) 0.957 15.340 ( 0.631 -3.246 2.374) 4.071 15.430 ( -1.201 2.607 1.305) 3.153 15.590 ( 0.260 -3.714 -0.921) 3.835 15.649 ( 0.756 1.436 -0.533) 1.708 15.728 ( -0.928 0.798 2.629) 2.900 15.801 ( -0.498 1.963 1.086) 2.299 15.984 ( 0.398 0.487 -2.992) 3.057 16.038 ( 0.465 -0.101 -3.527) 3.559 16.240 ( -0.582 0.243 1.396) 1.532 16.362 ( 1.098 1.389 -1.163) 2.118 16.436 ( -0.401 0.001 1.936) 1.977 16.482 ( -0.342 -4.963 0.312) 4.984 ======================= Grid point 71 (34/72) ======================= q-point: (-0.14 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( -0.025 0.048 -0.144) 0.154 1.106 ( 1.204 2.620 -0.321) 2.901 1.403 ( -4.020 11.601 3.531) 12.776 1.422 ( 1.835 11.218 6.036) 12.870 1.641 ( -3.524 -2.272 -2.882) 5.088 1.824 ( -0.016 4.075 -3.149) 5.149 1.926 ( 8.297 2.351 -4.589) 9.769 2.049 ( 2.093 1.371 -6.906) 7.346 2.111 ( -5.489 -2.990 -2.105) 6.595 2.160 ( -0.324 4.221 -1.589) 4.522 2.259 ( 7.055 -2.211 -0.550) 7.413 2.351 ( -3.805 -6.471 1.695) 7.696 2.398 ( -5.347 2.881 1.524) 6.262 2.474 ( 2.872 -2.800 3.362) 5.233 2.516 ( -0.879 -3.946 0.727) 4.107 2.568 ( -1.147 0.423 5.016) 5.163 2.641 ( 1.024 0.944 0.304) 1.426 2.804 ( 4.760 1.031 -0.131) 4.873 2.848 ( 1.747 2.406 -0.325) 2.991 3.169 ( 0.611 4.985 2.992) 5.846 3.252 ( 0.939 -0.646 1.153) 1.621 3.293 ( -4.893 3.785 6.541) 9.003 3.412 ( -0.545 -1.832 1.865) 2.670 3.540 ( -1.605 -2.955 0.623) 3.420 3.809 ( -2.555 -4.225 3.204) 5.886 3.858 ( -0.291 -1.571 2.701) 3.138 3.995 ( 1.470 -2.182 -0.693) 2.721 4.011 ( 2.833 0.822 1.947) 3.534 4.126 ( 1.140 1.473 -2.548) 3.156 4.208 ( -2.817 -1.930 -1.034) 3.568 4.246 ( -0.224 -0.871 -1.626) 1.858 4.317 ( 0.354 0.341 -0.373) 0.617 4.369 ( 0.892 3.520 -2.388) 4.346 4.430 ( -2.235 -1.162 2.989) 3.910 4.545 ( -0.079 2.344 -3.162) 3.937 4.656 ( -0.412 1.612 -0.210) 1.677 4.775 ( 2.828 -0.296 -4.700) 5.493 4.822 ( -0.005 -3.107 -1.797) 3.590 5.064 ( -0.571 0.947 -3.418) 3.593 5.149 ( 1.299 0.752 -1.919) 2.437 5.283 ( -0.668 3.620 0.241) 3.689 5.391 ( -0.170 1.756 -2.097) 2.740 5.591 ( 0.594 -0.699 2.851) 2.995 5.749 ( 1.976 -2.073 1.939) 3.458 5.893 ( -4.146 -1.408 -1.400) 4.597 5.968 ( -0.921 0.394 -1.464) 1.774 6.035 ( 2.191 -3.855 1.563) 4.701 6.110 ( -1.966 0.100 6.696) 6.979 6.204 ( 1.592 -1.903 0.061) 2.482 6.321 ( -1.325 -2.990 -3.289) 4.638 6.414 ( 1.743 4.434 -1.236) 4.922 6.543 ( 0.250 -1.892 -2.876) 3.452 6.899 ( -1.029 -4.247 2.710) 5.142 7.074 ( -0.910 0.126 1.782) 2.005 7.127 ( 0.045 -2.367 -2.106) 3.169 7.210 ( 1.663 0.796 0.487) 1.907 7.556 ( 0.486 -2.915 -3.454) 4.546 7.670 ( 0.798 0.491 -4.895) 4.984 7.825 ( -3.489 2.578 -0.967) 4.444 7.942 ( 4.206 0.473 -1.736) 4.574 8.208 ( 0.909 1.965 2.185) 3.076 8.343 ( -1.955 0.251 0.711) 2.096 8.385 ( -1.317 -1.163 4.700) 5.017 8.448 ( -0.954 1.485 2.889) 3.385 8.579 ( 0.171 -0.043 1.610) 1.619 8.602 ( -1.680 3.095 1.977) 4.038 8.702 ( 3.491 -1.369 0.137) 3.752 8.784 ( -0.941 -1.020 -1.573) 2.098 11.854 ( -0.941 0.801 0.479) 1.325 11.894 ( 0.645 -1.019 1.750) 2.125 11.950 ( 0.809 1.508 -0.713) 1.854 12.018 ( -0.468 -1.420 -1.696) 2.261 15.364 ( -0.699 2.813 1.247) 3.155 15.426 ( 0.683 -4.092 2.519) 4.854 15.594 ( 0.500 3.387 -1.254) 3.646 15.656 ( 0.215 -1.709 -0.888) 1.938 15.709 ( -1.677 0.332 2.129) 2.731 15.781 ( -0.132 0.114 2.318) 2.325 15.979 ( 0.358 0.014 -2.943) 2.965 16.044 ( 0.097 -0.591 -4.136) 4.179 16.241 ( 1.592 0.360 0.797) 1.816 16.326 ( 0.823 3.192 -2.314) 4.027 16.425 ( -2.292 -0.978 5.018) 5.603 16.595 ( -0.666 -6.380 -0.295) 6.422 ======================= Grid point 75 (35/72) ======================= q-point: ( 0.43 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( -0.698 0.000 -0.764) 1.035 1.066 ( 5.636 -0.000 2.740) 6.266 1.308 ( 11.225 -0.000 5.507) 12.503 1.312 ( 0.248 -0.000 19.928) 19.930 1.514 ( -7.188 0.000 5.358) 8.965 1.791 ( -6.572 0.000 -0.479) 6.589 1.942 ( 3.629 -0.000 -1.264) 3.842 1.986 ( -2.790 0.000 -7.581) 8.078 2.034 ( 3.832 -0.000 -3.710) 5.334 2.205 ( 13.288 -0.000 -0.952) 13.322 2.206 ( 9.532 -0.000 2.082) 9.757 2.366 ( 0.372 -0.000 -2.609) 2.636 2.437 ( -3.650 0.000 -2.367) 4.350 2.535 ( -5.855 0.000 3.607) 6.877 2.650 ( -6.728 0.000 -0.304) 6.735 2.718 ( -0.110 0.000 10.172) 10.172 2.897 ( -1.155 0.000 -0.532) 1.272 3.049 ( -0.772 0.000 2.565) 2.678 3.085 ( 0.956 -0.000 -0.520) 1.088 3.103 ( -0.998 0.000 -5.038) 5.136 3.146 ( -2.522 0.000 -7.249) 7.676 3.193 ( 2.302 -0.000 -0.992) 2.506 3.318 ( 2.199 -0.000 0.952) 2.396 3.519 ( 1.372 -0.000 -9.299) 9.399 3.584 ( -3.724 0.000 7.770) 8.616 3.901 ( -1.478 0.000 3.218) 3.541 3.986 ( -6.683 0.000 -3.783) 7.680 4.034 ( 3.596 -0.000 6.769) 7.665 4.065 ( 0.429 -0.000 2.370) 2.409 4.138 ( -0.643 0.000 5.520) 5.558 4.259 ( 2.334 -0.000 -2.274) 3.259 4.311 ( 2.625 -0.000 -5.170) 5.799 4.411 ( 2.538 -0.000 1.729) 3.071 4.456 ( -0.640 0.000 -0.626) 0.895 4.470 ( -1.359 0.000 -6.065) 6.215 4.650 ( -1.675 0.000 5.037) 5.308 4.680 ( 0.509 -0.000 -3.981) 4.013 4.877 ( -0.163 0.000 2.210) 2.216 4.985 ( 3.856 -0.000 -7.297) 8.253 5.330 ( 3.872 -0.000 -2.255) 4.481 5.386 ( 1.568 -0.000 -0.111) 1.572 5.457 ( 5.881 -0.000 -0.109) 5.882 5.581 ( -5.358 0.000 -0.020) 5.358 5.621 ( 2.096 -0.000 -0.046) 2.096 5.727 ( -7.674 0.000 0.796) 7.715 5.888 ( -2.644 0.000 0.560) 2.702 5.939 ( -0.593 0.000 -3.116) 3.172 6.079 ( -0.678 0.000 8.055) 8.084 6.150 ( 0.065 -0.000 -2.706) 2.707 6.201 ( -0.713 0.000 0.775) 1.053 6.428 ( -2.432 0.000 1.792) 3.022 6.687 ( 0.707 -0.000 -5.321) 5.368 6.837 ( -1.648 0.000 0.894) 1.875 6.871 ( -1.962 0.000 -1.849) 2.696 7.308 ( -1.341 0.000 -0.181) 1.354 7.463 ( -0.080 0.000 -5.081) 5.082 7.708 ( 2.065 -0.000 4.027) 4.525 7.745 ( 7.303 -0.000 -2.104) 7.600 7.831 ( -3.724 0.000 1.102) 3.884 7.983 ( -7.400 0.000 2.003) 7.666 8.195 ( 1.540 -0.000 -3.415) 3.746 8.247 ( 3.898 -0.000 -4.950) 6.301 8.308 ( 1.307 -0.000 3.415) 3.657 8.414 ( -0.989 0.000 4.296) 4.408 8.531 ( -0.616 0.000 7.956) 7.980 8.596 ( 0.750 -0.000 1.379) 1.570 8.832 ( 0.043 -0.000 -3.276) 3.276 8.900 ( 1.247 -0.000 -2.660) 2.938 11.796 ( 0.387 -0.000 0.345) 0.518 11.923 ( -0.184 0.000 -2.007) 2.015 11.976 ( -0.598 0.000 2.196) 2.276 12.032 ( 0.371 -0.000 0.104) 0.385 15.277 ( 0.328 -0.000 0.493) 0.592 15.296 ( -0.337 0.000 1.352) 1.394 15.557 ( -1.996 0.000 2.968) 3.577 15.680 ( 0.021 -0.000 -0.466) 0.467 15.757 ( 0.256 -0.000 1.889) 1.906 15.967 ( 0.915 -0.000 -2.122) 2.311 16.021 ( 0.861 -0.000 -2.973) 3.095 16.068 ( 2.475 -0.000 -3.090) 3.959 16.178 ( 1.755 -0.000 0.830) 1.941 16.290 ( 0.976 -0.000 1.531) 1.816 16.353 ( -5.015 0.000 5.815) 7.679 16.545 ( -3.588 0.000 -1.332) 3.827 ======================= Grid point 76 (36/72) ======================= q-point: (-0.43 -0.57 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 0.289 -0.108 0.257) 0.402 1.098 ( -0.028 0.094 -1.264) 1.268 1.322 ( 1.795 -3.454 12.212) 12.817 1.440 ( 1.319 1.051 -0.897) 1.910 1.547 ( -11.029 -9.887 14.158) 20.490 1.710 ( 1.960 0.875 7.050) 7.370 1.903 ( -2.295 2.341 -6.859) 7.603 1.999 ( 3.812 0.242 -0.187) 3.824 2.035 ( -1.383 -0.848 -4.974) 5.232 2.285 ( 2.064 3.189 -1.172) 3.975 2.339 ( 3.157 -2.060 -1.864) 4.205 2.354 ( 8.000 -0.949 -2.468) 8.425 2.430 ( -0.068 -2.116 -1.671) 2.697 2.466 ( -6.427 1.187 2.184) 6.891 2.577 ( -3.031 2.046 0.056) 3.658 2.725 ( -0.911 1.723 6.410) 6.700 2.889 ( -0.901 0.309 -3.720) 3.840 2.996 ( -1.018 6.891 1.075) 7.048 3.032 ( -0.404 1.127 -0.311) 1.237 3.133 ( 2.198 -2.687 -0.788) 3.560 3.167 ( -3.354 -4.050 -3.651) 6.402 3.201 ( 1.371 -1.180 -1.045) 2.090 3.387 ( 4.171 -2.620 -0.603) 4.962 3.488 ( -1.236 2.220 -4.101) 4.825 3.587 ( -1.757 -1.972 7.328) 7.789 3.861 ( -2.564 1.425 0.544) 2.984 3.951 ( -3.137 -0.878 2.062) 3.855 4.006 ( 1.116 6.360 0.985) 6.532 4.096 ( 1.677 -2.247 3.490) 4.477 4.156 ( 0.244 -1.804 2.703) 3.258 4.268 ( -1.441 0.405 -3.010) 3.361 4.330 ( 0.777 -1.130 -1.014) 1.706 4.374 ( 0.135 2.835 -2.305) 3.656 4.475 ( 2.337 -1.600 1.276) 3.106 4.506 ( 2.514 -1.640 -2.671) 4.018 4.618 ( 0.128 1.367 3.500) 3.760 4.734 ( -1.709 -3.766 -5.030) 6.512 4.875 ( -0.087 0.335 1.680) 1.715 5.015 ( 3.721 -0.417 -5.055) 6.290 5.321 ( -0.166 2.445 -4.369) 5.009 5.430 ( 3.008 -1.549 3.411) 4.804 5.460 ( -2.799 0.602 -0.401) 2.891 5.547 ( 1.906 1.147 -0.142) 2.229 5.623 ( -7.389 -0.280 -4.493) 8.653 5.711 ( 4.602 -2.470 2.077) 5.620 5.896 ( 0.856 -1.932 0.977) 2.328 5.964 ( 1.033 -1.467 -2.855) 3.372 6.046 ( -0.808 1.865 4.221) 4.685 6.189 ( -0.151 -2.369 2.269) 3.284 6.221 ( -0.846 -2.589 0.325) 2.743 6.395 ( -2.262 0.668 0.108) 2.361 6.625 ( 1.393 4.973 -3.396) 6.180 6.837 ( -0.338 1.974 -0.753) 2.140 6.890 ( -0.372 -4.568 -1.190) 4.735 7.307 ( 0.699 -0.363 -0.168) 0.806 7.414 ( -0.508 4.440 -3.024) 5.396 7.628 ( -1.667 6.744 2.629) 7.427 7.749 ( -0.085 2.507 -1.719) 3.041 7.863 ( 3.841 -2.554 -1.422) 4.827 7.965 ( -5.466 -2.533 0.142) 6.026 8.206 ( -0.076 -0.327 -3.609) 3.625 8.282 ( 2.667 -1.469 -1.051) 3.221 8.330 ( 1.412 -0.330 3.590) 3.872 8.413 ( -0.807 -0.287 4.717) 4.795 8.531 ( -0.574 0.440 6.536) 6.576 8.620 ( 0.194 -1.753 1.875) 2.574 8.819 ( -0.118 0.971 -3.356) 3.496 8.871 ( 0.390 3.312 -2.390) 4.103 11.806 ( 0.605 -0.570 0.649) 1.055 11.923 ( -0.760 -0.635 -2.290) 2.495 11.962 ( -0.745 0.894 1.878) 2.210 12.035 ( 0.900 0.456 0.231) 1.035 15.263 ( 0.351 -0.192 1.869) 1.911 15.368 ( -0.223 -5.451 -0.549) 5.483 15.533 ( -1.046 1.342 2.925) 3.384 15.680 ( 0.351 0.117 -0.493) 0.617 15.756 ( -0.116 0.450 2.197) 2.245 15.925 ( 0.054 4.040 -0.757) 4.111 16.014 ( 0.358 0.828 -2.889) 3.026 16.068 ( 0.677 1.101 -4.240) 4.432 16.220 ( 1.610 -1.310 2.319) 3.112 16.307 ( -1.242 -2.030 3.539) 4.265 16.343 ( -2.054 -2.087 1.029) 3.104 16.513 ( 0.315 1.611 -1.075) 1.962 ======================= Grid point 77 (37/72) ======================= q-point: (-0.29 -0.57 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 0.779 -0.339 1.463) 1.692 1.094 ( -1.881 -1.420 -0.601) 2.432 1.359 ( -12.520 -3.390 -1.232) 13.029 1.445 ( -2.843 -6.390 3.090) 7.646 1.623 ( 2.375 -4.875 9.288) 10.755 1.806 ( -4.296 2.723 -2.448) 5.644 1.886 ( 2.017 -7.683 5.331) 9.566 2.021 ( 4.680 2.528 -3.307) 6.263 2.052 ( 1.203 -3.278 4.805) 5.940 2.225 ( 1.455 2.659 -4.538) 5.458 2.320 ( -6.198 1.955 -2.050) 6.814 2.381 ( 1.932 2.198 -0.422) 2.957 2.436 ( -0.768 -0.260 -2.396) 2.530 2.504 ( 2.780 -3.231 1.763) 4.613 2.526 ( 2.526 3.421 -0.833) 4.333 2.615 ( -1.554 8.148 -0.077) 8.295 2.821 ( -0.447 8.568 -1.673) 8.741 2.847 ( -1.107 2.704 -4.479) 5.348 3.074 ( 1.857 -2.626 4.426) 5.471 3.160 ( -2.722 -1.315 -0.731) 3.110 3.208 ( -8.007 -4.325 0.112) 9.101 3.294 ( 2.790 -5.144 1.456) 6.030 3.424 ( 2.653 2.409 -0.110) 3.585 3.437 ( -1.398 1.358 0.736) 2.083 3.644 ( 1.345 -3.413 6.220) 7.221 3.829 ( -0.439 1.331 0.550) 1.506 3.931 ( 2.935 0.455 -1.187) 3.199 3.954 ( -1.164 -1.106 3.815) 4.139 4.157 ( 0.679 -2.000 1.130) 2.396 4.178 ( -0.943 -0.277 0.441) 1.077 4.234 ( -1.387 1.383 -1.270) 2.334 4.312 ( 0.579 -0.063 -2.179) 2.256 4.394 ( 2.218 -0.881 -0.489) 2.436 4.508 ( -0.188 1.159 0.996) 1.540 4.524 ( 0.128 -0.269 -3.953) 3.965 4.625 ( 2.677 -0.673 6.444) 7.010 4.752 ( -2.755 -1.196 -4.395) 5.324 4.869 ( 0.999 0.961 -3.142) 3.434 5.059 ( 3.181 -1.228 -2.562) 4.265 5.242 ( -2.317 3.872 -4.506) 6.377 5.379 ( -6.517 1.147 0.277) 6.623 5.479 ( 0.278 1.573 2.149) 2.678 5.571 ( 3.846 -0.032 0.120) 3.848 5.601 ( -0.245 -3.834 -1.863) 4.269 5.806 ( 2.199 -2.430 0.253) 3.287 5.938 ( 0.495 -1.742 1.212) 2.179 5.996 ( 4.662 0.255 -3.786) 6.011 6.045 ( -1.647 -2.320 3.214) 4.292 6.203 ( -1.929 0.720 2.705) 3.400 6.259 ( 0.788 -1.481 0.780) 1.850 6.405 ( -0.820 -3.825 -1.387) 4.150 6.551 ( 1.763 4.025 -2.861) 5.243 6.809 ( 0.746 0.761 1.173) 1.585 6.970 ( 0.838 -4.192 -2.470) 4.938 7.283 ( -1.817 6.480 0.696) 6.766 7.325 ( 2.494 2.661 0.790) 3.732 7.516 ( -1.324 2.550 0.137) 2.877 7.702 ( -0.325 1.667 -3.337) 3.744 7.927 ( -4.063 1.812 -1.977) 4.868 7.935 ( 3.540 -1.523 -3.464) 5.181 8.209 ( -1.370 -1.205 -0.593) 1.918 8.328 ( -0.422 -1.625 -0.470) 1.743 8.349 ( 0.716 0.040 5.120) 5.170 8.439 ( 0.578 -2.314 5.290) 5.803 8.520 ( -1.320 0.475 3.750) 4.004 8.656 ( 0.088 -1.332 1.973) 2.382 8.786 ( -0.865 1.701 -3.073) 3.617 8.798 ( 0.802 4.094 -1.267) 4.360 11.828 ( 0.608 -1.010 0.965) 1.524 11.917 ( -0.889 0.572 -0.284) 1.094 11.947 ( -0.789 -0.396 -0.531) 1.030 12.030 ( 1.087 1.141 -0.050) 1.577 15.296 ( 0.761 -2.367 2.523) 3.542 15.447 ( -0.629 -1.385 -1.641) 2.237 15.521 ( 0.203 -2.083 2.364) 3.158 15.678 ( 0.844 0.721 -0.512) 1.222 15.742 ( -0.788 1.034 2.494) 2.813 15.842 ( -1.497 3.534 0.477) 3.867 15.996 ( 0.121 0.837 -2.844) 2.967 16.046 ( 0.478 0.989 -3.823) 3.978 16.235 ( -0.584 -0.334 1.715) 1.842 16.344 ( -2.214 -1.787 1.392) 3.168 16.395 ( 0.830 -4.237 0.687) 4.372 16.490 ( 3.393 2.724 -0.091) 4.353 ======================= Grid point 78 (38/72) ======================= q-point: (-0.14 -0.57 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 0.414 -0.226 1.140) 1.234 1.119 ( 0.185 -1.783 -1.144) 2.127 1.398 ( -7.652 -9.415 1.148) 12.187 1.498 ( -3.588 -1.980 3.894) 5.653 1.655 ( -0.443 7.930 -1.173) 8.029 1.791 ( 2.036 -6.129 0.823) 6.511 1.966 ( -2.703 -2.033 -1.036) 3.537 2.046 ( 6.740 0.285 -2.572) 7.220 2.140 ( -0.721 2.175 -0.462) 2.337 2.181 ( -1.666 -2.984 -0.373) 3.438 2.248 ( -0.770 0.192 -5.830) 5.884 2.314 ( 1.205 4.117 -3.004) 5.237 2.405 ( -1.904 4.713 -0.281) 5.091 2.467 ( 0.638 0.822 3.899) 4.036 2.510 ( 2.763 2.882 0.753) 4.063 2.590 ( 1.538 -2.239 4.933) 5.631 2.682 ( -0.623 4.916 -0.729) 5.009 2.811 ( -0.375 0.126 -5.932) 5.945 3.048 ( 3.591 8.373 0.161) 9.112 3.188 ( -5.063 -4.449 1.068) 6.824 3.209 ( -5.644 -4.282 3.082) 7.725 3.347 ( -0.084 4.846 6.482) 8.093 3.370 ( -0.368 0.668 2.963) 3.060 3.449 ( -0.270 -3.544 3.003) 4.653 3.724 ( 1.485 -2.567 4.333) 5.251 3.839 ( 0.316 -1.741 1.396) 2.254 3.976 ( 1.675 -1.566 1.197) 2.587 4.006 ( 1.735 -2.993 -1.603) 3.813 4.159 ( 0.493 0.253 -1.520) 1.617 4.164 ( -3.401 0.257 -0.413) 3.436 4.232 ( 2.883 -0.246 0.008) 2.893 4.324 ( 0.354 0.213 -0.128) 0.433 4.412 ( 0.657 0.023 -0.921) 1.132 4.449 ( -1.309 3.903 -0.167) 4.120 4.534 ( -1.062 -2.053 -3.736) 4.393 4.672 ( 2.425 -0.000 5.781) 6.269 4.756 ( -0.749 -2.620 -3.895) 4.753 4.836 ( 1.127 3.111 -5.362) 6.301 5.085 ( 0.836 1.486 -2.657) 3.157 5.160 ( -1.212 0.787 -3.240) 3.548 5.310 ( -3.602 1.247 1.258) 4.014 5.433 ( -0.347 2.347 -1.164) 2.643 5.606 ( 2.711 -0.119 1.618) 3.159 5.697 ( 2.102 -4.325 0.487) 4.833 5.819 ( -3.950 -0.879 -1.436) 4.294 5.981 ( 0.316 0.359 2.201) 2.252 6.028 ( 5.529 -0.891 -2.753) 6.241 6.078 ( -2.628 -1.429 5.452) 6.219 6.179 ( -0.963 -1.516 0.148) 1.802 6.288 ( 1.595 0.063 -1.697) 2.329 6.481 ( -1.095 -4.394 -1.607) 4.805 6.497 ( 1.882 3.317 -2.740) 4.696 6.839 ( 1.514 -2.538 2.768) 4.049 7.043 ( 0.219 -2.587 -2.870) 3.870 7.142 ( -2.011 5.159 1.380) 5.707 7.277 ( 1.383 3.709 2.365) 4.611 7.521 ( 2.148 -1.550 -3.559) 4.437 7.678 ( -0.151 0.536 -3.296) 3.343 7.838 ( -3.660 2.747 -1.890) 4.951 7.976 ( 2.628 -0.352 -2.867) 3.905 8.221 ( -0.934 -1.191 1.036) 1.834 8.334 ( -0.473 0.468 1.125) 1.307 8.354 ( -1.695 -0.840 5.130) 5.468 8.469 ( -0.712 1.143 4.049) 4.267 8.536 ( 0.300 -3.340 0.747) 3.436 8.656 ( -0.440 2.040 2.041) 2.919 8.744 ( 0.804 1.378 -1.364) 2.099 8.758 ( -0.007 0.720 -0.808) 1.082 11.852 ( 0.178 -0.665 1.150) 1.340 11.895 ( -0.398 0.677 1.006) 1.277 11.956 ( -0.444 -1.103 -1.633) 2.020 12.014 ( 0.701 1.289 -0.673) 1.614 15.363 ( 0.877 -3.538 2.741) 4.561 15.413 ( -0.807 2.783 0.746) 2.993 15.595 ( 0.413 -3.658 -0.986) 3.811 15.661 ( 0.769 2.076 -1.009) 2.433 15.713 ( -1.257 1.075 2.740) 3.201 15.788 ( -1.065 1.061 1.769) 2.321 15.982 ( 0.274 0.408 -3.015) 3.055 16.035 ( 0.316 0.132 -3.282) 3.300 16.247 ( 0.696 -0.908 0.965) 1.497 16.340 ( -2.504 -0.342 -0.716) 2.627 16.451 ( 1.016 1.751 2.037) 2.872 16.499 ( 1.904 -2.879 0.004) 3.451 ======================= Grid point 83 (39/72) ======================= q-point: (-0.43 -0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( 1.570 -0.000 -0.154) 1.577 1.092 ( -3.375 0.000 -0.405) 3.399 1.327 ( -11.559 0.000 6.111) 13.074 1.335 ( -6.307 0.000 24.413) 25.215 1.459 ( 3.124 -0.000 0.353) 3.144 1.780 ( 6.078 -0.000 0.502) 6.099 1.935 ( -0.377 0.000 -7.959) 7.968 1.941 ( -2.164 0.000 -1.771) 2.797 2.026 ( -7.480 0.000 1.150) 7.568 2.215 ( -9.836 0.000 1.086) 9.896 2.333 ( 0.958 -0.000 -2.116) 2.322 2.382 ( -7.871 0.000 2.140) 8.157 2.436 ( 7.401 -0.000 -2.941) 7.964 2.473 ( 7.176 -0.000 -0.085) 7.177 2.595 ( 2.224 -0.000 -0.018) 2.224 2.746 ( -0.065 0.000 7.978) 7.978 2.855 ( -2.003 0.000 -2.199) 2.975 3.021 ( -2.056 0.000 -0.117) 2.059 3.083 ( -0.633 0.000 -3.216) 3.278 3.096 ( 0.897 -0.000 -1.238) 1.529 3.129 ( 1.347 -0.000 -1.791) 2.241 3.224 ( 1.327 -0.000 -2.260) 2.621 3.392 ( 4.997 -0.000 -0.284) 5.005 3.506 ( -0.150 0.000 -8.598) 8.600 3.565 ( -0.241 0.000 8.277) 8.281 3.875 ( -2.326 0.000 2.878) 3.701 3.885 ( -3.216 0.000 -1.402) 3.508 4.062 ( -1.245 0.000 0.211) 1.262 4.119 ( 3.376 -0.000 2.625) 4.276 4.152 ( 0.264 -0.000 7.853) 7.857 4.224 ( -4.160 0.000 -4.788) 6.343 4.338 ( 1.395 -0.000 -2.821) 3.147 4.431 ( -0.779 0.000 1.590) 1.770 4.474 ( 2.913 -0.000 -5.379) 6.117 4.476 ( 3.272 -0.000 1.135) 3.463 4.610 ( -4.010 0.000 3.418) 5.269 4.711 ( 3.647 -0.000 -3.308) 4.924 4.877 ( -0.942 0.000 0.983) 1.362 5.038 ( 3.285 -0.000 -4.987) 5.971 5.335 ( -1.428 0.000 -4.000) 4.248 5.407 ( -6.459 0.000 -2.090) 6.789 5.454 ( 4.187 -0.000 5.596) 6.989 5.553 ( -7.335 0.000 -3.267) 8.029 5.599 ( 3.769 -0.000 0.727) 3.838 5.714 ( 3.972 -0.000 -0.575) 4.013 5.895 ( 3.443 -0.000 2.106) 4.036 5.983 ( 5.042 -0.000 -2.423) 5.594 6.084 ( -0.848 0.000 7.179) 7.229 6.142 ( -0.118 0.000 -2.459) 2.462 6.200 ( 0.610 -0.000 1.002) 1.173 6.377 ( -3.159 0.000 0.268) 3.171 6.697 ( 1.724 -0.000 -4.811) 5.111 6.833 ( 1.005 -0.000 0.507) 1.125 6.862 ( 1.369 -0.000 -1.413) 1.967 7.305 ( 1.019 -0.000 -0.299) 1.062 7.448 ( -0.398 0.000 -5.321) 5.336 7.679 ( -5.015 0.000 1.914) 5.368 7.788 ( -6.033 0.000 -1.699) 6.268 7.830 ( 2.473 -0.000 1.998) 3.179 7.890 ( 0.991 -0.000 0.875) 1.322 8.206 ( 0.561 -0.000 -4.541) 4.575 8.312 ( 4.052 -0.000 -3.131) 5.121 8.339 ( 0.941 -0.000 4.949) 5.037 8.411 ( -0.476 0.000 4.566) 4.591 8.534 ( -1.298 0.000 7.869) 7.975 8.601 ( -0.585 0.000 1.758) 1.853 8.823 ( -0.040 0.000 -3.617) 3.617 8.899 ( -0.568 0.000 -2.853) 2.909 11.809 ( 0.848 -0.000 0.898) 1.235 11.906 ( -0.823 0.000 -2.498) 2.630 11.965 ( -1.098 0.000 1.720) 2.041 12.048 ( 1.077 -0.000 0.542) 1.206 15.288 ( -0.699 0.000 0.887) 1.129 15.291 ( 0.891 -0.000 1.118) 1.430 15.541 ( -0.598 0.000 2.873) 2.934 15.682 ( 0.285 -0.000 -0.550) 0.620 15.762 ( -0.208 0.000 2.053) 2.064 15.969 ( -0.091 0.000 -2.005) 2.007 16.020 ( -0.177 0.000 -2.772) 2.777 16.075 ( -0.275 0.000 -5.449) 5.456 16.247 ( 4.727 -0.000 6.084) 7.705 16.266 ( -3.414 0.000 0.150) 3.417 16.291 ( -3.316 0.000 3.533) 4.845 16.548 ( 3.898 -0.000 -1.032) 4.032 ======================= Grid point 84 (40/72) ======================= q-point: (-0.29 -0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( -7.124 0.276 3.923) 8.137 1.071 ( 0.465 -0.163 0.350) 0.604 1.174 ( -18.817 0.627 3.010) 19.066 1.344 ( -4.005 -3.480 12.124) 13.234 1.542 ( 2.494 -4.810 2.933) 6.161 1.817 ( 1.790 -1.866 -0.566) 2.647 1.851 ( -2.137 2.488 0.686) 3.351 1.983 ( -0.386 -2.784 -3.113) 4.194 2.038 ( -7.165 -8.068 4.943) 11.869 2.217 ( -2.019 -2.763 -1.303) 3.662 2.279 ( -4.980 1.832 -3.188) 6.191 2.327 ( -1.251 0.750 2.568) 2.953 2.484 ( 3.964 1.081 -3.088) 5.140 2.520 ( 4.646 1.187 1.608) 5.058 2.605 ( 3.434 1.713 -0.818) 3.924 2.715 ( -1.582 4.004 3.907) 5.814 2.840 ( -2.339 0.685 -2.756) 3.679 2.977 ( -1.153 7.252 -0.979) 7.408 3.037 ( 1.017 -1.239 -0.917) 1.846 3.116 ( -1.795 0.546 0.402) 1.919 3.149 ( -0.084 -1.879 0.371) 1.917 3.241 ( 2.179 -2.447 -1.105) 3.457 3.438 ( 0.095 0.891 -5.767) 5.837 3.464 ( 0.956 0.569 -2.261) 2.520 3.615 ( 2.792 -2.973 7.117) 8.202 3.839 ( 0.769 -0.256 0.990) 1.279 3.913 ( -1.579 -1.543 1.845) 2.878 4.014 ( 0.188 3.301 -1.641) 3.691 4.132 ( 0.287 -0.740 2.304) 2.437 4.159 ( -2.074 -0.161 -0.144) 2.086 4.221 ( -0.154 -1.919 0.648) 2.031 4.330 ( 0.591 1.983 -1.637) 2.639 4.390 ( 0.008 -0.060 -0.864) 0.866 4.516 ( -0.703 0.384 0.804) 1.135 4.530 ( 2.851 -0.778 0.413) 2.984 4.621 ( -0.238 -4.022 -0.506) 4.061 4.722 ( 1.647 1.459 -1.632) 2.739 4.869 ( -0.694 -0.574 -1.434) 1.693 5.063 ( 2.328 -0.646 -3.660) 4.385 5.280 ( -2.769 3.090 -3.678) 5.545 5.338 ( -5.380 1.033 -0.917) 5.554 5.482 ( -5.260 0.521 -2.725) 5.947 5.528 ( 4.219 -2.579 5.046) 7.065 5.636 ( 3.867 -0.353 0.837) 3.973 5.770 ( 1.079 -2.269 -1.033) 2.717 5.949 ( 5.632 -0.534 2.134) 6.046 6.026 ( 3.218 0.180 -0.953) 3.360 6.049 ( 1.520 1.412 0.525) 2.140 6.202 ( -0.906 -3.449 0.292) 3.578 6.208 ( 1.314 -0.355 2.295) 2.668 6.354 ( -1.966 -0.727 0.135) 2.100 6.650 ( 2.200 4.680 -3.037) 5.997 6.853 ( 2.150 2.067 -0.680) 3.059 6.904 ( 2.424 -4.104 -1.200) 4.916 7.338 ( 2.257 -0.997 0.590) 2.537 7.390 ( -1.157 4.052 -3.616) 5.552 7.568 ( -4.780 4.979 1.808) 7.135 7.715 ( -3.344 0.785 -2.434) 4.210 7.885 ( -1.769 -1.807 0.625) 2.605 7.926 ( 1.951 -1.684 -1.749) 3.115 8.194 ( -0.294 0.690 -5.131) 5.185 8.324 ( 1.425 0.745 2.769) 3.202 8.363 ( 1.209 -0.295 2.283) 2.600 8.421 ( 0.601 -0.938 5.336) 5.451 8.522 ( -1.853 0.785 5.554) 5.907 8.621 ( -0.639 -2.032 2.704) 3.442 8.806 ( -0.298 1.301 -3.493) 3.740 8.860 ( -0.943 2.612 -2.342) 3.632 11.823 ( 0.877 -0.464 1.086) 1.471 11.902 ( -0.788 -0.575 -2.378) 2.570 11.948 ( -1.157 0.741 1.498) 2.033 12.055 ( 1.080 0.483 0.241) 1.207 15.275 ( 0.338 -0.689 1.907) 2.056 15.368 ( 0.541 -5.136 -0.782) 5.223 15.530 ( -0.217 1.121 2.977) 3.189 15.688 ( 0.609 -0.235 -0.535) 0.844 15.755 ( -0.553 0.706 2.148) 2.328 15.906 ( -1.814 4.811 -0.652) 5.183 16.006 ( -0.446 0.660 -2.525) 2.647 16.061 ( -0.124 0.475 -5.447) 5.469 16.225 ( -1.830 0.104 1.269) 2.229 16.288 ( -2.725 -1.819 1.653) 3.670 16.344 ( 3.725 -3.176 5.437) 7.316 16.576 ( 5.692 1.732 -0.476) 5.968 ======================= Grid point 85 (41/72) ======================= q-point: (-0.14 -0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( -9.061 -9.494 1.202) 13.179 1.077 ( 0.821 0.326 0.359) 0.954 1.114 ( -8.852 -6.866 1.599) 11.317 1.405 ( -3.217 -4.913 7.012) 9.146 1.668 ( -0.277 -6.229 -0.264) 6.241 1.778 ( 2.457 2.094 -0.884) 3.347 1.895 ( -2.747 -3.303 -0.834) 4.377 2.029 ( 0.907 -1.985 -0.194) 2.191 2.126 ( 0.347 -1.110 2.063) 2.368 2.177 ( -8.211 -2.825 1.398) 8.795 2.247 ( 2.562 2.123 -7.076) 7.820 2.369 ( -0.717 -4.758 3.860) 6.169 2.454 ( 2.882 5.806 -0.930) 6.548 2.542 ( -0.260 -0.739 4.492) 4.560 2.568 ( 1.216 3.689 0.466) 3.912 2.607 ( 0.005 4.854 0.656) 4.898 2.774 ( -3.414 4.086 -3.300) 6.264 2.803 ( -2.711 5.598 -1.290) 6.353 3.037 ( -5.178 1.515 -2.380) 5.897 3.118 ( -0.247 -2.744 6.032) 6.632 3.158 ( 0.645 0.668 -1.884) 2.101 3.328 ( -0.336 -5.096 5.085) 7.207 3.423 ( 0.577 0.037 -2.880) 2.937 3.454 ( 1.134 2.182 -1.105) 2.697 3.721 ( 4.013 -3.106 5.592) 7.551 3.852 ( 2.238 2.537 0.829) 3.483 3.946 ( 1.189 -3.488 1.516) 3.985 3.987 ( 1.965 0.246 -1.345) 2.394 4.119 ( -3.282 -0.915 -0.213) 3.414 4.176 ( 1.371 -0.553 -0.322) 1.513 4.249 ( 1.548 -0.620 -0.633) 1.784 4.323 ( 0.649 -0.157 -1.424) 1.573 4.413 ( -0.064 -1.837 0.023) 1.838 4.456 ( -4.339 1.589 2.313) 5.168 4.533 ( 1.283 2.553 -3.788) 4.745 4.689 ( -2.209 -2.395 -6.348) 7.136 4.714 ( 3.933 0.072 8.526) 9.390 4.874 ( 0.684 0.693 -5.438) 5.525 5.098 ( 1.413 -1.623 -1.781) 2.794 5.174 ( -3.404 4.300 -4.310) 6.975 5.285 ( -3.433 0.034 0.389) 3.455 5.438 ( -2.541 0.104 -2.448) 3.530 5.609 ( 2.434 -1.457 3.604) 4.586 5.681 ( 2.392 -1.380 0.974) 2.928 5.792 ( 0.199 -0.115 -2.471) 2.481 6.000 ( 2.754 0.177 2.381) 3.645 6.035 ( -0.229 -1.151 4.149) 4.312 6.084 ( 6.121 0.462 -3.010) 6.837 6.167 ( -1.781 1.762 -0.390) 2.536 6.290 ( 1.682 -2.884 1.314) 3.588 6.380 ( -1.649 -3.635 -0.380) 4.009 6.581 ( 2.041 4.436 -2.986) 5.724 6.845 ( 2.979 0.587 1.502) 3.387 6.999 ( 2.746 -3.170 -2.328) 4.797 7.241 ( -2.799 6.916 0.553) 7.481 7.355 ( -0.824 3.769 2.096) 4.391 7.518 ( 2.942 -1.543 -3.066) 4.521 7.678 ( -1.469 0.642 -3.244) 3.618 7.852 ( -3.000 2.074 -0.875) 3.750 7.966 ( 0.243 -1.488 -2.644) 3.044 8.178 ( -1.627 -0.956 -2.152) 2.863 8.324 ( -0.822 -0.288 4.745) 4.824 8.371 ( 1.134 0.964 2.432) 2.851 8.478 ( 0.903 -3.279 3.538) 4.908 8.491 ( -1.068 1.297 3.916) 4.262 8.649 ( -1.637 -1.533 2.886) 3.655 8.760 ( -1.038 2.497 -3.272) 4.245 8.807 ( 0.398 2.099 -0.986) 2.352 11.843 ( 0.689 -0.783 1.288) 1.657 11.901 ( -0.638 0.075 -0.722) 0.967 11.931 ( -0.897 -0.252 -0.145) 0.943 12.047 ( 0.847 1.305 -0.366) 1.598 15.315 ( 0.502 -2.627 2.115) 3.410 15.444 ( 0.604 -0.370 -1.063) 1.277 15.529 ( 0.100 -2.492 1.454) 2.887 15.694 ( 0.967 0.600 -0.700) 1.336 15.730 ( -1.111 1.486 2.600) 3.194 15.809 ( -2.134 2.735 1.402) 3.741 15.988 ( -0.043 0.496 -2.808) 2.852 16.044 ( 0.489 0.670 -4.222) 4.302 16.227 ( -0.693 -1.303 0.467) 1.548 16.298 ( -2.550 -1.525 0.009) 2.971 16.426 ( 1.839 -2.100 4.650) 5.423 16.580 ( 5.742 3.650 -0.421) 6.817 ======================= Grid point 91 (42/72) ======================= q-point: (-0.29 -0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( -13.622 0.000 10.450) 17.169 1.007 ( -16.741 0.000 8.324) 18.697 1.113 ( -0.904 0.000 1.509) 1.759 1.294 ( -3.008 0.000 6.861) 7.491 1.519 ( 2.288 -0.000 -2.573) 3.443 1.596 ( -30.432 0.000 15.063) 33.956 1.800 ( -5.110 0.000 -7.996) 9.490 1.946 ( 1.568 -0.000 3.961) 4.260 2.000 ( 7.286 -0.000 -1.203) 7.385 2.227 ( -4.837 0.000 -1.112) 4.963 2.252 ( 7.290 -0.000 -2.128) 7.594 2.344 ( -0.439 0.000 2.676) 2.712 2.541 ( 4.899 -0.000 -2.202) 5.371 2.564 ( 1.617 -0.000 -0.290) 1.642 2.656 ( 2.962 -0.000 1.797) 3.464 2.750 ( -0.696 0.000 2.013) 2.130 2.840 ( 0.364 -0.000 0.793) 0.873 2.992 ( -0.864 0.000 -0.407) 0.955 3.063 ( -0.778 0.000 -3.089) 3.186 3.112 ( 0.703 -0.000 -0.458) 0.839 3.137 ( -0.626 0.000 2.032) 2.127 3.232 ( 0.653 -0.000 -3.748) 3.804 3.446 ( 0.020 -0.000 -3.594) 3.594 3.478 ( -0.037 0.000 -11.157) 11.157 3.611 ( 2.062 -0.000 9.021) 9.254 3.856 ( 1.261 -0.000 1.629) 2.060 3.864 ( 0.662 -0.000 0.734) 0.988 4.038 ( -0.800 0.000 -0.310) 0.858 4.122 ( -4.135 0.000 -4.466) 6.086 4.149 ( -0.784 0.000 -2.059) 2.203 4.187 ( 1.071 -0.000 10.022) 10.079 4.363 ( 1.948 -0.000 -1.573) 2.504 4.393 ( -3.487 0.000 -0.627) 3.543 4.524 ( 3.827 -0.000 -6.724) 7.736 4.529 ( -4.439 0.000 2.955) 5.332 4.568 ( 4.399 -0.000 1.094) 4.533 4.774 ( 3.470 -0.000 -2.632) 4.356 4.841 ( -2.512 0.000 0.856) 2.654 5.065 ( 0.450 -0.000 -4.536) 4.558 5.280 ( -3.118 0.000 -1.690) 3.547 5.316 ( -2.817 0.000 -2.078) 3.500 5.435 ( -4.321 0.000 -4.285) 6.085 5.552 ( 4.261 -0.000 7.687) 8.789 5.651 ( 1.451 -0.000 3.746) 4.017 5.769 ( 2.756 -0.000 -0.255) 2.768 6.010 ( 6.809 -0.000 2.737) 7.338 6.054 ( 2.850 -0.000 -4.484) 5.313 6.087 ( -0.099 0.000 3.925) 3.926 6.138 ( 0.786 -0.000 -2.069) 2.213 6.246 ( 3.797 -0.000 2.319) 4.449 6.324 ( -2.619 0.000 1.181) 2.873 6.721 ( 2.016 -0.000 -4.376) 4.818 6.879 ( 4.068 -0.000 0.021) 4.068 6.908 ( 3.794 -0.000 -1.642) 4.134 7.338 ( 2.419 -0.000 -0.665) 2.509 7.407 ( -3.338 0.000 -3.589) 4.901 7.596 ( -3.756 0.000 1.546) 4.062 7.633 ( -8.705 0.000 0.546) 8.722 7.887 ( 3.454 -0.000 -1.804) 3.897 7.917 ( 0.354 -0.000 -0.550) 0.654 8.193 ( -0.617 0.000 -3.759) 3.810 8.360 ( 0.882 -0.000 -0.801) 1.191 8.365 ( 0.373 -0.000 3.790) 3.808 8.421 ( 0.174 -0.000 2.762) 2.767 8.531 ( -0.705 0.000 7.215) 7.249 8.602 ( 1.180 -0.000 4.525) 4.676 8.813 ( -0.172 0.000 -3.468) 3.472 8.868 ( -1.822 0.000 -2.921) 3.443 11.828 ( 0.849 -0.000 1.052) 1.352 11.887 ( -0.554 0.000 -2.370) 2.434 11.947 ( -1.214 0.000 1.566) 1.982 12.068 ( 0.902 -0.000 0.343) 0.965 15.278 ( -0.548 0.000 0.517) 0.754 15.310 ( 0.763 -0.000 1.174) 1.400 15.546 ( 0.154 -0.000 3.277) 3.281 15.687 ( 0.517 -0.000 -0.757) 0.917 15.760 ( -0.545 0.000 1.970) 2.044 15.955 ( -0.907 0.000 -1.954) 2.154 16.002 ( -0.878 0.000 -2.103) 2.279 16.036 ( -2.351 0.000 -7.235) 7.607 16.201 ( -2.980 0.000 -0.855) 3.100 16.246 ( -2.325 0.000 1.833) 2.961 16.387 ( 8.638 -0.000 12.670) 15.334 16.645 ( 6.131 -0.000 -0.068) 6.131 ======================= Grid point 92 (43/72) ======================= q-point: (-0.14 -0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( -21.407 0.686 10.279) 23.757 0.895 ( -12.813 -7.554 8.165) 16.968 1.117 ( 2.470 1.028 0.039) 2.676 1.318 ( -2.420 -3.218 5.120) 6.514 1.565 ( -1.436 -5.590 -1.525) 5.970 1.605 ( -18.903 -17.225 12.961) 28.671 1.752 ( -6.169 -2.841 -8.126) 10.591 1.990 ( 0.732 -2.823 7.177) 7.747 2.053 ( 3.708 -0.455 -1.127) 3.902 2.161 ( 1.449 4.213 -0.563) 4.491 2.302 ( 0.053 2.466 0.314) 2.487 2.364 ( 6.361 -1.239 -0.190) 6.484 2.537 ( 1.991 2.053 -1.803) 3.381 2.558 ( 0.224 2.057 2.192) 3.015 2.651 ( 1.491 2.466 1.467) 3.233 2.683 ( -2.841 5.157 1.343) 6.039 2.809 ( -1.429 3.602 -0.245) 3.883 2.950 ( -0.874 7.745 -4.087) 8.801 3.059 ( 1.641 -0.859 -1.831) 2.605 3.089 ( -2.028 0.684 3.793) 4.355 3.145 ( -0.347 -1.361 -0.302) 1.437 3.250 ( -1.262 -1.756 1.017) 2.389 3.418 ( 0.836 -0.209 -8.241) 8.286 3.462 ( -0.397 -0.458 -5.542) 5.575 3.683 ( 1.707 -3.937 6.882) 8.110 3.898 ( 3.530 -3.022 1.193) 4.798 3.921 ( 2.667 -0.486 2.273) 3.538 4.011 ( 0.098 1.083 -1.388) 1.763 4.095 ( -2.064 1.022 -3.242) 3.976 4.130 ( -0.562 -2.561 0.246) 2.634 4.262 ( 2.518 -2.418 6.451) 7.335 4.331 ( -1.627 1.202 -2.424) 3.158 4.361 ( -1.263 0.247 -2.436) 2.755 4.476 ( -3.546 2.196 4.362) 6.035 4.586 ( 3.221 0.717 -4.039) 5.216 4.605 ( -0.953 -3.061 -7.742) 8.379 4.771 ( 2.496 1.430 6.609) 7.208 4.861 ( 1.098 -2.140 -3.381) 4.149 5.066 ( -1.181 -1.242 -4.385) 4.708 5.222 ( -2.440 3.390 -2.488) 4.862 5.266 ( -2.690 1.486 -1.090) 3.261 5.411 ( -1.534 -0.714 -3.959) 4.306 5.616 ( 3.187 -1.692 6.150) 7.130 5.666 ( -0.873 -0.260 4.339) 4.434 5.804 ( 3.470 -0.462 -0.972) 3.633 6.024 ( 1.053 0.698 1.722) 2.136 6.062 ( 2.071 2.469 0.463) 3.256 6.126 ( 5.301 -2.748 -1.851) 6.252 6.191 ( 0.499 -0.874 0.600) 1.171 6.242 ( 1.222 0.650 2.121) 2.532 6.336 ( -0.089 -1.440 1.458) 2.051 6.681 ( 1.687 4.435 -3.313) 5.787 6.909 ( 4.216 2.265 -0.905) 4.870 6.972 ( 5.144 -3.410 -0.637) 6.204 7.319 ( -4.472 4.392 -0.083) 6.268 7.392 ( 0.070 -0.198 -1.604) 1.618 7.502 ( -0.779 -0.049 -0.069) 0.784 7.641 ( -3.276 -2.701 -1.400) 4.471 7.873 ( -0.245 2.566 -1.845) 3.170 7.938 ( 0.248 -0.991 -0.536) 1.154 8.168 ( -1.210 1.304 -4.702) 5.027 8.339 ( -0.684 1.647 4.675) 5.004 8.374 ( -1.179 -1.474 0.985) 2.129 8.433 ( -1.205 -1.033 1.201) 1.991 8.527 ( 1.477 1.043 7.098) 7.325 8.622 ( 0.167 0.447 5.513) 5.533 8.791 ( -0.348 1.679 -3.230) 3.657 8.831 ( -1.302 1.285 -2.192) 2.855 11.839 ( 0.421 -0.399 0.896) 1.067 11.886 ( -0.227 -0.618 -2.051) 2.154 11.932 ( -0.907 0.674 1.684) 2.028 12.072 ( 0.691 0.554 -0.232) 0.916 15.282 ( 0.004 -1.339 1.097) 1.730 15.385 ( 1.536 -5.505 -1.278) 5.856 15.536 ( -0.010 1.576 3.354) 3.706 15.700 ( 0.904 -0.621 -0.574) 1.238 15.749 ( -0.646 0.953 2.114) 2.407 15.859 ( -3.269 5.266 0.146) 6.200 15.989 ( -0.566 0.193 -2.396) 2.469 16.039 ( -0.525 -1.323 -6.430) 6.586 16.189 ( -1.658 -1.303 -0.643) 2.205 16.245 ( -2.081 -1.594 0.740) 2.724 16.469 ( 7.063 2.095 11.701) 13.827 16.692 ( 6.916 1.692 0.279) 7.126 ======================= Grid point 99 (44/72) ======================= q-point: (-0.14 -0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( -22.708 0.000 10.354) 24.957 0.669 ( -20.036 0.000 17.205) 26.409 1.045 ( -22.255 0.000 22.108) 31.370 1.151 ( 2.369 -0.000 -0.096) 2.371 1.358 ( -2.345 0.000 15.829) 16.002 1.536 ( 1.451 -0.000 -6.762) 6.916 1.638 ( -7.786 0.000 -11.137) 13.589 2.019 ( 4.727 -0.000 6.660) 8.167 2.054 ( -0.130 0.000 -1.424) 1.430 2.247 ( 3.217 -0.000 2.603) 4.138 2.359 ( 3.011 -0.000 2.258) 3.764 2.390 ( 7.459 -0.000 -1.917) 7.701 2.554 ( -2.119 0.000 0.706) 2.233 2.594 ( 0.835 -0.000 3.188) 3.295 2.701 ( 0.164 -0.000 -3.408) 3.412 2.715 ( -2.684 0.000 -1.330) 2.995 2.835 ( -2.174 0.000 3.770) 4.352 2.994 ( 1.456 -0.000 -1.054) 1.798 3.038 ( -1.282 0.000 -1.834) 2.237 3.112 ( -0.606 0.000 -0.199) 0.638 3.124 ( -1.076 0.000 1.656) 1.975 3.237 ( 1.053 -0.000 -4.840) 4.953 3.383 ( -3.611 0.000 -5.345) 6.451 3.456 ( 1.547 -0.000 -15.698) 15.774 3.661 ( 0.712 -0.000 8.712) 8.741 3.884 ( 0.404 -0.000 2.404) 2.438 3.932 ( 4.204 -0.000 0.749) 4.270 4.042 ( 1.419 -0.000 1.437) 2.019 4.065 ( -0.345 0.000 -3.337) 3.354 4.124 ( -0.894 0.000 -2.180) 2.356 4.247 ( 3.083 -0.000 10.705) 11.140 4.295 ( -6.689 0.000 -3.746) 7.666 4.385 ( 0.797 -0.000 -3.003) 3.107 4.480 ( -0.819 0.000 7.460) 7.504 4.571 ( 3.354 -0.000 -8.808) 9.424 4.603 ( 0.070 -0.000 -7.497) 7.498 4.812 ( 1.255 -0.000 -2.165) 2.502 4.837 ( 1.038 -0.000 8.800) 8.861 5.030 ( -2.265 0.000 -5.392) 5.849 5.233 ( -1.996 0.000 -1.527) 2.513 5.281 ( -0.790 0.000 -4.418) 4.488 5.369 ( -2.008 0.000 -2.379) 3.113 5.622 ( 1.114 -0.000 6.228) 6.326 5.672 ( -0.672 0.000 6.231) 6.267 5.840 ( 4.871 -0.000 2.294) 5.384 6.057 ( -1.763 0.000 4.130) 4.490 6.069 ( 0.560 -0.000 -4.672) 4.705 6.149 ( 4.721 -0.000 -0.782) 4.785 6.200 ( 7.205 -0.000 0.774) 7.246 6.297 ( -0.900 0.000 4.463) 4.553 6.318 ( 3.167 -0.000 1.630) 3.562 6.735 ( 0.193 -0.000 -4.750) 4.753 6.976 ( 3.848 -0.000 -1.559) 4.151 6.977 ( 6.144 -0.000 0.438) 6.160 7.309 ( -6.180 0.000 0.514) 6.201 7.362 ( -0.631 0.000 -2.362) 2.444 7.513 ( -3.565 0.000 1.746) 3.970 7.556 ( -1.340 0.000 0.679) 1.503 7.903 ( -1.375 0.000 1.322) 1.908 7.946 ( 4.082 -0.000 -4.504) 6.078 8.173 ( -0.544 0.000 -2.318) 2.381 8.301 ( -7.756 0.000 -0.951) 7.814 8.361 ( -1.233 0.000 0.919) 1.538 8.421 ( -0.143 0.000 0.247) 0.286 8.550 ( 0.400 -0.000 6.829) 6.840 8.710 ( 8.492 -0.000 5.658) 10.204 8.802 ( 0.118 -0.000 -3.075) 3.077 8.827 ( -1.541 0.000 -2.912) 3.295 11.837 ( -0.220 0.000 0.164) 0.275 11.877 ( 0.110 -0.000 -1.912) 1.915 11.935 ( -0.384 0.000 2.271) 2.304 12.080 ( 0.277 -0.000 -0.141) 0.311 15.272 ( -0.238 0.000 0.315) 0.394 15.319 ( -0.073 0.000 0.479) 0.485 15.568 ( 1.769 -0.000 4.402) 4.744 15.696 ( 0.580 -0.000 -0.745) 0.944 15.755 ( -0.405 0.000 2.000) 2.040 15.927 ( -1.330 0.000 -2.390) 2.735 15.945 ( -6.019 0.000 -6.768) 9.057 15.986 ( -0.316 0.000 -1.406) 1.441 16.163 ( -0.911 0.000 -0.582) 1.081 16.214 ( -1.595 0.000 0.740) 1.758 16.664 ( 18.817 -0.000 16.617) 25.104 16.748 ( 4.451 -0.000 1.103) 4.586 ======================= Grid point 100 (45/72) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( 3.442 -0.000 21.454) 21.729 0.926 ( -4.372 0.000 21.207) 21.653 1.144 ( -1.870 0.000 3.415) 3.894 1.168 ( -3.482 0.000 -1.998) 4.015 1.222 ( 4.181 -0.000 -16.592) 17.111 1.323 ( 3.284 -0.000 -15.974) 16.308 1.835 ( -1.655 0.000 22.402) 22.463 2.012 ( -1.026 0.000 -2.812) 2.993 2.214 ( -4.446 0.000 13.130) 13.862 2.329 ( -1.801 0.000 1.644) 2.439 2.455 ( -1.157 0.000 0.779) 1.395 2.483 ( 7.004 -0.000 0.571) 7.027 2.527 ( -5.065 0.000 -0.103) 5.066 2.561 ( -1.212 0.000 2.290) 2.591 2.660 ( 3.089 -0.000 -1.438) 3.407 2.817 ( -0.688 0.000 10.927) 10.949 2.884 ( -2.032 0.000 5.443) 5.810 2.901 ( 4.315 -0.000 -25.688) 26.048 2.976 ( 1.604 -0.000 -3.676) 4.011 3.016 ( 0.580 -0.000 -9.035) 9.054 3.075 ( 1.622 -0.000 -0.582) 1.723 3.092 ( -2.270 0.000 -1.018) 2.488 3.228 ( -2.466 0.000 0.132) 2.469 3.288 ( 3.594 -0.000 -4.385) 5.670 3.851 ( -2.140 0.000 9.508) 9.746 3.980 ( 2.596 -0.000 -1.401) 2.950 3.996 ( -0.028 0.000 4.060) 4.060 4.037 ( 2.850 -0.000 1.911) 3.432 4.079 ( 0.531 -0.000 -2.149) 2.214 4.114 ( -0.512 0.000 1.358) 1.451 4.168 ( -2.795 0.000 -2.322) 3.634 4.246 ( -1.112 0.000 -8.208) 8.283 4.300 ( -2.044 0.000 2.597) 3.304 4.411 ( 1.327 -0.000 -8.231) 8.337 4.551 ( -0.728 0.000 7.295) 7.332 4.709 ( 0.820 -0.000 -8.379) 8.419 4.767 ( 7.714 -0.000 4.876) 9.126 4.865 ( -5.209 0.000 -5.171) 7.340 5.035 ( -3.821 0.000 6.263) 7.336 5.112 ( 0.807 -0.000 -3.702) 3.789 5.213 ( 1.401 -0.000 2.289) 2.684 5.297 ( -0.574 0.000 -4.758) 4.793 5.777 ( -1.218 0.000 8.936) 9.019 5.810 ( -1.809 0.000 7.776) 7.984 5.936 ( 2.136 -0.000 -3.323) 3.951 5.949 ( 1.531 -0.000 -7.685) 7.836 6.104 ( -1.823 0.000 2.440) 3.046 6.176 ( -0.259 0.000 -5.072) 5.079 6.204 ( -0.831 0.000 7.106) 7.154 6.338 ( 0.766 -0.000 -5.734) 5.785 6.481 ( 2.348 -0.000 7.782) 8.129 6.612 ( -1.160 0.000 -6.153) 6.262 7.097 ( -0.081 0.000 1.994) 1.996 7.124 ( 4.186 -0.000 -0.773) 4.256 7.230 ( -1.848 0.000 1.484) 2.371 7.272 ( 1.539 -0.000 -2.934) 3.313 7.517 ( -1.155 0.000 1.320) 1.754 7.536 ( -0.315 0.000 -0.627) 0.702 7.974 ( 0.158 -0.000 3.254) 3.258 8.002 ( 4.860 -0.000 0.185) 4.864 8.106 ( -8.618 0.000 -1.100) 8.688 8.120 ( 3.795 -0.000 -2.793) 4.712 8.375 ( -2.682 0.000 3.756) 4.616 8.425 ( 1.252 -0.000 -0.873) 1.527 8.666 ( -1.843 0.000 5.169) 5.487 8.737 ( -1.017 0.000 -1.468) 1.785 8.756 ( -0.476 0.000 -3.328) 3.362 8.759 ( 2.265 -0.000 -2.394) 3.295 11.827 ( -1.264 0.000 0.860) 1.528 11.852 ( 1.261 -0.000 -1.610) 2.045 12.004 ( 0.647 -0.000 3.090) 3.157 12.053 ( -0.702 0.000 -1.943) 2.066 15.286 ( 0.847 -0.000 0.762) 1.139 15.300 ( -1.148 0.000 -0.655) 1.322 15.664 ( 1.561 -0.000 0.713) 1.717 15.682 ( -0.254 0.000 -1.093) 1.122 15.804 ( -1.377 0.000 2.414) 2.779 15.855 ( 0.704 -0.000 -2.926) 3.009 15.863 ( -0.085 0.000 3.854) 3.855 15.935 ( -0.040 0.000 -3.429) 3.429 16.174 ( 1.655 -0.000 0.609) 1.763 16.185 ( -1.650 0.000 -0.461) 1.713 16.846 ( 0.547 -0.000 3.025) 3.074 16.902 ( -1.655 0.000 -2.761) 3.219 ======================= Grid point 101 (46/72) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( 2.824 -1.768 14.495) 14.873 1.001 ( 9.381 -9.710 16.119) 21.027 1.109 ( -2.273 1.267 -3.115) 4.059 1.234 ( 0.832 -5.655 -1.301) 5.862 1.244 ( 2.510 -3.385 -11.137) 11.907 1.482 ( 9.354 -9.958 -11.975) 18.168 1.858 ( -1.191 -0.390 15.943) 15.993 1.977 ( -2.097 1.709 -4.110) 4.920 2.238 ( -4.787 -5.052 15.513) 17.002 2.273 ( -4.590 3.899 1.140) 6.129 2.339 ( -1.944 6.109 -1.310) 6.544 2.405 ( -1.341 4.400 -1.710) 4.907 2.551 ( 0.150 1.048 2.655) 2.858 2.603 ( -2.327 -1.781 4.520) 5.387 2.652 ( 2.036 2.995 -1.195) 3.813 2.755 ( 0.837 6.504 5.961) 8.862 2.841 ( -0.962 1.735 4.800) 5.194 2.892 ( 4.703 6.616 -4.347) 9.208 2.979 ( 2.765 3.507 -5.760) 7.288 3.006 ( 2.824 -5.041 -19.246) 20.094 3.101 ( -0.619 -2.566 -1.693) 3.136 3.143 ( 2.639 -4.228 -0.569) 5.016 3.274 ( -2.017 -6.950 4.363) 8.451 3.412 ( 1.790 -7.623 -4.677) 9.121 3.845 ( -2.188 -0.487 7.991) 8.300 3.996 ( 0.345 0.417 0.577) 0.791 4.012 ( 1.392 0.210 -3.867) 4.115 4.041 ( 1.076 1.395 0.737) 1.910 4.084 ( 1.526 -0.817 4.683) 4.992 4.131 ( -1.304 -1.926 -3.461) 4.170 4.173 ( 0.396 -2.125 1.138) 2.443 4.229 ( -1.146 -0.482 -5.895) 6.025 4.326 ( -1.321 -3.383 1.764) 4.038 4.423 ( 0.712 -1.108 -6.443) 6.577 4.534 ( -0.481 1.956 7.691) 7.950 4.695 ( 0.957 1.078 -7.306) 7.447 4.740 ( -3.126 5.077 1.842) 6.240 4.853 ( 2.211 -0.470 -3.892) 4.500 5.014 ( -4.038 -0.745 3.952) 5.699 5.110 ( 2.561 0.720 -0.947) 2.824 5.222 ( 1.617 0.174 3.482) 3.843 5.287 ( -0.476 -0.288 -5.935) 5.961 5.750 ( -3.326 2.754 7.392) 8.561 5.805 ( 0.334 -0.631 5.982) 6.024 5.900 ( -0.477 2.654 -3.741) 4.612 5.967 ( 0.518 -0.760 -6.967) 7.027 6.093 ( -2.403 -0.024 3.202) 4.003 6.157 ( -1.780 0.292 -2.667) 3.220 6.229 ( -1.234 -3.203 6.287) 7.163 6.344 ( -0.659 -1.481 -3.348) 3.720 6.472 ( 1.946 4.079 6.048) 7.550 6.550 ( -0.942 4.503 -7.210) 8.553 7.060 ( -7.316 2.824 -0.730) 7.876 7.083 ( -4.057 -1.334 0.144) 4.273 7.243 ( 5.871 3.226 0.896) 6.759 7.283 ( 6.289 3.232 -2.064) 7.366 7.525 ( -0.300 -0.642 0.453) 0.841 7.563 ( -0.047 -2.878 -1.771) 3.379 7.867 ( -2.184 5.690 2.160) 6.466 7.984 ( 4.546 4.752 -3.191) 7.310 8.132 ( -2.926 -6.264 1.244) 7.025 8.214 ( 3.482 -2.946 -0.197) 4.565 8.404 ( -1.735 -4.582 2.964) 5.726 8.451 ( 1.331 -1.115 1.059) 2.034 8.632 ( -3.021 2.551 4.029) 5.645 8.692 ( -1.766 1.215 2.915) 3.618 8.741 ( 1.260 1.393 -3.106) 3.630 8.773 ( 1.093 0.412 -3.052) 3.268 11.825 ( -1.135 -0.797 0.934) 1.672 11.871 ( 1.461 -0.931 -1.537) 2.316 12.002 ( 0.463 1.175 2.993) 3.249 12.033 ( -0.800 1.051 -2.157) 2.529 15.299 ( -0.846 -1.816 1.728) 2.646 15.348 ( 0.822 -4.123 -2.196) 4.743 15.647 ( 0.485 2.537 1.608) 3.043 15.669 ( -0.389 0.910 -1.736) 1.998 15.792 ( -1.486 0.231 3.879) 4.160 15.859 ( 0.410 0.178 2.942) 2.975 15.894 ( 2.501 -1.143 -3.187) 4.210 15.934 ( 0.681 -0.207 -4.076) 4.138 16.184 ( -1.093 -1.533 -0.371) 1.919 16.207 ( 2.041 -1.472 0.440) 2.555 16.752 ( -4.604 7.364 4.657) 9.855 16.807 ( -4.196 5.147 -1.532) 6.814 ======================= Grid point 102 (47/72) ======================= q-point: ( 0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( 4.419 -3.292 3.834) 6.714 1.067 ( 0.075 -0.224 -2.646) 2.657 1.278 ( -0.392 -11.267 10.179) 15.189 1.342 ( 2.075 -7.941 -12.636) 15.068 1.438 ( 7.261 -10.822 8.388) 15.498 1.748 ( 9.290 -9.254 -10.939) 17.076 1.847 ( 0.063 3.058 6.533) 7.214 1.932 ( 1.414 0.301 -3.924) 4.182 2.122 ( -4.178 5.816 -1.629) 7.344 2.174 ( -4.805 5.377 0.477) 7.227 2.332 ( -1.921 2.167 -0.162) 2.900 2.373 ( -3.592 -4.333 6.647) 8.709 2.473 ( 0.715 7.347 1.835) 7.606 2.554 ( -1.785 0.919 2.500) 3.206 2.595 ( 1.725 4.192 -1.191) 4.687 2.689 ( 3.679 4.681 0.803) 6.008 2.770 ( -0.065 4.704 7.197) 8.598 2.800 ( -2.603 5.844 -2.585) 6.900 2.968 ( 4.415 0.133 4.264) 6.139 3.126 ( 1.955 -7.143 -5.406) 9.169 3.173 ( 2.060 -4.682 -5.095) 7.219 3.255 ( 1.814 -4.992 -1.857) 5.627 3.382 ( -2.863 -4.773 4.760) 7.324 3.529 ( -0.403 -4.517 -2.649) 5.252 3.853 ( -2.356 -1.499 5.452) 6.126 3.950 ( -1.065 4.346 -1.031) 4.592 3.987 ( -1.223 -0.117 -0.567) 1.353 4.056 ( 2.620 -0.288 -3.414) 4.313 4.127 ( -0.304 -0.524 1.433) 1.555 4.145 ( -1.102 -0.421 0.737) 1.391 4.200 ( 0.780 -2.155 -1.251) 2.611 4.259 ( 1.695 -2.372 -1.796) 3.424 4.380 ( -1.249 -2.183 1.259) 2.813 4.423 ( -1.367 0.167 -1.160) 1.800 4.509 ( -0.001 1.058 5.901) 5.995 4.654 ( 0.179 1.267 1.421) 1.913 4.670 ( 0.686 1.643 -6.906) 7.132 4.853 ( 2.132 1.437 -4.323) 5.029 4.994 ( -3.110 0.116 2.526) 4.009 5.131 ( 3.182 0.332 -1.231) 3.427 5.263 ( 2.065 -1.816 2.011) 3.407 5.294 ( 0.643 -1.906 -4.050) 4.522 5.688 ( -1.462 1.478 4.202) 4.689 5.794 ( 0.064 3.339 -1.891) 3.837 5.885 ( -2.001 -3.241 3.435) 5.128 5.924 ( -4.441 3.060 -3.465) 6.411 6.092 ( -1.201 -1.332 2.267) 2.890 6.132 ( -1.789 -0.659 -2.302) 2.989 6.305 ( -0.742 -3.098 5.019) 5.944 6.334 ( -0.436 2.645 -0.283) 2.696 6.396 ( 0.917 6.158 1.165) 6.334 6.464 ( 0.415 0.565 -6.737) 6.773 6.956 ( -6.134 0.952 1.371) 6.357 7.066 ( -4.124 -0.774 -2.585) 4.928 7.198 ( 3.126 6.167 0.849) 6.966 7.278 ( 5.926 2.376 1.484) 6.555 7.504 ( -0.371 1.934 -2.967) 3.561 7.609 ( 1.455 -0.865 -1.763) 2.444 7.788 ( -1.845 1.127 1.328) 2.538 7.960 ( 3.714 1.762 -2.129) 4.629 8.215 ( -1.744 -4.971 -2.822) 5.976 8.280 ( 3.140 -1.014 4.256) 5.385 8.465 ( -2.353 -2.077 1.628) 3.535 8.487 ( -0.038 -1.473 2.558) 2.952 8.562 ( -2.097 0.917 2.550) 3.427 8.670 ( 0.752 1.714 2.876) 3.432 8.731 ( 0.800 0.459 -1.326) 1.616 8.761 ( 0.521 0.877 -2.712) 2.897 11.837 ( -0.900 -1.366 1.133) 1.990 11.906 ( 1.475 -1.557 -1.539) 2.639 11.980 ( 0.065 1.739 2.467) 3.019 11.997 ( -0.578 1.744 -2.037) 2.743 15.337 ( -1.327 -2.885 2.240) 3.886 15.433 ( 1.383 -3.794 -3.156) 5.125 15.599 ( -0.725 2.380 2.603) 3.601 15.644 ( -0.033 1.412 -1.277) 1.904 15.783 ( -0.574 0.210 4.370) 4.413 15.859 ( 0.007 0.553 4.013) 4.051 15.913 ( 1.002 0.254 -3.900) 4.035 15.946 ( 1.730 -0.138 -5.656) 5.916 16.223 ( 0.161 -3.035 -0.684) 3.115 16.257 ( 1.853 -1.671 0.273) 2.510 16.585 ( -4.611 5.894 5.321) 9.183 16.662 ( -3.681 5.552 -2.219) 7.021 ======================= Grid point 103 (48/72) ======================= q-point: ( 0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 0.133 -0.720 0.360) 0.816 1.112 ( 0.889 0.013 -1.625) 1.852 1.461 ( 0.934 -4.752 -0.709) 4.894 1.514 ( 0.840 -9.232 2.138) 9.514 1.661 ( 0.924 -3.131 12.425) 12.847 1.772 ( -0.941 -0.218 -4.447) 4.551 1.916 ( 8.162 -1.759 -9.114) 12.361 1.961 ( -5.900 5.481 -0.685) 8.082 2.031 ( 8.686 -3.869 -2.078) 9.733 2.084 ( -3.068 0.094 -2.523) 3.973 2.234 ( -3.802 7.647 -3.293) 9.153 2.282 ( -2.320 1.503 -0.733) 2.860 2.477 ( 2.104 0.913 4.964) 5.468 2.536 ( -1.547 0.723 2.594) 3.106 2.560 ( 3.385 1.891 -1.410) 4.126 2.629 ( -0.490 1.225 -0.135) 1.326 2.687 ( -2.823 1.397 1.651) 3.556 2.733 ( 0.874 1.174 1.208) 1.898 2.995 ( 0.602 -0.869 1.791) 2.080 3.250 ( -1.566 -1.484 3.395) 4.022 3.289 ( 5.919 -3.947 0.500) 7.132 3.345 ( 0.689 -4.143 -2.897) 5.102 3.386 ( -3.730 -0.119 4.280) 5.679 3.556 ( -1.282 0.790 -0.106) 1.510 3.845 ( -1.248 0.866 3.346) 3.674 3.886 ( -1.570 0.863 2.020) 2.700 3.975 ( -1.066 -0.081 -2.116) 2.371 4.060 ( -1.995 2.253 -2.155) 3.701 4.115 ( 2.842 -1.662 -1.023) 3.448 4.156 ( -0.010 0.104 3.046) 3.048 4.260 ( 2.044 -1.440 0.743) 2.609 4.307 ( 0.842 -1.239 -2.814) 3.188 4.382 ( 0.875 0.081 1.296) 1.566 4.404 ( -4.358 -1.488 2.929) 5.458 4.525 ( 2.494 0.147 0.681) 2.590 4.622 ( -0.097 2.474 -8.796) 9.138 4.678 ( 0.053 -2.066 0.669) 2.172 4.864 ( 3.387 -0.298 0.698) 3.470 4.955 ( -3.073 0.690 -1.091) 3.333 5.135 ( 1.669 1.298 -3.056) 3.717 5.301 ( 0.121 -1.224 0.417) 1.298 5.365 ( 2.437 -2.687 -0.300) 3.640 5.681 ( 0.773 0.744 2.020) 2.287 5.730 ( -0.565 0.951 -2.601) 2.827 5.801 ( -5.027 3.700 -0.198) 6.245 5.954 ( -0.475 -3.991 3.220) 5.150 6.081 ( -1.734 -0.016 0.113) 1.738 6.184 ( -0.356 -4.810 -2.646) 5.501 6.223 ( -0.222 5.543 3.545) 6.584 6.266 ( 0.601 6.447 0.823) 6.527 6.395 ( 1.025 -2.602 -2.594) 3.814 6.477 ( -0.189 -0.424 -2.538) 2.580 6.930 ( -3.118 -2.149 3.267) 5.002 7.036 ( -1.275 1.010 -3.760) 4.097 7.108 ( 1.582 4.424 1.116) 4.829 7.301 ( 1.806 -0.279 2.436) 3.045 7.464 ( 0.955 1.624 -4.039) 4.457 7.620 ( 0.368 -0.028 -1.258) 1.311 7.773 ( -0.762 -0.282 -0.191) 0.834 7.965 ( 1.391 0.507 -1.387) 2.029 8.257 ( -1.108 -0.702 -1.335) 1.872 8.339 ( 2.839 -2.138 3.900) 5.276 8.447 ( -2.947 0.805 1.437) 3.376 8.482 ( 0.152 0.754 2.246) 2.374 8.588 ( -1.174 -2.907 -0.110) 3.137 8.650 ( 1.263 1.463 2.677) 3.302 8.710 ( -0.945 1.275 -2.257) 2.759 8.767 ( 1.195 -0.440 -0.016) 1.274 11.860 ( -0.420 -1.534 1.299) 2.053 11.939 ( 0.608 0.309 0.407) 0.794 11.951 ( 0.000 1.557 -1.023) 1.864 11.964 ( -0.133 -0.100 -0.781) 0.798 15.378 ( -1.054 -2.289 1.588) 2.979 15.477 ( 0.881 0.550 0.400) 1.113 15.575 ( -0.615 -0.577 -1.224) 1.486 15.618 ( 0.233 0.833 -0.096) 0.871 15.783 ( -0.053 0.090 4.097) 4.099 15.849 ( -0.511 0.760 4.184) 4.283 15.909 ( 0.381 0.113 -3.788) 3.809 15.950 ( 1.172 0.172 -5.437) 5.565 16.277 ( 0.674 -1.522 -0.300) 1.691 16.295 ( 0.624 -1.017 -0.078) 1.195 16.486 ( -1.764 1.608 3.074) 3.892 16.553 ( -1.835 2.948 -1.197) 3.673 ======================= Grid point 104 (49/72) ======================= q-point: (-0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( -0.140 1.094 -0.258) 1.132 1.086 ( -0.659 1.151 0.155) 1.336 1.363 ( -1.965 13.213 5.197) 14.334 1.592 ( -1.707 4.577 1.731) 5.182 1.655 ( 3.335 0.112 3.861) 5.103 1.818 ( -3.859 -3.481 -0.470) 5.218 1.870 ( -3.641 3.546 -4.288) 6.650 1.990 ( 1.229 1.163 -5.716) 5.961 2.052 ( -2.446 0.321 -0.465) 2.511 2.069 ( 0.605 0.465 -5.186) 5.242 2.194 ( 5.038 -7.523 -0.264) 9.058 2.296 ( 3.694 -2.724 -1.731) 4.905 2.495 ( -6.460 -0.678 3.794) 7.522 2.517 ( 1.703 -2.921 1.691) 3.780 2.573 ( 0.142 -1.121 -0.516) 1.242 2.617 ( -1.552 -0.701 0.312) 1.732 2.683 ( 0.973 -1.507 0.797) 1.963 2.776 ( 0.244 -4.573 -0.562) 4.614 3.041 ( 2.782 -1.443 -2.838) 4.228 3.118 ( -8.002 9.570 9.806) 15.868 3.285 ( -0.716 3.436 3.816) 5.184 3.390 ( -1.175 1.783 -4.055) 4.583 3.434 ( 3.714 -1.162 -0.210) 3.897 3.518 ( 0.691 1.675 3.203) 3.680 3.857 ( 1.045 -1.030 2.288) 2.718 3.880 ( 0.337 -1.714 3.509) 3.919 3.963 ( -0.129 0.878 -2.213) 2.384 4.012 ( 0.266 0.827 1.801) 2.000 4.118 ( -1.275 2.416 -0.309) 2.749 4.190 ( 3.143 -1.166 -0.408) 3.377 4.269 ( -0.147 1.348 1.016) 1.695 4.297 ( -1.098 1.351 -3.469) 3.881 4.416 ( 2.304 -1.602 -1.316) 3.100 4.429 ( -3.650 -3.938 4.124) 6.771 4.516 ( 4.131 3.161 -1.776) 5.496 4.575 ( -2.352 0.737 -3.371) 4.176 4.699 ( -2.303 -1.327 -4.073) 4.864 4.892 ( -0.833 -0.751 3.655) 3.823 4.955 ( 1.542 -2.387 -4.887) 5.654 5.116 ( 0.681 1.420 -1.677) 2.300 5.297 ( -1.267 1.352 0.628) 1.956 5.382 ( -1.104 1.532 -1.735) 2.564 5.677 ( 0.321 -1.141 2.405) 2.681 5.715 ( -1.802 0.221 -1.077) 2.111 5.783 ( 4.510 -1.276 1.096) 4.814 6.010 ( -0.095 -1.530 -0.263) 1.556 6.081 ( 1.829 0.511 -2.021) 2.773 6.146 ( -0.141 3.486 2.609) 4.356 6.186 ( 1.219 -0.170 4.239) 4.414 6.290 ( -0.829 -5.550 -0.389) 5.625 6.419 ( 0.260 0.970 -3.256) 3.407 6.457 ( -0.035 0.988 -1.557) 1.845 6.955 ( 2.366 0.771 3.631) 4.402 6.996 ( 1.511 1.164 -2.412) 3.075 7.115 ( -1.777 -4.469 0.113) 4.810 7.316 ( -2.811 -1.504 1.123) 3.380 7.462 ( 2.299 -0.407 -4.006) 4.637 7.619 ( -1.283 -0.377 -1.134) 1.754 7.781 ( 1.087 -0.590 -0.950) 1.559 7.953 ( -1.413 0.649 -0.329) 1.590 8.224 ( -0.472 2.939 1.733) 3.445 8.397 ( -0.308 0.139 -0.956) 1.014 8.423 ( 1.179 -1.255 3.051) 3.503 8.478 ( 0.108 0.513 2.371) 2.428 8.612 ( 0.406 -0.359 -1.196) 1.313 8.654 ( -0.174 -0.605 2.048) 2.142 8.679 ( -1.866 -0.106 -0.025) 1.869 8.779 ( 0.352 0.048 -0.948) 1.012 11.880 ( 0.348 -0.020 -0.083) 0.358 11.912 ( -0.303 1.898 1.725) 2.583 11.927 ( -0.390 -0.168 0.231) 0.483 11.995 ( 0.321 -1.963 -1.989) 2.813 15.391 ( -0.138 0.922 0.386) 1.009 15.458 ( -0.020 1.364 2.283) 2.659 15.567 ( -0.357 0.443 -0.857) 1.029 15.638 ( 0.564 -1.905 -1.589) 2.545 15.788 ( 0.035 -0.069 3.909) 3.910 15.839 ( -0.872 0.117 4.318) 4.407 15.909 ( 0.037 -0.461 -3.627) 3.657 15.950 ( 0.638 0.083 -5.151) 5.191 16.267 ( -1.064 1.986 0.677) 2.353 16.297 ( -0.609 0.684 -0.072) 0.919 16.509 ( 1.358 -2.282 1.352) 2.980 16.536 ( 1.986 -2.424 -0.286) 3.146 ======================= Grid point 105 (50/72) ======================= q-point: (-0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( -2.611 6.320 6.177) 9.215 1.054 ( -2.306 6.229 3.876) 7.691 1.132 ( -0.110 4.797 4.367) 6.488 1.471 ( -2.978 6.487 -0.972) 7.203 1.566 ( 0.070 8.971 -4.104) 9.865 1.621 ( -10.870 10.501 -5.360) 16.036 1.848 ( -2.048 1.566 4.362) 5.067 1.975 ( -1.453 -5.069 -5.802) 7.840 2.099 ( 5.451 -3.546 0.763) 6.547 2.187 ( 2.263 -7.312 -0.929) 7.710 2.320 ( 4.267 0.850 2.373) 4.956 2.410 ( 0.419 -3.455 0.134) 3.482 2.498 ( -3.685 -6.592 3.200) 8.202 2.566 ( 0.345 -1.618 -2.538) 3.029 2.616 ( 0.107 -4.046 -1.670) 4.378 2.675 ( -3.058 -7.920 1.366) 8.599 2.748 ( 2.945 -1.270 4.202) 5.287 2.779 ( -2.914 7.591 12.593) 14.990 2.931 ( -3.510 -3.699 -1.682) 5.369 3.097 ( 2.570 0.040 -6.440) 6.934 3.201 ( -2.793 4.479 2.811) 5.981 3.259 ( -1.710 7.744 -7.810) 11.131 3.436 ( 0.510 4.475 3.477) 5.690 3.477 ( 2.114 4.753 -0.365) 5.215 3.876 ( 0.048 0.065 4.746) 4.747 3.958 ( 0.583 -2.064 -2.071) 2.981 3.960 ( 1.697 -2.158 1.338) 3.054 4.019 ( 1.993 0.549 5.403) 5.785 4.050 ( 0.426 3.118 -2.620) 4.095 4.190 ( 0.380 3.070 -0.246) 3.104 4.233 ( -2.236 1.173 -1.280) 2.831 4.262 ( 0.011 0.231 -3.860) 3.867 4.438 ( 1.377 0.938 -3.134) 3.549 4.462 ( -1.137 -0.144 -2.473) 2.726 4.504 ( -4.567 -1.123 2.080) 5.142 4.564 ( 4.722 -0.565 7.884) 9.207 4.695 ( -0.595 -1.233 -9.780) 9.876 4.907 ( -3.125 -2.443 -2.718) 4.809 5.017 ( 1.905 -2.526 -0.569) 3.215 5.089 ( -0.137 1.750 1.194) 2.123 5.244 ( -2.001 2.203 -0.055) 2.976 5.331 ( -1.128 1.331 -3.805) 4.186 5.720 ( -0.384 -3.356 3.548) 4.899 5.739 ( 2.059 -1.501 0.763) 2.659 5.836 ( 3.461 0.081 3.713) 5.077 5.994 ( 0.608 2.376 -5.785) 6.284 6.089 ( 1.286 0.056 2.271) 2.611 6.132 ( 2.640 -0.582 -1.667) 3.176 6.272 ( 2.745 -4.380 6.661) 8.431 6.336 ( -0.663 2.449 2.582) 3.620 6.356 ( -1.006 1.223 0.058) 1.584 6.497 ( 0.213 -5.211 -6.516) 8.346 6.965 ( 6.197 1.324 1.155) 6.441 7.028 ( 3.304 -1.082 0.414) 3.501 7.195 ( -3.298 -5.691 0.724) 6.617 7.309 ( -5.723 -2.094 -1.177) 6.207 7.501 ( 2.968 -1.101 -2.708) 4.166 7.602 ( -1.905 0.604 -1.082) 2.272 7.815 ( 1.875 -1.808 -1.117) 2.834 7.925 ( -3.426 -0.609 1.065) 3.639 8.164 ( 1.165 3.825 2.016) 4.478 8.358 ( -3.330 1.348 -2.902) 4.618 8.444 ( 0.964 2.636 2.974) 4.089 8.478 ( 0.517 -0.231 3.456) 3.503 8.618 ( 0.085 -0.708 -1.871) 2.002 8.670 ( 0.818 -0.957 4.293) 4.473 8.693 ( -1.578 -2.648 -0.809) 3.187 8.771 ( 0.012 0.496 -2.470) 2.519 11.866 ( 0.729 1.311 -1.791) 2.336 11.877 ( -0.965 1.476 1.470) 2.296 11.951 ( 0.210 -1.624 2.359) 2.871 12.028 ( -0.058 -1.742 -2.067) 2.704 15.350 ( 0.072 3.010 1.421) 3.330 15.421 ( 0.128 2.992 -2.329) 3.794 15.577 ( -0.057 -1.579 3.070) 3.453 15.670 ( -0.039 -1.398 -2.166) 2.579 15.796 ( 0.161 -0.114 3.619) 3.624 15.842 ( -0.854 -0.654 4.295) 4.428 15.910 ( -0.741 -0.232 -3.930) 4.006 15.946 ( 0.231 0.056 -4.820) 4.826 16.214 ( -0.449 2.597 0.348) 2.659 16.263 ( -1.614 1.733 -0.238) 2.381 16.592 ( 2.936 -5.116 4.904) 7.671 16.658 ( 4.659 -6.153 -2.125) 8.005 ======================= Grid point 106 (51/72) ======================= q-point: (-0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( -2.727 6.011 18.758) 19.885 0.934 ( -4.820 1.875 13.064) 14.050 1.131 ( 0.712 -1.831 -2.532) 3.205 1.294 ( -6.208 8.292 3.408) 10.905 1.334 ( -8.643 7.307 -13.118) 17.326 1.403 ( 2.156 7.407 -12.050) 14.308 1.832 ( -0.434 0.643 13.970) 13.992 2.011 ( -0.284 -1.030 -3.549) 3.707 2.267 ( 1.597 -0.536 5.643) 5.889 2.281 ( 1.255 -2.079 9.774) 10.072 2.326 ( -0.160 -5.572 0.644) 5.611 2.435 ( 0.609 -2.733 -2.189) 3.554 2.548 ( 0.344 1.122 3.966) 4.136 2.610 ( 0.793 -1.555 -2.273) 2.866 2.631 ( -1.239 2.163 6.012) 6.508 2.736 ( 0.675 -6.363 1.814) 6.651 2.833 ( 1.808 -4.006 2.906) 5.269 2.843 ( -0.682 -8.562 -2.102) 8.843 2.999 ( -0.079 -3.109 -7.967) 8.552 3.030 ( -3.244 5.509 -15.391) 16.666 3.099 ( 1.580 3.312 -0.853) 3.767 3.139 ( -2.257 2.707 -0.709) 3.595 3.310 ( -2.312 6.864 4.678) 8.623 3.376 ( 2.388 7.874 -4.622) 9.438 3.864 ( -1.842 0.791 9.029) 9.249 3.971 ( 0.527 0.093 -2.737) 2.789 4.002 ( 2.954 -0.053 1.948) 3.539 4.010 ( 0.140 1.428 1.616) 2.162 4.060 ( 1.528 -1.139 1.059) 2.181 4.142 ( 0.768 2.467 0.987) 2.766 4.193 ( -2.933 -0.217 -3.702) 4.728 4.257 ( -0.405 -0.163 -4.934) 4.953 4.373 ( -3.701 3.977 -1.832) 5.733 4.422 ( 1.196 1.397 -6.956) 7.195 4.529 ( -1.334 -2.149 7.036) 7.477 4.659 ( 6.074 -2.249 6.748) 9.354 4.710 ( 2.253 -0.607 -9.398) 9.683 4.904 ( -4.408 -1.251 -3.964) 6.058 5.059 ( -1.558 0.531 6.618) 6.819 5.082 ( 1.296 -2.391 -4.144) 4.957 5.204 ( -0.393 0.541 0.165) 0.688 5.308 ( -0.448 0.171 -4.573) 4.598 5.777 ( 0.185 -0.380 6.248) 6.262 5.786 ( -1.140 -2.742 6.547) 7.189 5.878 ( 3.082 -2.244 -0.278) 3.823 5.958 ( 1.827 1.493 -7.414) 7.781 6.105 ( 0.377 -0.493 1.960) 2.056 6.167 ( 2.027 -0.636 -3.495) 4.090 6.243 ( -1.657 4.033 5.814) 7.267 6.334 ( 2.737 0.643 -3.516) 4.502 6.413 ( 1.815 -4.014 7.033) 8.299 6.586 ( -0.829 -4.496 -5.902) 7.465 7.027 ( 7.072 -0.924 2.328) 7.502 7.081 ( 5.924 0.100 0.203) 5.928 7.244 ( -5.528 -3.438 1.491) 6.679 7.288 ( -5.396 -1.295 -2.863) 6.244 7.522 ( 1.039 0.837 0.807) 1.559 7.568 ( -0.471 1.486 -2.255) 2.741 7.881 ( 1.358 -3.892 1.751) 4.479 7.946 ( -1.238 -4.241 -0.342) 4.431 8.116 ( 2.294 3.298 1.055) 4.153 8.262 ( -5.929 4.308 -3.287) 8.033 8.407 ( -0.198 1.738 3.047) 3.514 8.450 ( -0.767 2.652 0.815) 2.879 8.655 ( 0.162 -1.956 3.413) 3.937 8.699 ( -0.583 -2.260 0.456) 2.378 8.739 ( 0.689 -2.137 -1.621) 2.770 8.761 ( 0.711 0.473 -3.225) 3.336 11.846 ( -1.277 0.836 0.998) 1.824 11.852 ( 1.021 0.837 -1.749) 2.191 11.984 ( 0.567 -1.099 2.920) 3.171 12.050 ( -0.396 -1.065 -1.977) 2.280 15.301 ( 0.052 2.239 1.423) 2.653 15.351 ( -0.366 3.649 -2.453) 4.412 15.622 ( 0.972 -2.183 2.854) 3.722 15.684 ( -0.278 -0.503 -1.683) 1.778 15.804 ( -0.236 -0.326 3.055) 3.081 15.851 ( -0.656 -0.445 3.346) 3.439 15.888 ( -1.073 1.142 -3.855) 4.161 15.941 ( -0.226 -0.044 -3.632) 3.640 16.176 ( 0.869 1.582 0.365) 1.842 16.215 ( -1.912 1.380 -0.271) 2.374 16.750 ( 3.255 -6.891 4.219) 8.711 16.817 ( 4.409 -6.172 -1.778) 7.791 ======================= Grid point 108 (52/72) ======================= q-point: ( 0.14 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 5.719 -0.000 10.960) 12.362 0.998 ( 6.216 -0.000 12.729) 14.165 1.105 ( -1.183 0.000 1.646) 2.027 1.202 ( 9.754 -0.000 5.439) 11.168 1.365 ( 13.332 -0.000 -12.594) 18.340 1.395 ( 9.423 -0.000 -15.915) 18.496 1.855 ( -1.899 0.000 20.675) 20.762 1.971 ( -1.951 0.000 -4.089) 4.530 2.148 ( -6.226 0.000 17.662) 18.727 2.256 ( -6.746 0.000 2.056) 7.053 2.361 ( -6.752 0.000 -1.808) 6.990 2.467 ( -2.560 0.000 -1.630) 3.035 2.514 ( -4.474 0.000 3.640) 5.767 2.599 ( 4.475 -0.000 1.204) 4.634 2.701 ( 1.739 -0.000 -0.593) 1.838 2.831 ( 0.655 -0.000 -10.217) 10.238 2.835 ( -0.403 0.000 10.241) 10.249 2.980 ( 4.881 -0.000 -11.386) 12.388 3.007 ( 0.907 -0.000 -7.991) 8.043 3.045 ( 3.895 -0.000 -0.356) 3.911 3.070 ( 1.714 -0.000 -2.363) 2.919 3.122 ( 2.811 -0.000 0.931) 2.961 3.210 ( 1.978 -0.000 -1.579) 2.531 3.323 ( 0.583 -0.000 -4.386) 4.425 3.836 ( -2.319 0.000 8.780) 9.081 3.995 ( -0.923 0.000 2.476) 2.642 4.032 ( 2.325 -0.000 -6.129) 6.555 4.072 ( 1.454 -0.000 -2.396) 2.803 4.093 ( -0.922 0.000 -1.769) 1.995 4.102 ( 2.215 -0.000 5.443) 5.877 4.147 ( 0.393 -0.000 2.676) 2.705 4.197 ( -2.240 0.000 -5.904) 6.314 4.297 ( 0.948 -0.000 3.611) 3.734 4.413 ( 1.091 -0.000 -6.596) 6.686 4.552 ( -1.437 0.000 7.259) 7.400 4.697 ( -1.199 0.000 -5.831) 5.953 4.750 ( -3.281 0.000 -10.576) 11.073 4.873 ( 2.108 -0.000 5.598) 5.982 4.972 ( -3.990 0.000 6.703) 7.801 5.139 ( 2.882 -0.000 -0.922) 3.026 5.251 ( 2.443 -0.000 3.316) 4.119 5.273 ( -0.262 0.000 -6.935) 6.940 5.768 ( -2.515 0.000 9.102) 9.443 5.785 ( -2.877 0.000 5.233) 5.971 5.924 ( -2.335 0.000 -3.845) 4.498 5.949 ( -0.076 0.000 -7.040) 7.041 6.063 ( -3.274 0.000 2.208) 3.949 6.134 ( -2.399 0.000 -2.581) 3.524 6.200 ( -1.202 0.000 8.112) 8.201 6.296 ( -3.376 0.000 -4.048) 5.271 6.532 ( 0.754 -0.000 6.238) 6.284 6.581 ( -0.284 0.000 -8.043) 8.048 7.004 ( -6.732 0.000 -0.222) 6.735 7.021 ( -7.721 0.000 -2.026) 7.982 7.360 ( 7.045 -0.000 -2.939) 7.634 7.367 ( 4.450 -0.000 -2.124) 4.931 7.496 ( 0.385 -0.000 2.660) 2.688 7.543 ( 2.876 -0.000 -0.044) 2.876 7.973 ( -4.882 0.000 3.221) 5.849 7.983 ( 0.965 -0.000 -3.026) 3.176 8.085 ( 3.038 -0.000 -4.249) 5.223 8.215 ( 5.563 -0.000 3.198) 6.416 8.337 ( -2.922 0.000 4.057) 5.000 8.464 ( 3.276 -0.000 1.135) 3.467 8.649 ( -1.066 0.000 5.786) 5.883 8.657 ( -5.640 0.000 0.709) 5.684 8.776 ( 2.365 -0.000 -3.355) 4.105 8.780 ( 0.473 -0.000 -2.641) 2.683 11.810 ( -0.824 0.000 0.963) 1.268 11.873 ( 1.365 -0.000 -1.546) 2.063 12.021 ( 0.266 -0.000 2.926) 2.938 12.032 ( -0.845 0.000 -1.953) 2.128 15.282 ( -0.585 0.000 -0.351) 0.683 15.307 ( 0.937 -0.000 1.132) 1.470 15.672 ( -0.365 0.000 -1.483) 1.527 15.673 ( -1.042 0.000 -0.276) 1.078 15.792 ( -0.329 0.000 4.157) 4.170 15.872 ( 1.688 -0.000 -2.831) 3.296 15.907 ( 3.436 -0.000 2.243) 4.104 15.935 ( 0.978 -0.000 -3.344) 3.484 16.160 ( -0.763 0.000 -0.538) 0.933 16.215 ( 2.562 -0.000 0.736) 2.666 16.767 ( -10.657 0.000 1.982) 10.839 16.794 ( -6.617 0.000 1.760) 6.847 ======================= Grid point 109 (53/72) ======================= q-point: ( 0.29 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( 2.922 -1.324 1.096) 3.390 1.069 ( -0.423 -1.117 1.768) 2.134 1.157 ( 5.944 -4.371 14.436) 16.212 1.335 ( 10.012 1.627 -12.932) 16.436 1.388 ( 12.416 -3.437 4.686) 13.709 1.658 ( 11.911 -9.373 -11.091) 18.781 1.882 ( 1.109 -1.034 10.516) 10.625 1.941 ( 0.688 0.845 -3.712) 3.868 2.157 ( -8.029 1.700 3.646) 8.980 2.196 ( -4.057 -3.888 15.602) 16.583 2.228 ( -7.834 3.460 -0.697) 8.592 2.397 ( 0.128 4.111 -2.447) 4.786 2.504 ( -5.981 -1.864 4.322) 7.611 2.608 ( 1.001 3.402 1.653) 3.912 2.678 ( 1.067 3.261 -1.689) 3.824 2.803 ( 1.780 3.780 7.577) 8.652 2.833 ( -0.001 2.544 -2.409) 3.504 2.937 ( 1.243 7.147 -6.825) 9.960 3.006 ( 2.821 -4.395 -12.612) 13.651 3.034 ( 0.915 2.154 0.254) 2.354 3.131 ( 4.650 -2.634 -0.155) 5.347 3.183 ( 1.564 -4.044 -0.449) 4.359 3.292 ( 3.058 -4.525 0.846) 5.527 3.398 ( -1.765 -6.859 -4.301) 8.286 3.822 ( -2.890 -0.331 8.082) 8.590 3.971 ( -2.462 1.362 1.043) 3.000 4.017 ( 0.570 2.460 -3.661) 4.448 4.065 ( 0.209 -0.064 -4.577) 4.582 4.092 ( -2.271 -0.479 -4.512) 5.074 4.150 ( 3.422 -0.862 7.897) 8.649 4.169 ( 0.364 -1.475 -1.351) 2.033 4.222 ( 1.919 -3.326 -1.368) 4.076 4.337 ( 1.741 -2.016 2.545) 3.684 4.415 ( -0.320 0.028 -2.416) 2.437 4.531 ( -2.147 1.241 6.344) 6.812 4.652 ( -3.421 0.492 -3.057) 4.614 4.718 ( 3.261 1.640 -8.335) 9.099 4.880 ( -0.553 0.539 3.454) 3.540 4.964 ( -2.148 -0.925 4.487) 5.060 5.167 ( 3.499 0.257 -1.838) 3.961 5.268 ( 0.792 -0.435 -5.956) 6.024 5.283 ( 4.423 -0.213 2.102) 4.902 5.708 ( -2.928 2.150 5.713) 6.770 5.805 ( -4.034 -2.741 3.013) 5.733 5.853 ( -1.489 3.397 -0.681) 3.771 5.918 ( -4.641 1.485 -5.448) 7.310 6.051 ( -2.442 -1.651 1.314) 3.228 6.107 ( -2.778 0.436 -1.102) 3.020 6.233 ( 0.029 -3.310 4.391) 5.499 6.304 ( -2.575 -3.599 -0.851) 4.507 6.498 ( -0.862 4.053 4.331) 5.994 6.521 ( 0.070 4.546 -7.406) 8.690 6.928 ( -5.824 1.717 -1.452) 6.243 6.983 ( -5.340 -2.599 -0.801) 5.992 7.312 ( 0.782 4.102 -0.369) 4.192 7.391 ( 3.390 2.750 -0.863) 4.450 7.562 ( 3.783 0.602 -2.465) 4.555 7.567 ( 3.246 -1.331 0.549) 3.551 7.850 ( -0.273 5.377 1.439) 5.573 8.023 ( -0.162 1.969 -3.284) 3.833 8.110 ( 1.574 -4.380 -2.728) 5.396 8.301 ( 4.428 -1.378 4.513) 6.471 8.353 ( -4.393 -4.635 2.520) 6.865 8.502 ( 3.246 -0.203 3.158) 4.533 8.580 ( -3.255 2.333 2.318) 4.627 8.669 ( -0.962 -1.187 4.614) 4.861 8.764 ( 0.866 1.288 -2.752) 3.159 8.780 ( 1.181 1.226 -3.875) 4.233 11.812 ( -0.486 -0.756 1.141) 1.452 11.891 ( 1.031 -0.973 -1.760) 2.260 12.010 ( -0.350 1.267 0.602) 1.446 12.019 ( -0.175 0.926 0.286) 0.985 15.288 ( -0.531 -1.439 1.418) 2.089 15.360 ( 0.624 -4.011 -0.939) 4.167 15.639 ( -1.395 1.957 1.172) 2.674 15.660 ( -0.376 0.774 -1.178) 1.459 15.794 ( 0.463 0.285 3.963) 4.000 15.876 ( 0.983 0.661 0.173) 1.197 15.929 ( 1.492 0.687 -2.473) 2.969 15.956 ( 2.691 -0.364 -3.020) 4.061 16.175 ( 0.349 -2.035 -0.088) 2.066 16.252 ( 2.688 -1.123 0.464) 2.950 16.630 ( -8.606 4.082 4.762) 10.649 16.692 ( -7.587 3.263 -1.217) 8.349 ======================= Grid point 110 (54/72) ======================= q-point: ( 0.43 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( -0.210 -0.666 -0.529) 0.876 1.108 ( 0.632 -1.150 -0.677) 1.477 1.353 ( 4.965 -8.745 9.752) 14.008 1.426 ( 11.149 -2.568 -10.563) 15.572 1.562 ( 2.005 -6.571 8.926) 11.264 1.804 ( -0.035 0.678 -4.970) 5.016 1.940 ( 7.078 -1.024 0.910) 7.210 1.998 ( 2.577 -0.236 -4.152) 4.892 2.055 ( 1.434 -0.522 0.957) 1.801 2.079 ( -2.940 3.033 -4.910) 6.477 2.304 ( -1.496 -2.328 3.497) 4.459 2.329 ( -2.164 3.481 2.890) 5.015 2.437 ( -5.323 0.596 5.193) 7.460 2.539 ( -1.646 2.732 1.192) 3.405 2.611 ( -0.489 4.014 -0.401) 4.063 2.743 ( 0.525 5.165 -2.047) 5.580 2.765 ( 1.029 8.453 -2.874) 8.988 2.769 ( -2.146 4.063 4.963) 6.763 3.016 ( 2.330 0.626 1.864) 3.049 3.176 ( 3.320 -9.243 -6.086) 11.553 3.223 ( 2.664 -3.040 4.173) 5.809 3.282 ( 2.339 -4.782 -1.156) 5.447 3.364 ( -0.255 -1.418 0.389) 1.492 3.494 ( -2.345 -4.970 -2.623) 6.089 3.822 ( -2.551 -1.273 6.372) 6.981 3.916 ( -2.844 1.311 0.049) 3.132 3.950 ( -2.769 2.795 -1.952) 4.392 4.050 ( -2.621 -0.130 -3.656) 4.500 4.102 ( 2.401 -1.848 -2.689) 4.051 4.171 ( 0.802 0.470 4.328) 4.427 4.233 ( 1.720 -2.422 0.216) 2.978 4.286 ( 1.845 -1.704 -1.979) 3.197 4.369 ( -2.058 0.293 -0.085) 2.081 4.400 ( 0.593 0.473 2.106) 2.239 4.519 ( -0.154 -1.331 4.567) 4.759 4.639 ( -0.180 -0.276 -3.281) 3.298 4.710 ( 3.542 2.287 -2.348) 4.825 4.881 ( 1.640 -0.562 -0.088) 1.736 4.951 ( -2.318 1.029 2.317) 3.435 5.165 ( 0.766 1.424 -5.951) 6.167 5.299 ( 3.478 -0.826 -0.820) 3.667 5.352 ( 5.053 -2.007 0.719) 5.484 5.688 ( -0.232 -0.335 2.397) 2.432 5.735 ( -4.724 1.511 -1.612) 5.215 5.808 ( -7.104 3.048 -1.988) 7.981 5.879 ( 0.463 -3.318 4.456) 5.575 6.063 ( -3.429 0.758 -0.316) 3.526 6.085 ( -1.596 -3.878 -2.214) 4.742 6.308 ( -0.535 -1.402 5.542) 5.741 6.325 ( 0.017 -0.030 -1.425) 1.425 6.406 ( -0.779 4.835 1.578) 5.146 6.446 ( -0.127 0.507 -6.217) 6.238 6.870 ( -3.334 -0.414 1.143) 3.548 6.986 ( -3.621 -2.191 -2.494) 4.912 7.246 ( 1.910 4.873 0.043) 5.234 7.345 ( 0.660 3.580 1.993) 4.150 7.535 ( 3.766 4.109 -2.803) 6.239 7.611 ( -0.240 -0.712 -1.362) 1.556 7.788 ( 1.514 1.875 0.823) 2.547 7.983 ( -0.685 1.310 -2.343) 2.770 8.203 ( 1.299 -3.957 -2.964) 5.112 8.348 ( 2.129 -0.683 4.395) 4.931 8.400 ( -3.602 -3.026 1.335) 4.890 8.529 ( 2.800 0.938 4.456) 5.345 8.538 ( -1.116 -0.162 1.783) 2.110 8.676 ( -0.390 0.363 2.249) 2.312 8.742 ( 0.759 2.545 -2.182) 3.437 8.761 ( -0.037 -0.360 -2.427) 2.454 11.831 ( -0.133 -1.373 1.388) 1.957 11.918 ( 0.109 -1.473 -2.239) 2.682 11.981 ( 0.137 1.607 0.338) 1.648 11.992 ( -0.051 1.807 0.568) 1.895 15.325 ( -0.510 -2.621 2.427) 3.608 15.440 ( 0.007 -3.976 -2.784) 4.853 15.591 ( -0.858 2.047 3.029) 3.755 15.637 ( -0.024 1.144 -1.140) 1.615 15.798 ( 0.721 0.421 3.473) 3.572 15.866 ( -0.141 1.052 2.266) 2.502 15.920 ( 0.946 0.892 -3.282) 3.530 15.963 ( 1.338 0.723 -4.538) 4.786 16.237 ( 1.525 -3.140 -0.043) 3.491 16.295 ( 2.186 -0.762 0.027) 2.315 16.505 ( -4.941 2.850 4.394) 7.200 16.571 ( -5.267 2.588 -2.080) 6.226 ======================= Grid point 111 (55/72) ======================= q-point: (-0.43 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 0.197 -0.602 1.078) 1.250 1.111 ( -0.245 0.699 -1.535) 1.705 1.526 ( 4.758 -0.532 -4.127) 6.321 1.554 ( 2.034 -5.471 6.559) 8.780 1.707 ( 1.509 -4.322 9.554) 10.594 1.736 ( -0.761 2.612 -4.063) 4.890 1.863 ( -4.628 2.638 -3.797) 6.542 2.030 ( -1.038 1.102 -5.490) 5.695 2.071 ( 7.617 1.611 -3.274) 8.446 2.134 ( 0.696 1.770 0.242) 1.917 2.189 ( 4.371 4.212 -1.714) 6.308 2.300 ( 2.682 0.487 -3.223) 4.221 2.454 ( -5.780 2.407 2.014) 6.577 2.505 ( -1.485 -4.035 5.621) 7.077 2.533 ( -4.102 0.251 -1.437) 4.353 2.629 ( 0.995 2.698 0.925) 3.021 2.659 ( -2.949 3.750 1.687) 5.060 2.720 ( -1.457 -0.334 -0.977) 1.786 3.062 ( 6.471 -0.617 -0.822) 6.553 3.207 ( -3.641 3.969 6.387) 8.355 3.328 ( -2.011 -0.232 3.372) 3.933 3.372 ( 2.932 -2.193 -2.981) 4.721 3.417 ( 4.108 -5.026 1.211) 6.604 3.514 ( -2.515 -1.096 -0.718) 2.836 3.843 ( -1.891 -2.198 5.234) 5.983 3.863 ( 0.058 0.960 1.781) 2.024 3.932 ( -2.547 -2.776 -2.258) 4.392 4.024 ( -0.278 0.956 -0.355) 1.057 4.139 ( -1.346 0.995 0.914) 1.907 4.192 ( 3.409 -2.139 -1.379) 4.254 4.265 ( -1.446 -0.975 -0.785) 1.913 4.296 ( -1.602 0.974 -3.044) 3.575 4.349 ( -1.387 -1.614 4.841) 5.288 4.419 ( 2.406 -0.549 -1.083) 2.695 4.554 ( 0.034 -1.203 1.044) 1.593 4.617 ( 2.027 2.961 -7.679) 8.476 4.691 ( 1.202 2.222 3.185) 4.065 4.882 ( -3.198 1.496 1.880) 4.000 4.943 ( 3.536 -1.537 -2.003) 4.345 5.132 ( -0.809 0.998 -5.582) 5.727 5.330 ( 2.713 1.350 0.829) 3.142 5.407 ( 1.728 0.931 -0.850) 2.139 5.651 ( -3.258 -0.551 1.628) 3.683 5.706 ( -3.204 0.990 -0.899) 3.472 5.783 ( 4.431 -3.073 -0.110) 5.394 5.952 ( -1.204 -3.488 3.203) 4.886 6.039 ( -2.250 -2.134 -0.043) 3.101 6.158 ( -1.449 -5.997 -3.544) 7.115 6.235 ( 0.520 5.435 3.740) 6.618 6.278 ( 0.188 5.495 1.246) 5.638 6.408 ( 1.034 -2.386 -3.121) 4.062 6.453 ( -1.398 -0.956 -2.036) 2.648 6.892 ( -1.641 -3.894 3.511) 5.493 6.999 ( -1.388 -2.427 -3.720) 4.654 7.164 ( 3.628 6.265 0.892) 7.294 7.292 ( -2.727 1.584 2.039) 3.756 7.499 ( 3.011 2.077 -3.459) 5.034 7.596 ( -2.316 0.310 -1.147) 2.603 7.798 ( 3.371 0.082 -0.578) 3.421 7.948 ( -2.591 0.909 -1.353) 3.061 8.251 ( 0.553 -0.288 0.467) 0.779 8.380 ( -1.564 -1.121 -1.639) 2.528 8.418 ( 1.819 -1.160 4.335) 4.842 8.529 ( 3.384 2.229 3.376) 5.274 8.562 ( -1.666 -2.762 0.628) 3.286 8.668 ( 0.395 0.420 1.511) 1.617 8.686 ( -1.170 2.723 -1.071) 3.152 8.770 ( -0.640 -0.681 -1.356) 1.647 11.862 ( 0.218 -1.707 1.501) 2.283 11.927 ( -0.992 0.355 -0.997) 1.450 11.956 ( -0.077 1.905 0.618) 2.004 11.969 ( 0.873 -0.261 -1.218) 1.521 15.374 ( 0.122 -2.340 2.295) 3.280 15.472 ( -1.381 -0.077 -0.282) 1.412 15.572 ( 0.495 0.045 -0.048) 0.499 15.621 ( 0.237 0.267 -0.819) 0.893 15.800 ( 0.409 0.438 3.686) 3.735 15.844 ( -1.012 0.904 3.424) 3.683 15.910 ( 0.819 0.526 -3.737) 3.862 15.954 ( 0.617 0.479 -4.978) 5.038 16.281 ( -0.215 -0.095 1.222) 1.245 16.314 ( 1.313 0.624 -0.786) 1.653 16.471 ( -0.454 -1.858 1.559) 2.467 16.512 ( -2.238 -0.333 -0.389) 2.296 ======================= Grid point 112 (56/72) ======================= q-point: (-0.29 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( -0.615 2.330 0.140) 2.414 1.081 ( 0.242 1.003 -0.619) 1.203 1.407 ( 4.660 15.026 5.525) 16.674 1.577 ( -1.145 5.625 4.174) 7.098 1.687 ( -7.819 3.624 -2.802) 9.062 1.737 ( 4.637 4.841 0.293) 6.710 1.840 ( -0.120 -4.223 -9.457) 10.358 1.877 ( -5.273 5.935 -1.166) 8.025 2.110 ( 5.320 -1.144 -0.813) 5.502 2.125 ( 3.258 -0.348 -0.089) 3.278 2.295 ( 6.350 -6.820 -4.029) 10.152 2.317 ( -8.814 -6.058 5.375) 11.970 2.411 ( 4.343 1.402 -1.744) 4.885 2.512 ( -4.874 -0.881 -2.388) 5.499 2.544 ( 1.269 -2.799 1.167) 3.287 2.585 ( -3.030 -0.971 1.261) 3.423 2.697 ( 0.094 -4.195 2.739) 5.010 2.759 ( -1.172 -5.618 -1.327) 5.890 3.020 ( -4.532 10.778 13.117) 17.571 3.134 ( 5.877 0.642 -4.634) 7.512 3.263 ( -2.018 4.144 4.097) 6.167 3.359 ( -1.280 4.515 -5.048) 6.892 3.494 ( 1.887 0.077 2.442) 3.087 3.533 ( 0.168 -0.611 1.247) 1.399 3.870 ( 0.515 -1.586 1.854) 2.494 3.913 ( 0.184 -3.426 4.390) 5.572 3.948 ( 1.070 -0.112 -2.178) 2.429 4.035 ( 0.627 -1.232 3.693) 3.944 4.089 ( -0.789 2.189 -1.584) 2.815 4.232 ( -0.724 1.545 -0.397) 1.752 4.242 ( -2.714 -1.091 -2.891) 4.113 4.264 ( 1.029 1.705 -3.313) 3.866 4.391 ( -1.761 -3.575 6.103) 7.289 4.450 ( 1.242 -0.374 -1.764) 2.189 4.533 ( 0.160 3.572 -5.584) 6.631 4.595 ( 2.038 -0.598 -1.567) 2.639 4.658 ( 0.120 1.557 1.498) 2.164 4.844 ( -2.588 -0.771 -3.896) 4.740 5.004 ( 2.379 -1.560 1.264) 3.112 5.105 ( -0.914 0.550 -3.264) 3.433 5.292 ( 0.305 3.765 1.199) 3.963 5.357 ( -0.967 2.922 -2.790) 4.154 5.664 ( -1.314 -2.387 4.039) 4.872 5.721 ( 1.438 -2.180 -1.797) 3.170 5.869 ( 4.267 -0.873 1.422) 4.582 5.981 ( -2.715 -2.237 -1.402) 3.787 6.100 ( -0.184 -2.740 3.552) 4.490 6.160 ( 1.579 3.531 0.302) 3.879 6.220 ( 0.699 -0.869 2.467) 2.708 6.270 ( -0.550 -6.884 -2.533) 7.356 6.406 ( -1.378 2.561 1.171) 3.135 6.455 ( 1.115 -0.102 -4.788) 4.917 6.973 ( -0.699 -5.007 4.036) 6.469 7.041 ( 2.292 -1.731 -3.661) 4.653 7.115 ( 2.374 1.396 2.251) 3.557 7.237 ( -5.060 0.297 -0.505) 5.094 7.514 ( 3.862 -0.617 -3.553) 5.284 7.569 ( -3.309 -0.466 -1.498) 3.662 7.831 ( 4.059 0.095 -0.865) 4.152 7.897 ( -4.038 0.974 -0.085) 4.155 8.237 ( 1.068 2.304 3.114) 4.018 8.354 ( -2.432 1.135 -3.399) 4.331 8.477 ( 1.915 -1.375 4.824) 5.370 8.515 ( 2.121 2.654 3.681) 5.010 8.600 ( -0.450 -2.209 -3.302) 3.998 8.629 ( -3.168 0.540 -0.115) 3.215 8.679 ( 1.615 -0.258 3.647) 3.997 8.768 ( -0.903 -0.229 -2.103) 2.300 11.889 ( -0.163 -0.036 0.573) 0.597 11.897 ( -0.259 1.499 0.279) 1.547 11.936 ( 0.592 -0.020 1.300) 1.428 11.991 ( -0.190 -1.645 -2.266) 2.807 15.399 ( 0.550 1.209 1.785) 2.225 15.448 ( -1.042 0.476 0.239) 1.170 15.572 ( 0.876 0.517 0.503) 1.134 15.634 ( -0.566 -1.558 -2.182) 2.740 15.800 ( -0.508 0.091 4.814) 4.841 15.833 ( -0.557 -0.164 3.904) 3.947 15.906 ( 0.733 0.223 -4.315) 4.383 15.946 ( 0.450 0.234 -5.448) 5.471 16.256 ( -0.334 1.925 1.481) 2.452 16.290 ( -0.073 2.167 -1.117) 2.439 16.525 ( -0.345 -3.634 3.355) 4.958 16.568 ( 1.557 -5.728 -1.738) 6.185 ======================= Grid point 113 (57/72) ======================= q-point: (-0.14 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 0.421 6.103 5.321) 8.108 1.063 ( 1.483 2.062 -1.538) 2.969 1.188 ( 5.353 12.903 9.508) 16.898 1.395 ( -4.196 9.400 -5.005) 11.446 1.433 ( -7.640 10.921 0.628) 13.343 1.611 ( 7.244 10.701 -10.347) 16.555 1.840 ( -0.792 -1.125 6.762) 6.901 1.946 ( -0.638 -4.686 -4.937) 6.836 2.185 ( 0.113 -5.333 0.470) 5.355 2.195 ( 0.809 -5.626 0.001) 5.684 2.366 ( -1.838 1.588 6.160) 6.621 2.400 ( -0.530 0.655 0.895) 1.229 2.461 ( -0.577 -7.275 1.747) 7.504 2.552 ( 0.440 -5.928 -5.194) 7.894 2.621 ( -3.123 -4.752 1.410) 5.858 2.634 ( 1.958 -4.618 0.946) 5.104 2.759 ( -1.332 -3.074 8.582) 9.213 2.835 ( 1.939 5.744 9.489) 11.260 2.872 ( 0.132 -6.528 -3.445) 7.382 3.122 ( 2.263 4.662 -11.919) 12.997 3.171 ( -1.271 3.924 2.492) 4.819 3.231 ( 0.941 7.005 -5.452) 8.926 3.426 ( -2.780 6.279 6.336) 9.344 3.518 ( 2.234 4.310 -2.677) 5.543 3.876 ( -1.510 1.200 5.401) 5.735 3.962 ( 0.906 -2.040 -3.318) 3.999 3.984 ( 0.605 -1.952 1.865) 2.767 4.042 ( -0.250 0.425 -4.183) 4.212 4.075 ( 2.358 0.989 7.378) 7.808 4.184 ( -1.239 1.763 -2.790) 3.525 4.208 ( -0.145 2.432 -0.439) 2.475 4.249 ( -0.054 0.431 -4.609) 4.629 4.415 ( -2.227 3.428 -0.871) 4.180 4.446 ( -1.414 -1.215 -1.324) 2.287 4.483 ( 1.470 -0.170 3.657) 3.945 4.654 ( 0.558 -4.086 3.306) 5.286 4.665 ( 1.246 -1.411 -4.179) 4.584 4.846 ( -0.767 -1.434 -7.355) 7.533 5.039 ( -1.409 -1.067 2.758) 3.276 5.086 ( 1.294 0.799 -1.500) 2.136 5.231 ( 0.370 2.659 2.328) 3.553 5.309 ( -0.389 1.112 -4.763) 4.907 5.711 ( -1.931 -3.160 5.298) 6.464 5.774 ( 1.821 -1.998 -0.327) 2.723 5.889 ( 1.199 1.158 2.488) 2.995 5.981 ( -0.904 -0.292 -4.891) 4.983 6.104 ( -0.426 0.924 2.766) 2.947 6.151 ( 0.206 -1.190 -1.875) 2.230 6.312 ( -1.402 1.370 6.885) 7.158 6.334 ( 0.216 -2.632 1.736) 3.160 6.366 ( 2.264 -2.111 -0.310) 3.111 6.476 ( -0.074 -3.695 -7.691) 8.533 7.049 ( -2.354 -3.272 2.947) 4.993 7.092 ( 4.591 -0.400 -0.716) 4.664 7.152 ( 0.229 -3.390 1.756) 3.825 7.209 ( -2.516 -2.030 -2.987) 4.402 7.546 ( -2.036 0.143 -1.431) 2.493 7.566 ( 2.838 -1.204 -2.987) 4.293 7.839 ( -3.158 -0.161 2.405) 3.972 7.887 ( 3.410 -1.724 -2.382) 4.503 8.208 ( 2.533 3.090 3.903) 5.586 8.283 ( -3.448 3.156 -3.880) 6.075 8.468 ( 0.461 2.552 3.789) 4.591 8.494 ( -0.099 2.780 2.205) 3.550 8.604 ( -2.266 -2.003 2.509) 3.930 8.651 ( -0.274 -2.806 -0.882) 2.954 8.712 ( 1.419 -1.095 1.360) 2.250 8.764 ( -0.021 -0.289 -2.870) 2.884 11.856 ( -1.386 1.399 1.123) 2.267 11.882 ( 1.419 1.427 -1.529) 2.527 11.966 ( 0.576 -1.671 2.779) 3.293 12.016 ( -0.621 -1.720 -2.380) 3.002 15.353 ( -0.750 3.095 2.768) 4.219 15.418 ( 0.851 3.153 -4.069) 5.217 15.593 ( 0.554 -1.900 3.811) 4.294 15.653 ( -0.742 -1.509 -2.578) 3.078 15.797 ( -1.644 -0.189 5.137) 5.397 15.846 ( 0.178 -0.529 4.369) 4.404 15.901 ( 1.137 0.592 -5.226) 5.381 15.939 ( 0.546 0.248 -5.336) 5.370 16.221 ( 0.692 2.054 0.890) 2.343 16.239 ( -0.534 2.623 -0.941) 2.837 16.626 ( -0.980 -7.094 5.528) 9.047 16.701 ( 0.418 -7.330 -2.553) 7.773 ======================= Grid point 116 (58/72) ======================= q-point: ( 0.29 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -0.792 0.000 -1.843) 2.006 1.053 ( 0.419 -0.000 2.620) 2.653 1.231 ( 10.289 -0.000 12.207) 15.965 1.403 ( 6.995 -0.000 1.952) 7.262 1.593 ( 12.673 -0.000 -11.862) 17.358 1.603 ( 14.313 -0.000 -4.997) 15.161 1.891 ( 2.412 -0.000 7.912) 8.271 1.965 ( 4.493 -0.000 -4.486) 6.349 2.088 ( -6.222 0.000 20.718) 21.632 2.111 ( -9.249 0.000 2.700) 9.635 2.243 ( -4.586 0.000 2.945) 5.451 2.426 ( -5.482 0.000 2.499) 6.025 2.427 ( -1.083 0.000 -2.234) 2.483 2.634 ( -1.321 0.000 1.423) 1.942 2.721 ( 0.249 -0.000 0.299) 0.389 2.841 ( 2.955 -0.000 -15.804) 16.078 2.853 ( -0.201 0.000 8.305) 8.308 2.995 ( -0.254 0.000 -4.975) 4.982 3.019 ( 2.702 -0.000 -6.677) 7.203 3.055 ( 0.297 -0.000 -0.457) 0.545 3.127 ( -0.182 0.000 -2.094) 2.102 3.154 ( -0.025 0.000 1.386) 1.386 3.299 ( 6.612 -0.000 -2.582) 7.098 3.305 ( 0.196 -0.000 -0.668) 0.696 3.798 ( -4.077 0.000 8.385) 9.324 3.990 ( -0.318 0.000 3.169) 3.185 4.020 ( -5.688 0.000 -6.190) 8.407 4.040 ( 1.573 -0.000 -6.412) 6.602 4.084 ( 0.277 -0.000 -1.372) 1.400 4.162 ( 2.373 -0.000 -5.325) 5.829 4.181 ( 1.997 -0.000 4.568) 4.986 4.206 ( 4.005 -0.000 7.770) 8.741 4.348 ( 3.369 -0.000 1.303) 3.613 4.411 ( -0.425 0.000 -3.242) 3.270 4.529 ( -2.806 0.000 6.219) 6.823 4.610 ( -3.457 0.000 -7.204) 7.991 4.760 ( 4.958 -0.000 -9.569) 10.777 4.872 ( -3.372 0.000 11.516) 11.999 4.945 ( -1.177 0.000 4.839) 4.980 5.195 ( 2.564 -0.000 -5.094) 5.703 5.272 ( 3.400 -0.000 -4.954) 6.008 5.336 ( 6.173 -0.000 1.405) 6.331 5.715 ( -5.586 0.000 4.631) 7.256 5.720 ( -5.897 0.000 2.517) 6.411 5.858 ( -3.760 0.000 1.191) 3.944 5.898 ( -3.018 0.000 -6.675) 7.326 6.001 ( -3.947 0.000 3.691) 5.404 6.096 ( -0.928 0.000 -3.023) 3.163 6.204 ( -0.513 0.000 6.029) 6.051 6.233 ( -2.095 0.000 -1.446) 2.546 6.527 ( -2.600 0.000 4.372) 5.087 6.561 ( 0.449 -0.000 -8.392) 8.404 6.900 ( -4.693 0.000 -1.746) 5.007 6.902 ( -4.137 0.000 0.184) 4.141 7.353 ( -2.992 0.000 0.072) 2.993 7.391 ( -0.636 0.000 -4.215) 4.263 7.592 ( 7.273 -0.000 0.324) 7.280 7.658 ( 7.415 -0.000 -0.500) 7.432 7.918 ( -2.700 0.000 3.187) 4.177 7.992 ( 0.941 -0.000 -5.560) 5.639 8.111 ( 1.785 -0.000 -4.022) 4.401 8.251 ( -4.456 0.000 4.796) 6.546 8.341 ( 3.586 -0.000 4.935) 6.100 8.532 ( 1.488 -0.000 5.875) 6.061 8.574 ( -1.867 0.000 -2.133) 2.835 8.660 ( 0.271 -0.000 7.119) 7.124 8.768 ( -0.562 0.000 -4.431) 4.467 8.809 ( 2.056 -0.000 -3.904) 4.412 11.804 ( -0.047 0.000 1.292) 1.292 11.887 ( 0.448 -0.000 -1.991) 2.041 12.019 ( 0.011 -0.000 -1.397) 1.397 12.027 ( -0.415 0.000 2.517) 2.552 15.278 ( 0.210 -0.000 0.272) 0.344 15.321 ( 0.162 -0.000 1.094) 1.106 15.639 ( -2.209 0.000 1.208) 2.518 15.664 ( -0.056 0.000 -1.620) 1.621 15.806 ( 0.340 -0.000 4.591) 4.603 15.895 ( 1.623 -0.000 -3.566) 3.918 15.951 ( 1.399 -0.000 -2.358) 2.742 15.977 ( 3.282 -0.000 -0.557) 3.329 16.162 ( 1.284 -0.000 0.625) 1.428 16.268 ( 3.024 -0.000 0.715) 3.107 16.585 ( -9.570 0.000 4.498) 10.574 16.642 ( -9.065 0.000 -1.553) 9.197 ======================= Grid point 117 (59/72) ======================= q-point: ( 0.43 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( -0.438 -0.968 -0.327) 1.112 1.076 ( -0.331 -1.775 -0.169) 1.814 1.339 ( 8.305 -1.063 7.490) 11.235 1.484 ( 4.131 -3.372 3.218) 6.228 1.581 ( 10.705 4.850 -6.474) 13.418 1.788 ( 4.204 -3.146 -3.000) 6.047 1.938 ( -2.459 -0.939 0.816) 2.756 2.014 ( -4.516 -0.137 -1.213) 4.678 2.053 ( 9.758 -1.842 -0.149) 9.931 2.115 ( -1.644 -2.886 6.783) 7.553 2.192 ( 0.779 0.323 9.587) 9.624 2.375 ( -4.181 2.080 0.632) 4.713 2.415 ( -1.959 0.204 1.132) 2.272 2.585 ( -4.401 2.931 0.265) 5.295 2.681 ( -1.126 3.473 0.718) 3.721 2.794 ( -1.669 3.264 -3.580) 5.124 2.860 ( 0.955 3.418 3.360) 4.887 2.925 ( 0.397 6.653 -6.768) 9.499 3.046 ( 2.010 -0.172 0.713) 2.139 3.058 ( 4.686 -4.443 -7.241) 9.702 3.181 ( -1.330 -4.108 1.425) 4.547 3.186 ( -1.587 -5.606 -0.944) 5.902 3.332 ( 0.837 -1.500 1.084) 2.031 3.389 ( 2.778 -3.867 -3.589) 5.963 3.779 ( -3.730 -0.977 7.947) 8.833 3.916 ( -3.847 2.954 -1.316) 5.025 3.991 ( -1.806 1.426 -5.029) 5.530 4.028 ( -0.402 1.733 0.591) 1.874 4.094 ( 2.090 -1.018 -2.457) 3.382 4.186 ( 1.382 -0.898 -0.283) 1.672 4.216 ( 1.453 -0.897 2.855) 3.327 4.277 ( 3.336 -1.827 1.139) 3.971 4.365 ( -0.430 0.591 0.310) 0.794 4.413 ( 1.412 -0.464 0.049) 1.487 4.503 ( -1.413 0.114 4.093) 4.332 4.605 ( -0.892 -2.174 -5.244) 5.747 4.780 ( 3.994 1.845 -1.523) 4.656 4.869 ( -1.042 -1.275 3.950) 4.280 4.947 ( -1.119 -0.164 4.481) 4.621 5.186 ( 0.282 1.339 -9.408) 9.507 5.327 ( 6.640 -0.950 -1.415) 6.855 5.393 ( 6.683 0.201 1.036) 6.766 5.658 ( -7.226 -0.106 0.602) 7.252 5.677 ( -5.745 -1.409 0.880) 5.981 5.800 ( -5.118 2.534 0.448) 5.729 5.865 ( 0.979 -0.302 1.053) 1.469 5.995 ( -3.798 -2.025 0.257) 4.312 6.067 ( -1.140 1.362 -1.970) 2.653 6.245 ( 0.185 -3.642 2.867) 4.639 6.264 ( -1.613 -4.085 1.015) 4.508 6.467 ( -2.876 3.697 2.692) 5.403 6.516 ( 1.054 3.956 -6.200) 7.430 6.852 ( -2.258 0.769 -0.549) 2.448 6.903 ( -3.153 -2.632 -0.939) 4.213 7.305 ( -0.520 1.795 -0.054) 1.869 7.386 ( -1.902 0.263 -2.201) 2.921 7.635 ( 4.441 2.252 -0.151) 4.981 7.664 ( 4.875 4.657 -1.254) 6.858 7.855 ( 0.222 3.292 2.261) 4.000 7.987 ( -2.196 0.836 -3.609) 4.306 8.153 ( 3.642 -3.054 -3.571) 5.946 8.266 ( -5.427 -4.581 2.299) 7.465 8.383 ( 3.050 -0.460 5.505) 6.310 8.523 ( -2.574 0.221 4.352) 5.061 8.582 ( 3.174 0.331 0.989) 3.341 8.677 ( 0.050 -0.399 5.888) 5.901 8.752 ( -0.464 0.314 -4.914) 4.946 8.798 ( 1.244 2.306 -3.867) 4.671 11.814 ( 0.309 -0.704 1.514) 1.697 11.893 ( -0.317 -0.817 -2.424) 2.577 12.009 ( 0.174 1.119 0.582) 1.273 12.017 ( -0.139 0.848 0.632) 1.067 15.290 ( 0.316 -1.172 1.902) 2.256 15.360 ( -0.345 -3.599 -1.061) 3.768 15.612 ( -1.691 1.048 2.807) 3.441 15.656 ( 0.263 0.688 -1.839) 1.981 15.813 ( 0.236 0.144 4.266) 4.275 15.892 ( 0.971 1.189 -2.113) 2.612 15.947 ( 1.259 1.179 -2.038) 2.671 15.989 ( 1.316 1.053 -2.918) 3.369 16.205 ( 2.992 -2.235 1.489) 4.021 16.304 ( 2.575 -0.680 0.342) 2.685 16.497 ( -6.958 1.369 4.392) 8.341 16.547 ( -6.983 1.323 -2.799) 7.638 ======================= Grid point 118 (60/72) ======================= q-point: ( 0.57 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 0.344 -1.267 1.019) 1.662 1.099 ( -0.779 -1.254 -1.140) 1.865 1.445 ( 2.973 -4.017 3.473) 6.086 1.551 ( -2.745 -3.293 1.224) 4.459 1.664 ( 13.322 -1.797 -1.785) 13.560 1.798 ( -0.453 3.062 -0.701) 3.174 1.848 ( -7.770 0.892 3.656) 8.633 2.016 ( -2.991 -1.945 -6.530) 7.441 2.159 ( 6.611 2.814 -0.361) 7.194 2.184 ( 9.147 -1.280 1.700) 9.392 2.280 ( -1.949 2.718 -1.425) 3.636 2.306 ( -2.957 -8.442 8.641) 12.437 2.379 ( 2.507 3.268 -3.452) 5.374 2.462 ( -6.015 3.690 0.412) 7.069 2.594 ( -1.304 4.013 2.787) 5.057 2.703 ( -4.478 4.039 0.019) 6.030 2.753 ( 0.843 8.023 -1.439) 8.195 2.774 ( 0.583 7.472 -2.971) 8.062 3.107 ( 6.238 -1.645 1.982) 6.749 3.209 ( -1.532 -2.275 3.528) 4.469 3.239 ( 1.453 -6.928 -1.555) 7.247 3.305 ( -2.143 -8.255 -1.534) 8.666 3.370 ( 1.543 -1.636 0.394) 2.283 3.455 ( -0.888 -2.374 -3.068) 3.980 3.786 ( -3.168 -1.884 6.528) 7.497 3.857 ( -2.688 -0.435 -2.529) 3.716 3.907 ( 0.236 3.524 1.526) 3.848 4.012 ( -2.171 -0.852 -1.801) 2.947 4.143 ( 2.166 -1.124 0.446) 2.481 4.197 ( 1.308 0.845 0.748) 1.727 4.243 ( -0.350 -1.197 -0.546) 1.361 4.291 ( -1.981 1.067 -1.803) 2.883 4.350 ( 1.563 0.511 2.833) 3.275 4.429 ( 1.398 0.012 -2.331) 2.719 4.534 ( 0.626 -1.762 3.465) 3.938 4.634 ( 0.687 -1.182 -5.076) 5.257 4.767 ( 1.932 2.268 5.317) 6.095 4.880 ( -2.683 0.742 0.721) 2.875 4.952 ( 2.955 -0.714 0.258) 3.051 5.137 ( -1.132 1.915 -9.596) 9.850 5.392 ( 6.029 0.851 -0.180) 6.092 5.447 ( 3.617 0.689 0.102) 3.684 5.592 ( -5.398 -1.514 0.479) 5.626 5.660 ( -7.268 -1.082 -1.348) 7.471 5.775 ( 4.422 -1.828 3.383) 5.860 5.901 ( 0.234 -1.681 0.151) 1.703 5.986 ( -3.276 -1.110 0.331) 3.475 6.058 ( -1.022 -2.423 -3.033) 4.014 6.309 ( -0.929 -0.820 5.132) 5.279 6.325 ( -0.959 -2.190 3.094) 3.910 6.375 ( -1.177 2.126 -1.435) 2.822 6.446 ( 1.435 3.093 -6.055) 6.949 6.842 ( -0.429 -1.044 2.477) 2.722 6.927 ( -1.868 -2.839 -3.271) 4.717 7.280 ( 2.236 2.303 -0.025) 3.210 7.329 ( -2.213 3.667 0.566) 4.321 7.571 ( -0.419 4.484 2.050) 4.948 7.621 ( 1.985 3.647 -4.358) 6.019 7.839 ( 3.573 0.692 0.601) 3.689 7.939 ( -2.982 1.258 -2.655) 4.186 8.236 ( 2.183 -2.387 -0.646) 3.299 8.305 ( -3.788 -3.993 -1.122) 5.617 8.426 ( 2.344 -0.831 5.470) 6.008 8.514 ( -1.678 -1.021 2.082) 2.862 8.598 ( 2.209 1.283 4.533) 5.203 8.682 ( 0.592 0.516 2.164) 2.303 8.736 ( -0.893 1.728 -3.955) 4.408 8.749 ( 0.031 1.241 -2.553) 2.838 11.839 ( 0.517 -1.307 1.752) 2.246 11.903 ( -0.873 -1.121 -2.638) 2.997 11.982 ( -0.678 1.563 2.050) 2.665 11.999 ( 1.061 1.463 -1.099) 2.115 15.333 ( 0.561 -2.533 3.132) 4.067 15.421 ( -1.059 -3.340 -3.142) 4.706 15.585 ( -0.693 0.906 3.906) 4.069 15.641 ( 0.728 1.107 -2.059) 2.448 15.814 ( -0.235 0.386 4.081) 4.106 15.866 ( -0.254 1.778 0.383) 1.837 15.931 ( 0.994 1.221 -2.702) 3.127 15.968 ( 0.399 1.159 -4.200) 4.376 16.273 ( 1.656 -1.364 2.204) 3.075 16.332 ( 1.808 -0.256 -1.499) 2.362 16.440 ( -2.972 -0.333 3.214) 4.390 16.482 ( -3.129 0.174 -1.771) 3.599 ======================= Grid point 119 (61/72) ======================= q-point: (-0.29 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 0.016 -0.085 1.438) 1.441 1.104 ( -0.197 0.095 -1.222) 1.241 1.542 ( -2.708 -6.001 6.163) 9.018 1.602 ( -0.847 -1.786 0.491) 2.037 1.700 ( -0.713 6.389 -0.917) 6.494 1.757 ( 0.400 -0.446 -7.321) 7.345 1.837 ( 4.956 -0.582 6.291) 8.029 1.977 ( -2.058 4.429 -6.679) 8.274 2.132 ( 0.084 -0.433 2.962) 2.994 2.201 ( 2.505 4.360 -3.299) 6.014 2.221 ( -5.361 5.157 0.940) 7.498 2.322 ( 7.704 0.974 -7.172) 10.571 2.388 ( -5.867 -4.484 5.313) 9.097 2.457 ( 1.892 -0.926 -2.280) 3.104 2.551 ( -4.591 4.226 3.428) 7.120 2.587 ( 4.545 -0.372 1.639) 4.846 2.647 ( 0.705 1.870 1.018) 2.243 2.707 ( 0.095 0.771 -3.882) 3.959 3.136 ( -3.932 4.563 5.660) 8.266 3.194 ( 4.384 0.077 -0.953) 4.487 3.316 ( -0.509 1.175 3.994) 4.195 3.386 ( -0.080 -0.086 -1.979) 1.982 3.454 ( -1.467 -6.740 1.042) 6.976 3.481 ( -0.328 -2.444 -0.009) 2.466 3.815 ( -1.634 -3.606 4.633) 6.094 3.868 ( 0.104 -1.850 0.666) 1.969 3.935 ( 2.893 -3.133 2.422) 4.904 4.005 ( -2.522 -0.931 -2.077) 3.398 4.142 ( 2.126 2.311 1.230) 3.373 4.182 ( -2.772 0.257 -2.153) 3.519 4.247 ( -2.388 0.968 1.014) 2.769 4.276 ( 2.223 -1.421 -1.953) 3.283 4.362 ( 1.003 0.026 2.016) 2.252 4.445 ( 1.167 -1.151 -4.159) 4.471 4.540 ( -2.123 0.814 2.325) 3.252 4.634 ( 1.868 1.596 -6.484) 6.934 4.746 ( 2.960 3.921 5.587) 7.440 4.818 ( -3.502 0.861 -0.396) 3.628 5.003 ( 2.487 -0.760 -0.274) 2.615 5.091 ( -1.147 0.056 -7.283) 7.373 5.377 ( 0.676 3.938 1.103) 4.145 5.407 ( -0.640 3.374 -1.977) 3.963 5.615 ( -0.840 -2.295 3.634) 4.380 5.673 ( 0.499 -3.780 -1.842) 4.235 5.885 ( 4.007 -3.863 0.697) 5.609 5.897 ( -2.993 -0.548 -1.013) 3.207 6.028 ( 0.227 -3.914 4.041) 5.631 6.126 ( -0.676 -6.147 -4.511) 7.654 6.247 ( -1.383 4.350 3.177) 5.561 6.274 ( -0.114 4.108 2.663) 4.897 6.415 ( 0.630 -0.430 -2.361) 2.482 6.437 ( 0.647 -2.415 -3.541) 4.335 6.888 ( -0.117 -3.617 4.435) 5.724 6.974 ( 0.055 -3.763 -4.417) 5.802 7.222 ( -1.551 5.044 2.352) 5.778 7.249 ( 1.897 3.675 -0.437) 4.159 7.513 ( -2.319 0.641 1.305) 2.737 7.575 ( 2.331 1.898 -5.037) 5.866 7.873 ( 3.320 0.347 -0.670) 3.404 7.880 ( -2.961 0.997 -1.445) 3.443 8.270 ( 0.319 -0.235 2.994) 3.020 8.331 ( -1.549 -1.266 -3.136) 3.719 8.469 ( 0.490 -1.297 5.561) 5.731 8.537 ( -0.431 -2.505 -1.033) 2.744 8.576 ( -0.805 2.369 5.258) 5.823 8.659 ( 0.449 3.044 -2.619) 4.041 8.702 ( 2.028 0.487 1.697) 2.689 8.743 ( -1.423 -0.702 -2.420) 2.894 11.873 ( 0.312 -1.422 1.852) 2.356 11.909 ( -0.550 -0.363 -1.380) 1.530 11.952 ( -0.543 0.982 0.987) 1.494 11.981 ( 0.796 1.132 -1.551) 2.078 15.394 ( 1.212 -2.620 3.073) 4.216 15.438 ( -1.708 -0.137 -1.045) 2.007 15.585 ( 0.383 -0.689 1.007) 1.278 15.621 ( 0.304 1.332 -2.192) 2.583 15.804 ( -1.239 0.543 4.722) 4.912 15.838 ( -0.299 0.728 2.342) 2.471 15.917 ( 0.799 0.726 -3.215) 3.392 15.950 ( 0.452 0.542 -5.147) 5.195 16.280 ( -0.311 0.759 2.626) 2.751 16.329 ( 0.487 1.549 -2.302) 2.817 16.470 ( -0.413 -1.948 1.464) 2.472 16.486 ( 0.126 -3.587 -0.179) 3.594 ======================= Grid point 120 (62/72) ======================= q-point: (-0.14 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( -0.074 1.186 0.305) 1.227 1.092 ( 1.257 1.658 -1.156) 2.380 1.494 ( -0.721 11.071 5.896) 12.564 1.535 ( -3.760 7.863 -6.380) 10.802 1.591 ( 1.195 7.155 10.377) 12.661 1.781 ( 0.178 -1.688 -2.301) 2.859 1.853 ( 2.795 5.451 -10.788) 12.405 1.876 ( 7.052 0.012 -1.063) 7.132 2.094 ( -7.366 -1.380 0.015) 7.495 2.143 ( -2.584 -0.494 -0.633) 2.706 2.248 ( 2.661 -6.877 0.406) 7.385 2.378 ( -5.797 -0.018 1.578) 6.008 2.430 ( 5.151 -3.650 -2.469) 6.779 2.462 ( 0.990 -3.468 -0.575) 3.652 2.543 ( 0.193 -1.677 1.559) 2.297 2.604 ( 3.245 -0.044 -0.696) 3.319 2.705 ( 0.247 -2.337 3.798) 4.466 2.735 ( -1.423 -4.848 -1.137) 5.179 2.996 ( -1.664 6.165 9.375) 11.343 3.210 ( 3.543 2.816 -3.760) 5.884 3.248 ( -0.300 4.781 3.514) 5.941 3.340 ( 0.692 4.443 -3.520) 5.710 3.467 ( -4.983 0.400 4.277) 6.579 3.555 ( 1.288 -1.572 0.125) 2.036 3.873 ( -1.956 -2.880 2.467) 4.267 3.900 ( -0.375 -0.981 1.502) 1.833 3.993 ( 0.002 0.221 -0.118) 0.251 4.024 ( 2.387 -2.281 -1.285) 3.543 4.127 ( 1.259 1.173 3.524) 3.922 4.160 ( -2.602 -0.914 -2.987) 4.066 4.222 ( 0.120 0.727 0.088) 0.742 4.291 ( 1.778 1.782 -3.076) 3.975 4.381 ( -1.001 -1.843 3.840) 4.376 4.456 ( -0.600 1.493 0.418) 1.663 4.504 ( -1.485 0.053 -1.272) 1.955 4.618 ( 2.837 0.280 -8.474) 8.941 4.688 ( -0.594 2.865 4.814) 5.633 4.815 ( 1.481 -1.012 -4.055) 4.434 5.010 ( -2.324 -0.518 0.899) 2.545 5.102 ( 2.031 -0.659 -3.133) 3.792 5.304 ( 0.101 3.747 1.778) 4.149 5.339 ( 0.257 3.060 -2.655) 4.060 5.661 ( -0.038 -1.958 3.881) 4.347 5.739 ( 0.860 -2.748 -3.124) 4.249 5.894 ( -4.232 -3.095 0.548) 5.272 5.945 ( 1.141 1.041 0.120) 1.549 6.098 ( -1.002 -1.941 4.199) 4.733 6.185 ( 1.047 3.947 -2.464) 4.770 6.223 ( -0.693 -4.202 3.392) 5.445 6.260 ( 0.018 -6.886 -1.702) 7.093 6.390 ( -0.255 2.798 -0.034) 2.810 6.471 ( 1.540 0.115 -4.174) 4.450 6.966 ( -1.444 -3.261 4.036) 5.386 7.048 ( 0.435 -4.659 -3.557) 5.878 7.131 ( -3.602 1.338 0.893) 3.946 7.222 ( 5.059 1.959 0.855) 5.492 7.494 ( -2.947 -1.253 -1.872) 3.709 7.587 ( 3.622 -0.080 -3.109) 4.774 7.819 ( -3.800 0.923 0.284) 3.921 7.912 ( 4.270 -0.009 -1.376) 4.486 8.273 ( 1.244 0.819 3.820) 4.100 8.305 ( -1.381 2.345 -2.887) 3.967 8.484 ( -2.118 -0.218 5.273) 5.687 8.520 ( -3.267 0.288 1.730) 3.708 8.601 ( 0.093 1.192 -1.942) 2.281 8.606 ( 2.336 -0.697 1.330) 2.777 8.721 ( 1.448 -0.070 1.722) 2.251 8.745 ( -0.317 -0.843 -2.329) 2.497 11.872 ( -1.136 1.224 1.261) 2.093 11.916 ( 1.460 0.291 -0.561) 1.591 11.948 ( 0.296 -0.664 1.614) 1.770 11.977 ( -0.580 -1.045 -2.417) 2.697 15.399 ( -1.366 2.433 1.969) 3.416 15.450 ( 1.549 -0.970 -0.303) 1.853 15.589 ( 0.042 1.179 0.884) 1.474 15.615 ( -0.220 -1.752 -2.298) 2.898 15.788 ( -1.623 0.245 5.175) 5.429 15.842 ( 0.125 -0.577 3.806) 3.852 15.910 ( 0.637 0.238 -3.753) 3.814 15.943 ( 1.000 0.163 -6.001) 6.086 16.262 ( 0.529 1.535 1.344) 2.108 16.289 ( 0.361 2.628 -1.693) 3.147 16.513 ( -1.880 -3.944 3.906) 5.861 16.577 ( -0.205 -5.457 -1.786) 5.745 ======================= Grid point 124 (63/72) ======================= q-point: ( 0.43 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 0.117 -0.000 0.089) 0.147 1.058 ( 0.079 -0.000 -1.344) 1.346 1.426 ( 6.862 -0.000 5.199) 8.609 1.468 ( 0.425 -0.000 1.382) 1.446 1.717 ( 5.165 -0.000 -4.790) 7.044 1.778 ( 2.562 -0.000 5.660) 6.213 1.921 ( -0.190 0.000 -6.546) 6.548 1.943 ( -9.388 0.000 2.094) 9.619 2.048 ( -1.663 0.000 17.647) 17.726 2.146 ( 14.187 -0.000 -5.163) 15.098 2.265 ( 4.967 -0.000 3.809) 6.259 2.349 ( -2.977 0.000 0.776) 3.077 2.418 ( -0.133 0.000 0.431) 0.451 2.558 ( -6.628 0.000 -1.648) 6.830 2.682 ( -5.753 0.000 4.784) 7.482 2.838 ( 0.308 -0.000 -10.660) 10.664 2.883 ( 1.953 -0.000 4.844) 5.223 2.967 ( -0.976 0.000 -4.889) 4.985 3.044 ( -4.204 0.000 -0.499) 4.233 3.069 ( 4.009 -0.000 -6.273) 7.445 3.081 ( 1.237 -0.000 0.073) 1.239 3.132 ( -2.018 0.000 -0.270) 2.036 3.344 ( 2.520 -0.000 1.501) 2.933 3.382 ( 2.599 -0.000 -2.640) 3.705 3.748 ( -3.092 0.000 8.392) 8.944 3.900 ( -4.315 0.000 -5.876) 7.290 3.993 ( -0.988 0.000 6.245) 6.322 4.081 ( 3.563 -0.000 -4.159) 5.476 4.087 ( -0.127 0.000 -0.012) 0.128 4.173 ( -0.075 0.000 -7.024) 7.024 4.238 ( 2.926 -0.000 4.289) 5.192 4.279 ( 1.179 -0.000 4.556) 4.707 4.391 ( -0.147 0.000 -1.552) 1.559 4.393 ( 0.832 -0.000 -0.448) 0.945 4.499 ( -1.246 0.000 3.653) 3.859 4.571 ( 1.114 -0.000 -6.881) 6.970 4.826 ( -5.124 0.000 10.433) 11.623 4.852 ( 6.679 -0.000 -6.705) 9.463 4.945 ( -0.240 0.000 6.589) 6.593 5.190 ( 0.238 -0.000 -11.475) 11.478 5.387 ( 8.690 -0.000 -0.503) 8.705 5.458 ( 5.210 -0.000 0.626) 5.248 5.579 ( -8.024 0.000 -0.408) 8.034 5.604 ( -6.487 0.000 -0.409) 6.500 5.792 ( -4.507 0.000 5.438) 7.063 5.858 ( 1.151 -0.000 -5.485) 5.604 5.960 ( -1.393 0.000 5.654) 5.823 6.078 ( -0.158 0.000 -4.792) 4.794 6.206 ( -0.857 0.000 4.238) 4.323 6.215 ( -0.030 0.000 0.377) 0.378 6.475 ( -3.793 0.000 4.013) 5.521 6.560 ( 1.709 -0.000 -7.721) 7.908 6.845 ( -1.092 0.000 -0.702) 1.298 6.851 ( -1.758 0.000 0.383) 1.799 7.311 ( -1.372 0.000 0.826) 1.601 7.364 ( -0.615 0.000 -4.559) 4.600 7.715 ( 5.676 -0.000 -1.060) 5.774 7.747 ( 1.179 -0.000 0.372) 1.236 7.885 ( -1.344 0.000 3.859) 4.086 7.972 ( -2.292 0.000 -3.360) 4.067 8.154 ( 4.324 -0.000 -4.176) 6.011 8.173 ( -3.946 0.000 2.110) 4.475 8.411 ( 2.296 -0.000 5.638) 6.087 8.505 ( -2.423 0.000 2.817) 3.716 8.609 ( 2.287 -0.000 1.357) 2.659 8.678 ( -0.815 0.000 6.627) 6.677 8.749 ( 0.142 -0.000 -4.519) 4.521 8.826 ( 0.927 -0.000 -5.004) 5.089 11.814 ( 0.682 -0.000 1.676) 1.809 11.878 ( -0.692 0.000 -2.547) 2.640 12.019 ( -1.044 0.000 2.092) 2.338 12.027 ( 1.061 -0.000 -0.804) 1.331 15.290 ( 0.907 -0.000 0.794) 1.206 15.317 ( -0.781 0.000 0.544) 0.952 15.611 ( -1.268 0.000 2.716) 2.997 15.660 ( 0.055 -0.000 -1.927) 1.928 15.820 ( -0.079 0.000 4.590) 4.590 15.910 ( 1.016 -0.000 -4.124) 4.248 15.970 ( 1.134 -0.000 -1.283) 1.712 16.006 ( 0.429 -0.000 -2.742) 2.776 16.223 ( 4.905 -0.000 2.750) 5.623 16.314 ( 0.596 -0.000 0.800) 0.998 16.449 ( -6.566 0.000 4.308) 7.853 16.499 ( -4.264 0.000 -3.819) 5.725 ======================= Grid point 125 (64/72) ======================= q-point: (-0.43 -0.57 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( 0.845 -1.185 0.719) 1.623 1.065 ( -0.495 -1.081 -1.812) 2.167 1.454 ( 0.910 0.776 2.442) 2.720 1.472 ( -3.073 -0.904 3.055) 4.426 1.757 ( -7.960 -0.481 3.822) 8.843 1.776 ( 6.307 0.633 -1.971) 6.638 1.859 ( 0.183 -0.272 3.185) 3.201 1.927 ( -1.070 -0.272 -5.290) 5.404 2.109 ( -3.871 -5.088 11.847) 13.462 2.277 ( 10.843 0.344 -5.680) 12.245 2.292 ( -0.219 2.244 1.063) 2.493 2.315 ( 5.417 0.545 -1.117) 5.558 2.422 ( 1.439 -0.840 2.045) 2.638 2.465 ( -6.720 2.713 -1.553) 7.411 2.618 ( -5.351 1.575 5.819) 8.060 2.776 ( 0.642 4.894 -6.354) 8.046 2.857 ( -1.886 4.397 3.635) 6.009 2.929 ( 1.236 5.721 -3.944) 7.058 3.073 ( -4.162 -7.246 -0.784) 8.393 3.118 ( 3.201 -3.116 2.320) 5.034 3.139 ( 1.861 -3.958 -4.969) 6.620 3.152 ( -0.805 -3.911 -0.226) 3.999 3.359 ( 1.102 -0.455 0.685) 1.375 3.415 ( 0.594 -1.696 -3.743) 4.152 3.748 ( -1.224 -1.002 8.369) 8.517 3.854 ( -1.205 1.123 -2.366) 2.883 3.983 ( -1.987 0.231 1.718) 2.637 4.001 ( -0.262 5.782 -0.455) 5.806 4.134 ( 1.821 -1.759 -0.442) 2.570 4.179 ( -2.147 -2.098 -5.136) 5.949 4.245 ( 1.140 1.178 5.424) 5.667 4.299 ( 0.034 0.513 -0.963) 1.092 4.378 ( 1.563 0.042 2.379) 2.847 4.439 ( 1.323 -0.828 -3.749) 4.061 4.505 ( -0.070 -1.793 2.443) 3.032 4.597 ( 2.125 -1.967 -6.435) 7.056 4.785 ( -4.909 0.018 8.591) 9.895 4.894 ( 3.295 1.155 -2.753) 4.446 4.961 ( 1.662 -0.937 4.530) 4.915 5.156 ( -0.342 2.027 -11.936) 12.112 5.449 ( -4.209 0.352 0.606) 4.267 5.475 ( 6.483 0.025 -1.111) 6.578 5.548 ( 0.705 -0.999 0.711) 1.414 5.565 ( -3.920 -0.866 -0.945) 4.124 5.776 ( -0.621 -1.464 4.996) 5.242 5.882 ( 2.285 -0.815 -5.376) 5.899 5.961 ( 0.392 -0.128 4.567) 4.586 6.045 ( -0.631 1.623 -3.573) 3.975 6.247 ( -0.696 -3.109 2.295) 3.927 6.253 ( -0.158 -4.129 2.072) 4.622 6.421 ( -2.771 2.724 3.763) 5.409 6.530 ( 2.241 3.748 -6.346) 7.703 6.839 ( 0.327 0.168 0.950) 1.018 6.864 ( -0.607 -2.209 -1.473) 2.723 7.310 ( 1.011 -0.341 0.825) 1.348 7.348 ( -1.048 1.008 -3.198) 3.513 7.674 ( -1.375 6.026 2.011) 6.500 7.710 ( 0.457 4.029 -2.044) 4.540 7.879 ( 2.050 0.404 2.563) 3.307 7.936 ( -2.379 1.128 -2.863) 3.890 8.179 ( -3.786 -3.352 0.984) 5.152 8.226 ( 4.768 -2.909 -3.350) 6.513 8.440 ( 1.583 -0.388 5.642) 5.872 8.491 ( -1.612 -0.294 1.434) 2.178 8.627 ( 0.881 0.204 3.896) 3.999 8.681 ( -1.610 -0.844 3.879) 4.284 8.738 ( 0.554 1.031 -3.662) 3.844 8.802 ( 0.422 2.344 -4.904) 5.452 11.830 ( 0.854 -0.625 1.862) 2.142 11.874 ( -0.876 -0.699 -2.683) 2.908 12.001 ( -1.163 0.989 1.998) 2.515 12.030 ( 1.185 0.794 -0.904) 1.689 15.306 ( 0.540 -1.228 2.425) 2.771 15.347 ( -0.469 -3.127 -1.754) 3.616 15.598 ( -0.727 0.729 3.691) 3.832 15.657 ( 0.412 0.250 -2.206) 2.258 15.821 ( -0.513 0.282 4.410) 4.449 15.897 ( 0.193 1.543 -2.737) 3.148 15.962 ( 0.766 1.403 -1.297) 2.058 15.988 ( -0.298 1.236 -3.483) 3.708 16.278 ( 2.438 -0.351 3.045) 3.917 16.319 ( -0.845 -1.468 -1.174) 2.061 16.407 ( -3.500 -0.444 4.261) 5.532 16.476 ( 1.487 0.629 -2.878) 3.300 ======================= Grid point 126 (65/72) ======================= q-point: (-0.29 -0.57 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 0.214 -1.102 1.195) 1.640 1.080 ( -0.728 -1.219 -0.655) 1.563 1.404 ( -10.549 -3.166 5.468) 12.297 1.518 ( 0.699 -3.210 3.732) 4.972 1.680 ( -6.486 -1.786 -5.093) 8.438 1.837 ( 0.222 1.074 10.177) 10.236 1.893 ( 11.024 1.908 -6.664) 13.022 1.939 ( -2.966 -3.854 -3.261) 5.855 2.140 ( -5.226 -0.558 0.930) 5.337 2.199 ( -7.368 0.634 0.338) 7.403 2.282 ( -0.359 3.059 -0.245) 3.089 2.356 ( 1.844 6.294 -1.834) 6.810 2.406 ( 7.548 -2.119 -1.322) 7.950 2.495 ( 6.097 1.050 -2.359) 6.621 2.577 ( -1.241 -0.783 6.599) 6.760 2.646 ( -0.980 6.707 1.840) 7.024 2.752 ( -0.642 5.024 -2.586) 5.687 2.797 ( 2.520 8.059 -2.327) 8.759 3.123 ( -6.439 -2.426 0.623) 6.909 3.193 ( -2.193 -4.530 1.743) 5.326 3.212 ( -2.347 -4.516 1.687) 5.362 3.311 ( 4.213 -8.295 -0.328) 9.309 3.396 ( 1.114 -1.763 0.411) 2.126 3.430 ( -1.185 -0.855 -3.006) 3.342 3.776 ( 1.355 -1.025 6.343) 6.567 3.848 ( 1.833 -0.680 0.248) 1.970 3.922 ( -0.948 0.400 0.511) 1.149 3.976 ( 0.215 0.257 -0.344) 0.480 4.167 ( -0.516 0.608 0.611) 1.005 4.183 ( -2.671 -1.991 -2.477) 4.151 4.237 ( 0.275 0.871 2.940) 3.078 4.280 ( 1.304 0.477 -1.046) 1.739 4.396 ( 2.608 0.818 1.163) 2.970 4.432 ( 0.202 0.349 -5.028) 5.044 4.537 ( -1.384 -0.455 2.243) 2.675 4.643 ( 1.107 -1.070 -6.025) 6.219 4.772 ( -3.451 -1.878 4.733) 6.151 4.856 ( 1.162 4.179 3.908) 5.838 5.018 ( 3.575 -1.307 0.028) 3.806 5.086 ( -1.588 2.468 -10.839) 11.229 5.389 ( -5.937 0.183 0.249) 5.945 5.463 ( -2.418 2.221 -1.890) 3.788 5.582 ( 2.882 -1.888 1.105) 3.618 5.630 ( 5.581 -2.121 2.534) 6.486 5.808 ( -3.573 -1.920 -0.063) 4.057 5.919 ( 5.468 -0.875 -2.461) 6.060 5.994 ( 2.248 -1.406 2.997) 4.001 6.036 ( -0.147 -2.238 -3.541) 4.192 6.274 ( -3.454 0.108 4.918) 6.011 6.325 ( -0.153 -0.403 5.586) 5.602 6.374 ( 0.670 -2.066 -2.026) 2.970 6.464 ( 2.262 4.315 -6.215) 7.896 6.851 ( 0.292 -1.195 2.764) 3.026 6.914 ( 1.661 -2.931 -3.002) 4.512 7.285 ( -2.262 4.127 -0.448) 4.727 7.331 ( 3.127 1.077 0.097) 3.309 7.544 ( -2.958 5.027 2.819) 6.478 7.632 ( 0.251 3.005 -3.596) 4.693 7.874 ( -3.116 2.214 -2.791) 4.732 7.908 ( 3.425 -0.169 0.357) 3.448 8.214 ( -3.578 -3.692 1.127) 5.264 8.310 ( 3.701 -1.804 -1.060) 4.251 8.456 ( -1.300 -0.298 4.139) 4.349 8.504 ( 0.851 -1.521 0.810) 1.922 8.608 ( -2.204 2.029 5.640) 6.386 8.692 ( -1.093 -1.333 0.308) 1.751 8.712 ( 0.481 1.921 -2.726) 3.370 8.757 ( 1.459 1.970 -2.976) 3.856 11.856 ( 0.790 -1.108 2.048) 2.459 11.881 ( -0.680 -1.226 -2.492) 2.859 11.970 ( -1.150 1.417 1.794) 2.559 12.017 ( 1.030 1.533 -1.313) 2.266 15.352 ( 0.193 -2.818 2.979) 4.105 15.400 ( 0.214 -2.751 -2.813) 3.941 15.583 ( -0.617 0.596 3.607) 3.708 15.650 ( 0.905 0.948 -2.533) 2.852 15.810 ( -1.253 0.706 4.217) 4.456 15.859 ( -0.615 1.728 0.825) 2.011 15.939 ( 0.418 1.339 -2.147) 2.565 15.961 ( 0.169 0.920 -4.516) 4.612 16.280 ( -1.862 -0.466 2.262) 2.967 16.331 ( -1.435 -0.384 -1.818) 2.348 16.436 ( 2.220 -2.277 2.840) 4.264 16.481 ( 3.193 1.293 -1.141) 3.629 ======================= Grid point 127 (66/72) ======================= q-point: (-0.14 -0.57 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( -0.080 0.481 1.297) 1.385 1.096 ( -0.344 -1.363 -1.131) 1.805 1.446 ( -7.358 -8.445 3.773) 11.819 1.593 ( 0.048 -2.925 6.702) 7.313 1.648 ( -2.705 1.661 -1.886) 3.692 1.810 ( 3.195 2.315 1.781) 4.329 1.943 ( 1.545 2.132 -10.134) 10.471 1.966 ( 4.116 0.856 -0.426) 4.225 2.028 ( -5.232 2.379 -0.329) 5.757 2.158 ( -2.103 1.118 -2.822) 3.693 2.204 ( -5.680 2.466 -1.685) 6.417 2.279 ( -1.209 -0.614 -0.203) 1.371 2.467 ( 1.288 3.518 4.018) 5.493 2.491 ( 7.306 1.069 -0.934) 7.442 2.535 ( 1.238 0.298 1.526) 1.988 2.655 ( -0.844 2.884 -0.762) 3.100 2.666 ( 0.645 -1.913 0.665) 2.125 2.731 ( 4.547 2.834 -1.788) 5.648 3.054 ( -3.939 3.344 0.421) 5.184 3.257 ( 1.879 -1.744 2.894) 3.866 3.261 ( -7.366 -5.119 4.180) 9.896 3.384 ( 0.879 1.833 -0.653) 2.135 3.429 ( -1.180 0.409 1.339) 1.831 3.489 ( 1.278 -5.847 0.635) 6.019 3.820 ( 1.189 -1.010 4.684) 4.937 3.887 ( -0.399 -1.109 2.598) 2.853 3.951 ( 0.717 -2.722 -4.202) 5.058 4.003 ( 1.259 -2.772 1.938) 3.609 4.130 ( -0.247 1.619 -0.396) 1.685 4.173 ( -1.756 0.796 0.766) 2.074 4.243 ( 2.404 -0.018 1.068) 2.631 4.304 ( 0.942 -1.074 -1.835) 2.325 4.384 ( 1.224 1.564 0.005) 1.986 4.460 ( 2.154 -2.401 -3.145) 4.505 4.491 ( -3.648 2.615 2.519) 5.147 4.631 ( -1.319 0.665 -5.500) 5.695 4.746 ( -2.253 2.775 -2.518) 4.372 4.835 ( 3.493 0.748 6.402) 7.331 4.994 ( -2.123 1.948 -5.494) 6.203 5.092 ( 2.138 -1.844 -2.699) 3.906 5.337 ( -3.145 1.028 0.657) 3.373 5.403 ( -0.572 2.331 -0.959) 2.585 5.641 ( 2.220 -1.595 2.037) 3.409 5.707 ( 3.245 -1.208 -0.242) 3.471 5.791 ( -5.348 -1.942 -1.092) 5.793 5.982 ( 3.573 0.135 -0.584) 3.623 6.051 ( 1.378 -2.929 2.403) 4.032 6.121 ( 1.411 -6.133 -2.565) 6.796 6.203 ( -3.372 2.488 4.822) 6.388 6.291 ( 0.491 4.546 1.693) 4.875 6.419 ( 0.732 0.783 -4.551) 4.676 6.451 ( 1.073 -2.829 -1.399) 3.334 6.907 ( 1.280 -3.628 3.632) 5.291 6.980 ( 1.338 -2.633 -3.285) 4.417 7.163 ( -3.375 5.397 0.715) 6.405 7.312 ( 2.728 3.120 0.577) 4.184 7.466 ( -1.903 1.074 -0.988) 2.398 7.614 ( 2.112 0.376 -2.710) 3.456 7.805 ( -3.085 1.360 -1.248) 3.595 7.941 ( 2.660 -0.283 -0.714) 2.768 8.248 ( -2.274 -2.608 1.116) 3.635 8.348 ( 2.869 0.965 1.057) 3.206 8.450 ( -2.559 -0.816 2.956) 3.994 8.509 ( -3.162 1.300 0.925) 3.541 8.586 ( 1.651 -1.122 2.815) 3.451 8.666 ( -0.158 2.760 -1.629) 3.209 8.703 ( -1.157 -0.974 -0.999) 1.813 8.756 ( 2.163 0.301 0.010) 2.184 11.878 ( -0.108 -0.159 1.093) 1.110 11.905 ( 0.366 -1.798 -0.300) 1.859 11.941 ( -0.882 0.406 0.838) 1.282 11.990 ( 0.636 1.861 -1.733) 2.621 15.402 ( -0.979 -1.587 0.064) 1.866 15.437 ( 1.336 -1.126 2.331) 2.913 15.581 ( -0.746 -0.859 -0.363) 1.194 15.628 ( 0.891 1.975 -1.779) 2.804 15.789 ( -1.261 0.577 4.408) 4.621 15.840 ( -0.378 0.110 3.380) 3.403 15.918 ( 0.093 0.772 -2.949) 3.050 15.949 ( 0.831 0.275 -5.267) 5.340 16.280 ( -0.498 -0.305 1.884) 1.973 16.316 ( -1.067 0.387 -1.539) 1.912 16.479 ( 1.246 0.735 0.693) 1.604 16.504 ( 1.446 -2.502 0.411) 2.919 ======================= Grid point 132 (67/72) ======================= q-point: (-0.43 -0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( 1.654 -0.000 0.235) 1.670 1.049 ( -0.615 0.000 -2.502) 2.577 1.445 ( -6.448 0.000 4.640) 7.944 1.453 ( -2.003 0.000 1.028) 2.251 1.675 ( -11.255 0.000 4.149) 11.996 1.782 ( -4.399 0.000 -0.154) 4.401 1.849 ( 5.977 -0.000 0.346) 5.987 1.957 ( -0.800 0.000 2.839) 2.950 2.068 ( 2.580 -0.000 1.597) 3.034 2.281 ( -4.148 0.000 -4.089) 5.824 2.364 ( -5.402 0.000 17.224) 18.051 2.366 ( 6.078 -0.000 -5.215) 8.008 2.381 ( 3.846 -0.000 -1.882) 4.281 2.443 ( -0.625 0.000 -2.113) 2.203 2.620 ( 0.051 -0.000 4.044) 4.044 2.804 ( -1.375 0.000 -4.453) 4.660 2.907 ( -2.465 0.000 7.750) 8.133 2.956 ( 1.602 -0.000 -6.199) 6.402 2.998 ( 0.570 -0.000 -3.392) 3.440 3.090 ( -1.848 0.000 -0.763) 1.999 3.120 ( 2.701 -0.000 -6.270) 6.827 3.134 ( 3.352 -0.000 0.665) 3.417 3.378 ( 0.691 -0.000 -0.809) 1.064 3.382 ( -1.507 0.000 -3.398) 3.717 3.749 ( 1.100 -0.000 9.935) 9.996 3.853 ( 0.324 -0.000 -2.668) 2.688 3.966 ( -3.882 0.000 6.313) 7.411 4.076 ( -1.041 0.000 2.366) 2.585 4.113 ( -2.426 0.000 -6.012) 6.483 4.118 ( -0.698 0.000 -3.149) 3.226 4.292 ( 0.601 -0.000 -1.866) 1.960 4.306 ( 3.234 -0.000 5.526) 6.403 4.398 ( 0.373 -0.000 -1.689) 1.730 4.399 ( 0.916 -0.000 -1.836) 2.052 4.489 ( -0.910 0.000 -0.125) 0.919 4.606 ( 4.182 -0.000 -6.828) 8.007 4.733 ( -7.248 0.000 6.503) 9.738 4.947 ( 4.797 -0.000 -4.615) 6.656 4.965 ( 0.006 -0.000 9.990) 9.990 5.162 ( 0.251 -0.000 -13.005) 13.008 5.381 ( -7.792 0.000 -0.447) 7.805 5.482 ( -6.678 0.000 -1.569) 6.860 5.559 ( 9.271 -0.000 2.057) 9.497 5.606 ( 6.119 -0.000 -0.072) 6.120 5.750 ( -0.607 0.000 4.844) 4.882 5.902 ( 4.240 -0.000 -5.661) 7.072 5.978 ( 1.714 -0.000 5.527) 5.786 6.066 ( 0.438 -0.000 -5.185) 5.203 6.194 ( -1.456 0.000 3.426) 3.723 6.228 ( 1.323 -0.000 1.049) 1.689 6.425 ( -2.735 0.000 5.399) 6.052 6.584 ( 2.828 -0.000 -6.683) 7.257 6.840 ( 0.571 -0.000 0.155) 0.591 6.851 ( 1.665 -0.000 0.092) 1.668 7.310 ( 0.853 -0.000 1.244) 1.508 7.353 ( 0.638 -0.000 -3.905) 3.957 7.702 ( -4.984 0.000 0.626) 5.024 7.756 ( -2.452 0.000 -1.063) 2.672 7.893 ( 0.251 -0.000 4.271) 4.278 7.921 ( -0.994 0.000 0.775) 1.260 8.128 ( -1.248 0.000 -2.131) 2.469 8.241 ( 5.906 -0.000 -4.173) 7.231 8.457 ( 1.229 -0.000 5.987) 6.111 8.472 ( -1.975 0.000 0.219) 1.987 8.643 ( 1.047 -0.000 3.680) 3.826 8.653 ( -2.638 0.000 2.107) 3.376 8.754 ( 0.653 -0.000 -0.981) 1.179 8.816 ( -0.438 0.000 -5.766) 5.783 11.835 ( 0.940 -0.000 1.884) 2.105 11.856 ( -0.790 0.000 -2.624) 2.740 12.001 ( -1.337 0.000 1.858) 2.289 12.047 ( 1.161 -0.000 -0.783) 1.401 15.299 ( -1.057 0.000 0.046) 1.058 15.312 ( 1.054 -0.000 0.912) 1.394 15.606 ( -0.224 0.000 3.535) 3.542 15.658 ( 0.342 -0.000 -2.045) 2.074 15.825 ( -0.706 0.000 4.380) 4.436 15.910 ( 0.124 -0.000 -4.381) 4.383 15.982 ( 0.331 -0.000 -0.422) 0.536 15.989 ( -1.340 0.000 -3.127) 3.403 16.260 ( -4.918 0.000 -1.037) 5.026 16.314 ( 0.403 -0.000 1.057) 1.131 16.398 ( 3.319 -0.000 6.712) 7.488 16.514 ( 5.464 -0.000 -2.611) 6.055 ======================= Grid point 133 (68/72) ======================= q-point: (-0.29 -0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( -1.454 -0.731 -0.811) 1.818 1.069 ( 1.493 -0.892 0.362) 1.776 1.292 ( -14.823 3.779 8.712) 17.604 1.489 ( -0.982 -3.041 4.288) 5.348 1.562 ( -9.146 -0.844 -3.739) 9.917 1.773 ( -6.963 -4.127 -1.094) 8.167 1.913 ( -0.114 0.792 4.836) 4.902 1.949 ( 1.986 -2.930 -0.552) 3.583 2.099 ( 5.029 1.016 -3.130) 6.010 2.196 ( -6.262 3.202 -4.415) 8.304 2.329 ( -1.257 2.685 5.515) 6.261 2.412 ( 3.596 0.481 -2.642) 4.488 2.441 ( -1.485 -5.713 11.461) 12.892 2.506 ( 7.323 -3.333 -0.744) 8.080 2.600 ( 2.972 3.485 0.585) 4.617 2.756 ( -1.559 4.209 -3.179) 5.500 2.822 ( -2.701 5.104 4.360) 7.236 2.930 ( -1.154 5.903 -2.038) 6.351 3.005 ( -0.883 -2.074 -2.597) 3.439 3.101 ( -1.158 -2.130 -4.999) 5.556 3.169 ( 1.004 -2.975 2.282) 3.882 3.205 ( 2.158 -5.396 -1.232) 5.941 3.353 ( -1.787 -1.114 -1.227) 2.437 3.402 ( -0.651 -1.885 -4.112) 4.571 3.793 ( 3.394 -1.048 10.015) 10.626 3.866 ( 2.307 -0.174 0.502) 2.368 3.928 ( -1.794 1.368 0.470) 2.304 4.017 ( 0.195 2.860 1.639) 3.302 4.094 ( -4.655 -2.247 -3.464) 6.223 4.151 ( -0.438 -2.065 0.398) 2.148 4.268 ( 0.602 1.818 -1.118) 2.217 4.312 ( 0.545 1.990 0.280) 2.082 4.405 ( 0.991 -0.724 2.501) 2.786 4.443 ( 0.950 -1.603 -4.900) 5.242 4.500 ( -0.601 -1.880 -1.898) 2.738 4.629 ( 0.438 0.236 -3.334) 3.371 4.698 ( -3.785 -2.316 1.342) 4.636 4.940 ( 1.485 2.671 5.769) 6.528 5.011 ( 2.165 -2.037 1.589) 3.370 5.118 ( -0.449 2.957 -11.944) 12.313 5.323 ( -5.800 -0.728 -0.790) 5.899 5.421 ( -6.120 -0.111 -2.020) 6.446 5.634 ( 7.245 0.593 2.775) 7.781 5.670 ( 6.190 -0.704 2.891) 6.868 5.766 ( -0.116 -0.333 1.235) 1.284 5.943 ( 4.197 -1.110 -5.373) 6.908 6.006 ( 2.818 -0.026 2.819) 3.986 6.039 ( 1.525 1.393 -2.104) 2.948 6.247 ( 0.095 -2.985 1.552) 3.366 6.255 ( -0.071 -2.966 3.200) 4.363 6.392 ( -1.466 1.866 4.485) 5.074 6.564 ( 2.890 3.891 -5.638) 7.435 6.851 ( 1.378 0.120 -0.014) 1.383 6.891 ( 3.307 -1.957 0.075) 3.843 7.323 ( 0.114 1.195 -2.125) 2.441 7.356 ( 2.164 -0.492 0.832) 2.370 7.609 ( -5.429 4.499 2.182) 7.381 7.671 ( -3.748 3.074 -1.741) 5.150 7.889 ( -1.910 1.643 -0.631) 2.598 7.931 ( 2.274 -0.393 1.934) 3.011 8.126 ( -1.961 -1.889 -1.293) 3.015 8.313 ( 5.096 -2.021 -2.139) 5.884 8.444 ( -2.322 0.296 0.983) 2.539 8.488 ( 0.233 -1.233 3.823) 4.024 8.625 ( -1.892 0.951 3.161) 3.805 8.663 ( 0.147 -0.541 1.717) 1.806 8.744 ( 0.264 1.198 -0.706) 1.415 8.790 ( -0.351 1.234 -4.974) 5.136 11.851 ( 0.751 -0.594 1.880) 2.110 11.853 ( -0.512 -0.733 -2.472) 2.629 11.983 ( -1.223 0.904 1.899) 2.433 12.047 ( 0.929 0.899 -1.116) 1.708 15.308 ( -0.665 -1.847 0.860) 2.143 15.349 ( 0.928 -2.725 -0.650) 2.951 15.600 ( -0.253 0.955 3.781) 3.908 15.662 ( 0.877 -0.097 -2.135) 2.310 15.817 ( -1.119 0.596 4.019) 4.214 15.886 ( -0.806 1.711 -1.874) 2.662 15.961 ( -0.772 0.959 -2.395) 2.693 15.972 ( -0.352 0.902 -2.239) 2.439 16.231 ( -3.847 -1.448 -0.770) 4.182 16.303 ( -2.634 -0.566 0.397) 2.723 16.464 ( 7.275 0.271 5.913) 9.379 16.555 ( 6.604 1.542 -1.906) 7.044 ======================= Grid point 134 (69/72) ======================= q-point: (-0.14 -0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( -2.796 -1.879 1.489) 3.683 1.088 ( -0.130 -0.364 1.202) 1.263 1.199 ( -11.021 -7.558 8.955) 16.087 1.528 ( -2.187 -2.956 2.560) 4.480 1.581 ( -1.829 -5.893 -4.486) 7.629 1.808 ( -6.810 -6.619 -1.062) 9.556 1.884 ( -2.158 0.889 3.367) 4.097 2.023 ( 1.227 -1.388 -1.625) 2.464 2.055 ( -4.789 2.768 -4.741) 7.285 2.111 ( 5.645 4.395 -5.257) 8.878 2.264 ( 0.129 3.336 3.453) 4.803 2.397 ( 1.350 6.232 -2.363) 6.800 2.505 ( 2.337 0.164 3.777) 4.444 2.555 ( 1.614 2.572 -1.015) 3.202 2.607 ( 1.984 2.316 -0.432) 3.080 2.676 ( 2.758 0.578 5.412) 6.101 2.722 ( -2.201 5.633 0.226) 6.052 2.817 ( -1.402 1.769 2.163) 3.126 3.008 ( -5.689 -3.825 1.733) 7.071 3.098 ( -2.382 0.651 -3.716) 4.462 3.226 ( -0.622 -3.034 4.051) 5.099 3.325 ( -2.588 -7.081 -5.514) 9.341 3.408 ( 1.290 -2.547 0.123) 2.858 3.440 ( 2.055 -3.167 1.146) 3.945 3.853 ( 2.295 -0.217 7.049) 7.416 3.890 ( 3.189 1.103 2.321) 4.096 3.925 ( 3.005 -0.993 -2.929) 4.312 3.988 ( 0.358 0.291 1.691) 1.752 4.094 ( -4.371 -2.689 -1.764) 5.426 4.179 ( 0.652 -0.771 0.835) 1.310 4.251 ( 0.376 0.078 0.286) 0.479 4.286 ( -0.902 -0.155 -2.345) 2.517 4.424 ( 0.685 -0.265 -4.047) 4.113 4.458 ( 3.963 1.111 0.674) 4.170 4.506 ( -2.117 0.791 1.870) 2.933 4.599 ( -4.695 -0.448 -0.947) 4.810 4.727 ( -0.889 -1.477 -5.931) 6.177 4.910 ( 1.991 2.773 7.246) 8.010 5.027 ( -1.465 3.795 -9.752) 10.566 5.072 ( 1.798 -2.078 0.536) 2.799 5.298 ( -3.890 -1.215 -0.016) 4.076 5.382 ( -3.770 -1.011 -2.289) 4.525 5.674 ( 4.403 1.195 2.700) 5.301 5.730 ( 0.965 -0.443 1.537) 1.869 5.756 ( 2.126 0.894 0.852) 2.459 5.991 ( 1.897 -2.101 -5.813) 6.465 6.048 ( 2.552 0.056 1.768) 3.105 6.062 ( 4.313 -1.971 -0.425) 4.761 6.239 ( -1.350 2.514 6.375) 6.984 6.335 ( -0.180 -1.359 4.010) 4.238 6.373 ( -0.410 -2.505 -0.840) 2.673 6.491 ( 2.044 4.969 -5.947) 8.015 6.878 ( 2.807 -1.539 1.030) 3.363 6.963 ( 3.620 -1.730 -0.739) 4.079 7.245 ( -2.256 5.521 -0.040) 5.964 7.372 ( 0.187 1.739 -0.543) 1.831 7.492 ( -2.236 3.180 0.923) 3.995 7.623 ( -0.269 -0.161 -2.177) 2.199 7.820 ( -1.791 2.865 -2.110) 3.983 7.950 ( 0.616 -0.074 0.794) 1.008 8.165 ( -1.714 -3.870 0.863) 4.320 8.379 ( 3.059 -0.793 0.764) 3.251 8.426 ( -1.630 -0.392 0.555) 1.766 8.497 ( -2.563 0.122 2.416) 3.524 8.601 ( 0.982 0.776 2.979) 3.231 8.665 ( -1.005 -0.199 -1.073) 1.484 8.716 ( -0.448 1.881 0.360) 1.967 8.772 ( 0.694 0.100 -2.458) 2.556 11.865 ( -0.042 -1.093 -1.724) 2.041 11.877 ( 0.401 -1.390 1.619) 2.171 11.953 ( -0.993 1.397 1.753) 2.452 12.028 ( 0.572 1.690 -1.657) 2.435 15.350 ( -0.397 -2.909 0.836) 3.053 15.414 ( 1.115 -2.864 -0.997) 3.231 15.578 ( -0.762 1.099 2.912) 3.204 15.663 ( 1.145 1.005 -2.378) 2.825 15.795 ( -1.150 0.739 3.656) 3.903 15.849 ( -0.874 1.032 2.632) 2.959 15.932 ( -0.541 1.188 -2.221) 2.576 15.953 ( 0.263 0.340 -4.752) 4.771 16.239 ( -2.228 -2.329 0.177) 3.228 16.296 ( -1.912 -0.829 -0.085) 2.085 16.511 ( 4.260 1.171 3.992) 5.955 16.563 ( 5.629 3.494 -1.633) 6.823 ======================= Grid point 140 (70/72) ======================= q-point: (-0.29 -0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( -4.473 0.000 0.982) 4.579 1.079 ( 2.137 -0.000 -0.339) 2.164 1.264 ( -13.885 0.000 12.609) 18.756 1.395 ( -6.510 0.000 2.251) 6.888 1.450 ( -11.370 0.000 -3.083) 11.781 1.644 ( -10.352 0.000 -7.525) 12.798 1.859 ( -6.907 0.000 6.929) 9.784 1.968 ( 4.603 -0.000 -2.341) 5.164 2.171 ( 6.352 -0.000 -0.566) 6.377 2.203 ( 0.997 -0.000 -0.720) 1.230 2.307 ( -3.745 0.000 27.418) 27.673 2.392 ( 0.137 -0.000 1.902) 1.906 2.487 ( 6.301 -0.000 -2.315) 6.713 2.508 ( 4.470 -0.000 -8.979) 10.030 2.658 ( 1.895 -0.000 -0.729) 2.030 2.789 ( 1.417 -0.000 -6.542) 6.693 2.860 ( -3.895 0.000 8.307) 9.175 2.983 ( 2.007 -0.000 -3.841) 4.334 3.008 ( 0.624 -0.000 -2.456) 2.534 3.056 ( -1.299 0.000 -3.037) 3.303 3.135 ( -0.238 0.000 -3.287) 3.296 3.169 ( -0.175 0.000 0.664) 0.687 3.324 ( -3.159 0.000 -3.513) 4.724 3.348 ( -3.285 0.000 -5.316) 6.249 3.823 ( 2.165 -0.000 12.134) 12.326 3.888 ( 3.351 -0.000 0.406) 3.376 3.928 ( 0.308 -0.000 5.422) 5.431 4.027 ( -3.706 0.000 -4.200) 5.601 4.069 ( -0.492 0.000 3.653) 3.686 4.101 ( -1.135 0.000 -2.730) 2.957 4.294 ( 0.557 -0.000 -5.806) 5.832 4.336 ( -3.061 0.000 -2.447) 3.919 4.406 ( 0.791 -0.000 -4.858) 4.922 4.424 ( 3.898 -0.000 9.224) 10.013 4.460 ( -2.070 0.000 -5.804) 6.162 4.619 ( -5.562 0.000 5.067) 7.524 4.668 ( 4.071 -0.000 -7.598) 8.620 4.989 ( 0.673 -0.000 -3.519) 3.583 5.001 ( 0.984 -0.000 12.508) 12.547 5.136 ( 0.328 -0.000 -11.964) 11.968 5.265 ( -4.512 0.000 -2.221) 5.029 5.370 ( -4.388 0.000 -2.190) 4.904 5.705 ( 4.973 -0.000 5.985) 7.781 5.720 ( 5.596 -0.000 2.856) 6.283 5.793 ( 3.604 -0.000 2.764) 4.542 5.946 ( 1.756 -0.000 -6.615) 6.844 6.048 ( 4.594 -0.000 1.995) 5.009 6.081 ( 2.819 -0.000 -4.020) 4.909 6.175 ( -1.402 0.000 4.453) 4.669 6.266 ( 2.599 -0.000 -0.635) 2.675 6.407 ( -0.960 0.000 7.133) 7.197 6.622 ( 2.747 -0.000 -5.574) 6.214 6.882 ( 4.157 -0.000 0.356) 4.172 6.899 ( 3.471 -0.000 0.277) 3.482 7.338 ( 1.486 -0.000 1.186) 1.901 7.363 ( 0.629 -0.000 -1.235) 1.386 7.604 ( -5.045 0.000 -0.517) 5.071 7.644 ( -7.756 0.000 0.682) 7.786 7.902 ( -0.029 0.000 3.308) 3.308 7.937 ( 1.196 -0.000 1.589) 1.989 8.107 ( -0.396 0.000 -3.804) 3.824 8.329 ( 3.957 -0.000 -2.994) 4.962 8.418 ( -3.684 0.000 -2.551) 4.481 8.475 ( -1.689 0.000 6.367) 6.588 8.622 ( -0.051 0.000 0.227) 0.232 8.683 ( 2.551 -0.000 4.290) 4.991 8.755 ( -0.383 0.000 -0.366) 0.529 8.784 ( -1.322 0.000 -5.801) 5.950 11.840 ( -0.195 0.000 -2.366) 2.374 11.852 ( 0.249 -0.000 1.593) 1.612 11.985 ( -0.828 0.000 2.135) 2.290 12.062 ( 0.679 -0.000 -1.116) 1.307 15.283 ( -0.646 0.000 -0.060) 0.649 15.327 ( 0.261 -0.000 0.419) 0.494 15.616 ( 0.299 -0.000 3.475) 3.488 15.664 ( 0.896 -0.000 -1.505) 1.752 15.818 ( -1.038 0.000 4.048) 4.179 15.893 ( -0.717 0.000 -4.331) 4.390 15.947 ( -2.430 0.000 -2.204) 3.281 15.976 ( -0.859 0.000 -0.578) 1.036 16.182 ( -2.820 0.000 -1.203) 3.066 16.270 ( -3.022 0.000 0.611) 3.083 16.572 ( 11.426 -0.000 6.480) 13.136 16.636 ( 7.768 -0.000 -1.262) 7.869 ======================= Grid point 141 (71/72) ======================= q-point: (-0.14 -0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( -9.263 -3.603 6.874) 12.084 1.015 ( -9.974 4.698 12.710) 16.826 1.115 ( 0.447 0.386 0.366) 0.695 1.411 ( -6.315 -4.638 -4.711) 9.143 1.445 ( -4.238 -6.921 -0.270) 8.120 1.579 ( -12.696 -5.996 -7.722) 16.024 1.835 ( -3.766 -1.446 6.954) 8.039 2.009 ( 1.395 -1.046 -3.608) 4.007 2.156 ( 5.202 6.387 0.807) 8.277 2.235 ( 5.435 -0.032 1.606) 5.668 2.322 ( -1.445 3.516 8.800) 9.586 2.419 ( -0.582 -1.715 5.362) 5.660 2.492 ( 3.726 -3.240 1.517) 5.166 2.596 ( 1.927 -2.441 2.211) 3.816 2.649 ( 0.602 2.354 -0.917) 2.597 2.728 ( -0.002 6.228 -3.297) 7.047 2.801 ( -0.148 3.792 4.565) 5.936 2.885 ( -2.575 8.370 -1.963) 8.975 3.007 ( 1.047 0.520 -5.667) 5.786 3.083 ( 0.478 -1.179 -5.351) 5.500 3.153 ( -4.586 -3.468 -0.921) 5.823 3.182 ( -2.346 -2.968 -2.478) 4.522 3.327 ( -0.820 -5.045 2.178) 5.556 3.373 ( -0.669 -4.876 -4.910) 6.952 3.857 ( -0.021 -0.955 10.040) 10.086 3.931 ( 4.110 -0.848 1.057) 4.328 3.973 ( 5.341 -0.633 2.070) 5.763 4.003 ( -2.580 -0.303 -3.074) 4.025 4.021 ( -0.946 1.580 2.103) 2.796 4.138 ( -0.757 -2.736 0.854) 2.965 4.268 ( -0.740 1.623 -4.677) 5.006 4.274 ( -2.743 1.098 -3.930) 4.917 4.419 ( 0.522 -0.611 -3.268) 3.365 4.455 ( -3.667 -3.196 -2.406) 5.427 4.504 ( 5.149 -1.125 3.238) 6.186 4.573 ( -2.912 1.678 5.207) 6.197 4.698 ( 2.134 -0.788 -8.330) 8.635 4.967 ( -0.907 1.609 1.183) 2.193 5.040 ( 0.506 -1.219 6.764) 6.892 5.086 ( 0.109 3.224 -8.920) 9.486 5.240 ( -3.126 -1.106 -1.930) 3.837 5.337 ( -2.226 -0.208 -3.217) 3.917 5.737 ( 2.800 0.959 4.705) 5.559 5.760 ( 2.694 1.317 4.052) 5.040 5.808 ( 3.760 1.540 2.641) 4.846 5.957 ( 0.317 -1.046 -6.806) 6.893 6.077 ( 2.060 0.407 1.220) 2.428 6.097 ( 5.874 0.044 -2.296) 6.307 6.251 ( -0.532 -5.558 4.037) 6.890 6.281 ( 2.464 0.857 0.757) 2.717 6.388 ( -0.345 2.222 5.009) 5.490 6.594 ( 1.572 4.276 -5.374) 7.045 6.907 ( 4.956 0.691 0.610) 5.041 6.971 ( 5.334 -1.977 0.416) 5.704 7.311 ( -1.638 3.407 -0.367) 3.798 7.377 ( -1.721 -0.327 0.279) 1.774 7.522 ( -3.032 2.366 1.728) 4.216 7.599 ( -2.659 -0.775 -2.497) 3.729 7.865 ( -0.417 3.195 0.067) 3.223 7.961 ( 0.094 0.495 2.691) 2.738 8.100 ( -0.344 -1.533 -1.990) 2.535 8.373 ( -3.898 -2.711 -1.907) 5.116 8.388 ( 1.665 -0.231 -0.805) 1.864 8.474 ( -2.525 -1.103 4.275) 5.086 8.625 ( 1.591 0.689 0.585) 1.830 8.689 ( 1.439 2.154 3.124) 4.058 8.739 ( -0.513 1.027 -0.737) 1.365 8.768 ( -0.482 -0.136 -4.206) 4.236 11.845 ( 0.240 -0.770 -2.152) 2.298 11.860 ( -0.374 -0.753 1.447) 1.673 11.973 ( -0.288 1.001 2.387) 2.604 12.055 ( 0.307 1.006 -1.541) 1.866 15.299 ( -0.262 -2.147 0.455) 2.210 15.360 ( 0.187 -3.119 -1.047) 3.295 15.606 ( -0.004 1.605 3.376) 3.738 15.678 ( 1.165 -0.227 -1.644) 2.027 15.805 ( -0.976 0.836 3.228) 3.474 15.864 ( -1.154 1.206 0.337) 1.703 15.929 ( -1.845 -0.310 -3.025) 3.556 15.957 ( -0.649 0.692 -2.395) 2.576 16.179 ( -1.380 -1.809 -0.495) 2.328 16.255 ( -2.495 -1.084 0.206) 2.728 16.630 ( 8.154 4.529 5.241) 10.699 16.688 ( 8.215 2.840 -1.061) 8.756 ======================= Grid point 148 (72/72) ======================= q-point: (-0.14 -0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( -11.892 0.000 13.013) 17.629 1.034 ( -11.758 0.000 19.415) 22.698 1.139 ( 1.939 -0.000 -1.233) 2.297 1.217 ( -7.826 0.000 4.324) 8.941 1.346 ( -1.417 0.000 -13.365) 13.440 1.390 ( -12.352 0.000 -13.776) 18.502 1.812 ( -2.028 0.000 16.949) 17.070 2.012 ( 1.728 -0.000 -3.175) 3.615 2.232 ( -1.270 0.000 13.660) 13.719 2.295 ( 5.683 -0.000 2.293) 6.128 2.383 ( 5.557 -0.000 8.283) 9.974 2.395 ( 0.919 -0.000 0.729) 1.173 2.552 ( 2.183 -0.000 -3.713) 4.307 2.587 ( 4.698 -0.000 -2.715) 5.426 2.640 ( -3.748 0.000 -1.794) 4.155 2.821 ( 4.561 -0.000 -11.863) 12.709 2.823 ( -2.651 0.000 9.599) 9.958 2.981 ( -2.345 0.000 -1.842) 2.982 2.996 ( -1.412 0.000 -2.775) 3.113 3.030 ( -0.326 0.000 -5.249) 5.259 3.088 ( -2.438 0.000 -5.171) 5.717 3.141 ( -2.409 0.000 -0.206) 2.418 3.271 ( -1.627 0.000 -5.578) 5.810 3.272 ( -2.172 0.000 -0.722) 2.289 3.855 ( -0.918 0.000 11.143) 11.180 3.956 ( 1.791 -0.000 5.036) 5.345 3.979 ( 1.426 -0.000 -6.134) 6.297 3.981 ( 1.119 -0.000 4.468) 4.606 4.080 ( -0.273 0.000 -1.962) 1.981 4.090 ( 1.981 -0.000 3.170) 3.738 4.246 ( -4.709 0.000 -3.318) 5.761 4.280 ( -0.252 0.000 -7.988) 7.992 4.366 ( -5.258 0.000 -1.052) 5.363 4.407 ( 1.158 -0.000 -7.565) 7.653 4.540 ( 1.614 -0.000 7.934) 8.096 4.605 ( 5.478 -0.000 5.328) 7.641 4.705 ( 2.110 -0.000 -8.152) 8.421 4.953 ( -3.277 0.000 -3.150) 4.546 5.049 ( 0.243 -0.000 10.640) 10.643 5.117 ( 0.490 -0.000 -8.491) 8.505 5.205 ( -1.260 0.000 -2.134) 2.478 5.318 ( -0.989 0.000 -3.280) 3.426 5.766 ( 0.435 -0.000 7.627) 7.639 5.801 ( 1.414 -0.000 6.915) 7.058 5.876 ( 4.411 -0.000 0.584) 4.450 5.945 ( 0.874 -0.000 -8.010) 8.057 6.112 ( 1.076 -0.000 -0.148) 1.086 6.145 ( 4.598 -0.000 -4.993) 6.788 6.183 ( 0.862 -0.000 6.637) 6.693 6.311 ( 2.675 -0.000 -3.113) 4.104 6.426 ( 1.043 -0.000 8.163) 8.229 6.640 ( 0.318 -0.000 -5.372) 5.381 6.986 ( 6.299 -0.000 1.425) 6.458 6.992 ( 7.346 -0.000 1.117) 7.430 7.333 ( -4.803 0.000 1.575) 5.054 7.334 ( -3.262 0.000 -0.197) 3.268 7.536 ( -2.908 0.000 0.730) 2.998 7.544 ( -0.859 0.000 -1.971) 2.150 7.925 ( 2.406 -0.000 1.806) 3.009 7.958 ( 0.447 -0.000 3.906) 3.932 8.096 ( 0.536 -0.000 -4.557) 4.588 8.276 ( -8.092 0.000 -2.429) 8.449 8.404 ( 1.888 -0.000 -2.296) 2.973 8.427 ( -4.046 0.000 4.284) 5.893 8.656 ( 2.026 -0.000 3.387) 3.946 8.742 ( -0.040 0.000 -1.752) 1.753 8.742 ( 1.117 0.000 -0.894) 1.431 8.754 ( 0.706 -0.000 -3.370) 3.443 11.839 ( 0.622 -0.000 -1.958) 2.054 11.847 ( -1.016 0.000 1.020) 1.439 11.987 ( 0.308 -0.000 2.807) 2.824 12.064 ( -0.045 0.000 -1.576) 1.576 15.277 ( 0.021 -0.000 0.235) 0.236 15.321 ( -0.846 0.000 -0.327) 0.907 15.634 ( 0.943 -0.000 2.593) 2.759 15.679 ( 0.830 -0.000 -0.842) 1.182 15.812 ( -0.682 0.000 3.551) 3.616 15.867 ( -0.863 0.000 -3.764) 3.861 15.894 ( -2.919 0.000 0.316) 2.936 15.953 ( -1.061 0.000 -2.231) 2.470 16.156 ( 0.044 -0.000 -0.096) 0.105 16.222 ( -2.349 0.000 0.044) 2.349 16.771 ( 6.433 -0.000 0.974) 6.507 16.804 ( 11.174 -0.000 1.592) 11.287 =================== 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 3/20580 10.0 183.814 236.136 191.783 -0.000 -14.416 -0.000 3/20580 20.0 34.527 43.948 35.475 0.000 -3.459 -0.000 3/20580 30.0 15.177 18.860 15.768 0.000 -1.800 -0.000 3/20580 40.0 9.131 11.138 9.516 0.000 -1.156 -0.000 3/20580 50.0 6.384 7.696 6.694 0.000 -0.833 -0.000 3/20580 60.0 4.870 5.822 5.144 0.000 -0.646 -0.000 3/20580 70.0 3.930 4.667 4.180 0.000 -0.526 -0.000 3/20580 80.0 3.295 3.892 3.526 0.000 -0.443 -0.000 3/20580 90.0 2.840 3.340 3.054 0.000 -0.383 -0.000 3/20580 100.0 2.498 2.928 2.698 0.000 -0.338 -0.000 3/20580 110.0 2.232 2.609 2.420 0.000 -0.302 -0.000 3/20580 120.0 2.019 2.354 2.196 0.000 -0.273 -0.000 3/20580 130.0 1.845 2.147 2.012 0.000 -0.250 -0.000 3/20580 140.0 1.700 1.975 1.858 0.000 -0.230 -0.000 3/20580 150.0 1.577 1.829 1.727 0.000 -0.214 -0.000 3/20580 160.0 1.471 1.704 1.614 0.000 -0.199 -0.000 3/20580 170.0 1.379 1.596 1.515 0.000 -0.187 -0.000 3/20580 180.0 1.299 1.501 1.429 0.000 -0.176 -0.000 3/20580 190.0 1.227 1.417 1.352 0.000 -0.166 -0.000 3/20580 200.0 1.164 1.343 1.283 0.000 -0.158 -0.000 3/20580 210.0 1.106 1.276 1.222 0.000 -0.150 -0.000 3/20580 220.0 1.055 1.216 1.166 0.000 -0.143 -0.000 3/20580 230.0 1.008 1.162 1.115 0.000 -0.137 -0.000 3/20580 240.0 0.965 1.112 1.069 0.000 -0.131 -0.000 3/20580 250.0 0.926 1.066 1.026 0.000 -0.126 -0.000 3/20580 260.0 0.890 1.024 0.987 0.000 -0.121 -0.000 3/20580 270.0 0.857 0.986 0.951 0.000 -0.116 -0.000 3/20580 280.0 0.826 0.950 0.918 0.000 -0.112 -0.000 3/20580 290.0 0.798 0.917 0.886 0.000 -0.108 -0.000 3/20580 300.0 0.771 0.886 0.857 0.000 -0.105 -0.000 3/20580 310.0 0.746 0.858 0.830 0.000 -0.101 -0.000 3/20580 320.0 0.723 0.831 0.805 0.000 -0.098 -0.000 3/20580 330.0 0.701 0.805 0.781 0.000 -0.095 -0.000 3/20580 340.0 0.681 0.782 0.758 0.000 -0.092 -0.000 3/20580 350.0 0.661 0.759 0.737 0.000 -0.090 -0.000 3/20580 360.0 0.643 0.738 0.717 0.000 -0.087 -0.000 3/20580 370.0 0.626 0.718 0.698 0.000 -0.085 -0.000 3/20580 380.0 0.609 0.699 0.680 0.000 -0.083 -0.000 3/20580 390.0 0.594 0.681 0.663 0.000 -0.081 -0.000 3/20580 400.0 0.579 0.665 0.647 0.000 -0.079 -0.000 3/20580 410.0 0.565 0.648 0.631 0.000 -0.077 -0.000 3/20580 420.0 0.552 0.633 0.617 0.000 -0.075 -0.000 3/20580 430.0 0.539 0.618 0.603 0.000 -0.073 -0.000 3/20580 440.0 0.527 0.604 0.589 0.000 -0.072 -0.000 3/20580 450.0 0.515 0.591 0.576 0.000 -0.070 -0.000 3/20580 460.0 0.504 0.578 0.564 0.000 -0.068 -0.000 3/20580 470.0 0.494 0.566 0.552 0.000 -0.067 -0.000 3/20580 480.0 0.483 0.554 0.541 0.000 -0.066 -0.000 3/20580 490.0 0.474 0.543 0.530 0.000 -0.064 -0.000 3/20580 500.0 0.464 0.532 0.520 0.000 -0.063 -0.000 3/20580 510.0 0.455 0.522 0.510 0.000 -0.062 -0.000 3/20580 520.0 0.447 0.512 0.500 0.000 -0.061 -0.000 3/20580 530.0 0.438 0.502 0.491 0.000 -0.060 -0.000 3/20580 540.0 0.430 0.493 0.482 0.000 -0.058 -0.000 3/20580 550.0 0.422 0.484 0.474 0.000 -0.057 -0.000 3/20580 560.0 0.415 0.476 0.466 0.000 -0.056 -0.000 3/20580 570.0 0.408 0.467 0.458 0.000 -0.055 -0.000 3/20580 580.0 0.401 0.459 0.450 0.000 -0.055 -0.000 3/20580 590.0 0.394 0.452 0.442 0.000 -0.054 -0.000 3/20580 600.0 0.388 0.444 0.435 0.000 -0.053 -0.000 3/20580 610.0 0.381 0.437 0.428 0.000 -0.052 -0.000 3/20580 620.0 0.375 0.430 0.421 0.000 -0.051 -0.000 3/20580 630.0 0.369 0.423 0.415 0.000 -0.050 -0.000 3/20580 640.0 0.364 0.417 0.408 0.000 -0.049 -0.000 3/20580 650.0 0.358 0.410 0.402 0.000 -0.049 -0.000 3/20580 660.0 0.353 0.404 0.396 0.000 -0.048 -0.000 3/20580 670.0 0.348 0.398 0.391 0.000 -0.047 -0.000 3/20580 680.0 0.342 0.392 0.385 0.000 -0.047 -0.000 3/20580 690.0 0.338 0.387 0.379 0.000 -0.046 -0.000 3/20580 700.0 0.333 0.381 0.374 0.000 -0.045 -0.000 3/20580 710.0 0.328 0.376 0.369 0.000 -0.045 -0.000 3/20580 720.0 0.324 0.371 0.364 0.000 -0.044 -0.000 3/20580 730.0 0.319 0.366 0.359 0.000 -0.043 -0.000 3/20580 740.0 0.315 0.361 0.354 0.000 -0.043 -0.000 3/20580 750.0 0.311 0.356 0.350 0.000 -0.042 -0.000 3/20580 760.0 0.307 0.351 0.345 0.000 -0.042 -0.000 3/20580 770.0 0.303 0.347 0.341 0.000 -0.041 -0.000 3/20580 780.0 0.299 0.343 0.336 0.000 -0.041 -0.000 3/20580 790.0 0.295 0.338 0.332 0.000 -0.040 -0.000 3/20580 800.0 0.292 0.334 0.328 0.000 -0.040 -0.000 3/20580 810.0 0.288 0.330 0.324 0.000 -0.039 -0.000 3/20580 820.0 0.285 0.326 0.320 0.000 -0.039 -0.000 3/20580 830.0 0.281 0.322 0.317 0.000 -0.038 -0.000 3/20580 840.0 0.278 0.318 0.313 0.000 -0.038 -0.000 3/20580 850.0 0.275 0.315 0.309 0.000 -0.037 -0.000 3/20580 860.0 0.271 0.311 0.306 0.000 -0.037 -0.000 3/20580 870.0 0.268 0.307 0.302 0.000 -0.037 -0.000 3/20580 880.0 0.265 0.304 0.299 0.000 -0.036 -0.000 3/20580 890.0 0.262 0.301 0.296 0.000 -0.036 -0.000 3/20580 900.0 0.259 0.297 0.292 0.000 -0.035 -0.000 3/20580 910.0 0.257 0.294 0.289 0.000 -0.035 -0.000 3/20580 920.0 0.254 0.291 0.286 0.000 -0.035 -0.000 3/20580 930.0 0.251 0.288 0.283 0.000 -0.034 -0.000 3/20580 940.0 0.249 0.285 0.280 0.000 -0.034 -0.000 3/20580 950.0 0.246 0.282 0.277 0.000 -0.034 -0.000 3/20580 960.0 0.243 0.279 0.274 0.000 -0.033 -0.000 3/20580 970.0 0.241 0.276 0.272 0.000 -0.033 -0.000 3/20580 980.0 0.238 0.273 0.269 0.000 -0.033 -0.000 3/20580 990.0 0.236 0.270 0.266 0.000 -0.032 -0.000 3/20580 1000.0 0.234 0.268 0.264 0.000 -0.032 -0.000 3/20580 Thermal conductivity related properties were written into "kappa-m775.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 16:56:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|