----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 06:45:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] 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 7.036634226795709 -6.248828175000002 0.000000000000000 b 7.036634226795709 6.248828175000002 0.000000000000000 c -2.412669873309033 0.000000000000000 5.355167394891296 Atomic positions (fractional): *1 Na 0.18428848241044 0.01494345725184 0.05250761898780 22.990 2 Na 0.98505654274816 0.81571151758956 0.44749238101220 22.990 3 Na 0.81571151758956 0.98505654274816 0.94749238101220 22.990 4 Na 0.01494345725184 0.18428848241044 0.55250761898780 22.990 *5 Na 0.29084606402516 0.70915393597484 0.25000000000000 22.990 6 Na 0.70915393597484 0.29084606402516 0.75000000000000 22.990 *7 Na 0.56281752157754 0.43718247842246 0.25000000000000 22.990 8 Na 0.43718247842247 0.56281752157753 0.75000000000000 22.990 *9 S 0.01380135457456 0.75596280829923 0.93692869730386 32.065 10 S 0.75596280829923 0.01380135457456 0.43692869730387 32.065 11 S 0.98619864542544 0.24403719170077 0.06307130269614 32.065 *12 S 0.85105482547113 0.43036599157277 0.54927625430715 32.065 13 S 0.56963400842723 0.14894517452887 0.95072374569285 32.065 14 S 0.14894517452887 0.56963400842723 0.45072374569285 32.065 15 S 0.24403719170077 0.98619864542544 0.56307130269614 32.065 16 S 0.43036599157277 0.85105482547113 0.04927625430715 32.065 *17 S 0.75630031614668 0.60876590393540 0.10251862826897 32.065 18 S 0.39123409606460 0.24369968385332 0.39748137173103 32.065 19 S 0.24369968385332 0.39123409606460 0.89748137173104 32.065 20 S 0.60876590393540 0.75630031614668 0.60251862826896 32.065 *21 Mn 0.47011243696141 0.93377851018734 0.77050618252045 54.938 22 Mn 0.52988756303859 0.06622148981266 0.22949381747955 54.938 23 Mn 0.93377851018734 0.47011243696141 0.27050618252045 54.938 *24 Mn 0.79928602903045 0.64109191425596 0.78624265248724 54.938 25 Mn 0.35890808574404 0.20071397096955 0.71375734751276 54.938 26 Mn 0.20071397096955 0.35890808574404 0.21375734751277 54.938 27 Mn 0.64109191425596 0.79928602903045 0.28624265248724 54.938 28 Mn 0.06622148981266 0.52988756303859 0.72949381747955 54.938 -------------------------------- unit cell --------------------------------- Lattice vectors: a 14.073268453591417 0.000000000000000 0.000000000000000 b 0.000000000000000 12.497656350000003 0.000000000000000 c -2.412669873309033 0.000000000000000 5.355167394891296 Atomic positions (fractional): *1 Na 0.59961596983114 0.41532748742070 0.05250761898780 22.990 > 1 2 Na 0.40038403016886 0.41532748742070 0.44749238101220 22.990 > 2 3 Na 0.40038403016886 0.58467251257930 0.94749238101220 22.990 > 3 4 Na 0.59961596983114 0.58467251257930 0.55250761898780 22.990 > 4 *5 Na 0.00000000000000 0.70915393597484 0.25000000000000 22.990 > 5 6 Na 0.00000000000000 0.29084606402516 0.75000000000000 22.990 > 6 *7 Na 0.00000000000000 0.43718247842246 0.25000000000000 22.990 > 7 8 Na 0.00000000000000 0.56281752157753 0.75000000000000 22.990 > 8 9 Na 0.09961596983114 0.91532748742070 0.05250761898780 22.990 > 1 10 Na 0.90038403016886 0.91532748742070 0.44749238101220 22.990 > 2 11 Na 0.90038403016886 0.08467251257930 0.94749238101220 22.990 > 3 12 Na 0.09961596983114 0.08467251257930 0.55250761898780 22.990 > 4 13 Na 0.50000000000000 0.20915393597484 0.25000000000000 22.990 > 5 14 Na 0.50000000000000 0.79084606402516 0.75000000000000 22.990 > 6 15 Na 0.50000000000000 0.93718247842247 0.25000000000000 22.990 > 7 16 Na 0.50000000000000 0.06281752157753 0.75000000000000 22.990 > 8 *17 S 0.88488208143689 0.87108072686234 0.93692869730386 32.065 > 9 18 S 0.88488208143689 0.12891927313766 0.43692869730387 32.065 > 10 19 S 0.11511791856311 0.12891927313766 0.06307130269614 32.065 > 11 *20 S 0.14071040852195 0.28965558305082 0.54927625430715 32.065 > 12 21 S 0.85928959147805 0.28965558305082 0.95072374569285 32.065 > 13 22 S 0.85928959147805 0.71034441694918 0.45072374569285 32.065 > 14 23 S 0.11511791856311 0.87108072686234 0.56307130269614 32.065 > 15 24 S 0.14071040852195 0.71034441694918 0.04927625430715 32.065 > 16 *25 S 0.18253311004104 0.42623279389436 0.10251862826897 32.065 > 17 26 S 0.81746688995896 0.42623279389436 0.39748137173103 32.065 > 18 27 S 0.81746688995896 0.57376720610564 0.89748137173104 32.065 > 19 28 S 0.18253311004104 0.57376720610564 0.60251862826896 32.065 > 20 29 S 0.38488208143690 0.37108072686234 0.93692869730386 32.065 > 9 30 S 0.38488208143690 0.62891927313766 0.43692869730387 32.065 > 10 31 S 0.61511791856311 0.62891927313766 0.06307130269614 32.065 > 11 32 S 0.64071040852195 0.78965558305082 0.54927625430715 32.065 > 12 33 S 0.35928959147805 0.78965558305082 0.95072374569285 32.065 > 13 34 S 0.35928959147805 0.21034441694918 0.45072374569285 32.065 > 14 35 S 0.61511791856311 0.37108072686234 0.56307130269614 32.065 > 15 36 S 0.64071040852195 0.21034441694918 0.04927625430715 32.065 > 16 37 S 0.68253311004104 0.92623279389436 0.10251862826897 32.065 > 17 38 S 0.31746688995896 0.92623279389436 0.39748137173103 32.065 > 18 39 S 0.31746688995896 0.07376720610564 0.89748137173104 32.065 > 19 40 S 0.68253311004104 0.07376720610564 0.60251862826896 32.065 > 20 *41 Mn 0.20194547357438 0.73183303661296 0.77050618252045 54.938 > 21 42 Mn 0.79805452642563 0.26816696338704 0.22949381747955 54.938 > 22 43 Mn 0.20194547357438 0.26816696338704 0.27050618252045 54.938 > 23 *44 Mn 0.22018897164321 0.42090294261276 0.78624265248724 54.938 > 24 45 Mn 0.77981102835679 0.42090294261276 0.71375734751276 54.938 > 25 46 Mn 0.77981102835679 0.57909705738725 0.21375734751277 54.938 > 26 47 Mn 0.22018897164321 0.57909705738725 0.28624265248724 54.938 > 27 48 Mn 0.79805452642563 0.73183303661296 0.72949381747955 54.938 > 28 49 Mn 0.70194547357437 0.23183303661296 0.77050618252045 54.938 > 21 50 Mn 0.29805452642563 0.76816696338704 0.22949381747955 54.938 > 22 51 Mn 0.70194547357437 0.76816696338704 0.27050618252045 54.938 > 23 52 Mn 0.72018897164321 0.92090294261275 0.78624265248724 54.938 > 24 53 Mn 0.27981102835679 0.92090294261275 0.71375734751276 54.938 > 25 54 Mn 0.27981102835679 0.07909705738724 0.21375734751277 54.938 > 26 55 Mn 0.72018897164321 0.07909705738724 0.28624265248724 54.938 > 27 56 Mn 0.29805452642563 0.23183303661296 0.72949381747955 54.938 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.073268453591417 0.000000000000000 0.000000000000000 b 0.000000000000000 12.497656350000003 0.000000000000000 c -4.825339746618066 0.000000000000000 10.710334789782593 Atomic positions (fractional): *1 Na 0.59961596983114 0.41532748742070 0.02625380949390 22.990 > 1 2 Na 0.59961596983114 0.41532748742070 0.52625380949390 22.990 > 1 3 Na 0.40038403016886 0.41532748742070 0.22374619050610 22.990 > 2 4 Na 0.40038403016886 0.41532748742070 0.72374619050610 22.990 > 2 5 Na 0.40038403016886 0.58467251257930 0.47374619050610 22.990 > 3 6 Na 0.40038403016886 0.58467251257930 0.97374619050610 22.990 > 3 7 Na 0.59961596983114 0.58467251257930 0.27625380949390 22.990 > 4 8 Na 0.59961596983114 0.58467251257930 0.77625380949390 22.990 > 4 *9 Na 0.00000000000000 0.70915393597484 0.12500000000000 22.990 > 5 10 Na 0.00000000000000 0.70915393597484 0.62500000000000 22.990 > 5 11 Na 0.00000000000000 0.29084606402516 0.37500000000000 22.990 > 6 12 Na 0.00000000000000 0.29084606402516 0.87500000000000 22.990 > 6 *13 Na 0.00000000000000 0.43718247842246 0.12500000000000 22.990 > 7 14 Na 0.00000000000000 0.43718247842246 0.62500000000000 22.990 > 7 15 Na 0.00000000000000 0.56281752157753 0.37500000000000 22.990 > 8 16 Na 0.00000000000000 0.56281752157753 0.87500000000000 22.990 > 8 17 Na 0.09961596983114 0.91532748742070 0.02625380949390 22.990 > 1 18 Na 0.09961596983114 0.91532748742070 0.52625380949390 22.990 > 1 19 Na 0.90038403016886 0.91532748742070 0.22374619050610 22.990 > 2 20 Na 0.90038403016886 0.91532748742070 0.72374619050610 22.990 > 2 21 Na 0.90038403016886 0.08467251257930 0.47374619050610 22.990 > 3 22 Na 0.90038403016886 0.08467251257930 0.97374619050610 22.990 > 3 23 Na 0.09961596983114 0.08467251257930 0.27625380949390 22.990 > 4 24 Na 0.09961596983114 0.08467251257930 0.77625380949390 22.990 > 4 25 Na 0.50000000000000 0.20915393597484 0.12500000000000 22.990 > 5 26 Na 0.50000000000000 0.20915393597484 0.62500000000000 22.990 > 5 27 Na 0.50000000000000 0.79084606402516 0.37500000000000 22.990 > 6 28 Na 0.50000000000000 0.79084606402516 0.87500000000000 22.990 > 6 29 Na 0.50000000000000 0.93718247842247 0.12500000000000 22.990 > 7 30 Na 0.50000000000000 0.93718247842247 0.62500000000000 22.990 > 7 31 Na 0.50000000000000 0.06281752157753 0.37500000000000 22.990 > 8 32 Na 0.50000000000000 0.06281752157753 0.87500000000000 22.990 > 8 *33 S 0.88488208143689 0.87108072686234 0.46846434865193 32.065 > 9 34 S 0.88488208143689 0.87108072686234 0.96846434865193 32.065 > 9 35 S 0.88488208143689 0.12891927313766 0.21846434865193 32.065 > 10 36 S 0.88488208143689 0.12891927313766 0.71846434865193 32.065 > 10 37 S 0.11511791856311 0.12891927313766 0.03153565134807 32.065 > 11 38 S 0.11511791856311 0.12891927313766 0.53153565134807 32.065 > 11 *39 S 0.14071040852195 0.28965558305082 0.27463812715357 32.065 > 12 40 S 0.14071040852195 0.28965558305082 0.77463812715357 32.065 > 12 41 S 0.85928959147805 0.28965558305082 0.47536187284643 32.065 > 13 42 S 0.85928959147805 0.28965558305082 0.97536187284643 32.065 > 13 43 S 0.85928959147805 0.71034441694918 0.22536187284643 32.065 > 14 44 S 0.85928959147805 0.71034441694918 0.72536187284643 32.065 > 14 45 S 0.11511791856311 0.87108072686234 0.28153565134807 32.065 > 15 46 S 0.11511791856311 0.87108072686234 0.78153565134807 32.065 > 15 47 S 0.14071040852195 0.71034441694918 0.02463812715357 32.065 > 16 48 S 0.14071040852195 0.71034441694918 0.52463812715357 32.065 > 16 *49 S 0.18253311004104 0.42623279389436 0.05125931413448 32.065 > 17 50 S 0.18253311004104 0.42623279389436 0.55125931413448 32.065 > 17 51 S 0.81746688995896 0.42623279389436 0.19874068586552 32.065 > 18 52 S 0.81746688995896 0.42623279389436 0.69874068586552 32.065 > 18 53 S 0.81746688995896 0.57376720610564 0.44874068586552 32.065 > 19 54 S 0.81746688995896 0.57376720610564 0.94874068586552 32.065 > 19 55 S 0.18253311004104 0.57376720610564 0.30125931413448 32.065 > 20 56 S 0.18253311004104 0.57376720610564 0.80125931413448 32.065 > 20 57 S 0.38488208143690 0.37108072686234 0.46846434865193 32.065 > 9 58 S 0.38488208143690 0.37108072686234 0.96846434865193 32.065 > 9 59 S 0.38488208143690 0.62891927313766 0.21846434865193 32.065 > 10 60 S 0.38488208143690 0.62891927313766 0.71846434865193 32.065 > 10 61 S 0.61511791856311 0.62891927313766 0.03153565134807 32.065 > 11 62 S 0.61511791856311 0.62891927313766 0.53153565134807 32.065 > 11 63 S 0.64071040852195 0.78965558305082 0.27463812715357 32.065 > 12 64 S 0.64071040852195 0.78965558305082 0.77463812715357 32.065 > 12 65 S 0.35928959147805 0.78965558305082 0.47536187284643 32.065 > 13 66 S 0.35928959147805 0.78965558305082 0.97536187284643 32.065 > 13 67 S 0.35928959147805 0.21034441694918 0.22536187284643 32.065 > 14 68 S 0.35928959147805 0.21034441694918 0.72536187284643 32.065 > 14 69 S 0.61511791856311 0.37108072686234 0.28153565134807 32.065 > 15 70 S 0.61511791856311 0.37108072686234 0.78153565134807 32.065 > 15 71 S 0.64071040852195 0.21034441694918 0.02463812715357 32.065 > 16 72 S 0.64071040852195 0.21034441694918 0.52463812715357 32.065 > 16 73 S 0.68253311004104 0.92623279389436 0.05125931413448 32.065 > 17 74 S 0.68253311004104 0.92623279389436 0.55125931413448 32.065 > 17 75 S 0.31746688995896 0.92623279389436 0.19874068586552 32.065 > 18 76 S 0.31746688995896 0.92623279389436 0.69874068586552 32.065 > 18 77 S 0.31746688995896 0.07376720610564 0.44874068586552 32.065 > 19 78 S 0.31746688995896 0.07376720610564 0.94874068586552 32.065 > 19 79 S 0.68253311004104 0.07376720610564 0.30125931413448 32.065 > 20 80 S 0.68253311004104 0.07376720610564 0.80125931413448 32.065 > 20 *81 Mn 0.20194547357438 0.73183303661296 0.38525309126022 54.938 > 21 82 Mn 0.20194547357438 0.73183303661296 0.88525309126022 54.938 > 21 83 Mn 0.79805452642563 0.26816696338704 0.11474690873978 54.938 > 22 84 Mn 0.79805452642563 0.26816696338704 0.61474690873978 54.938 > 22 85 Mn 0.20194547357438 0.26816696338704 0.13525309126022 54.938 > 23 86 Mn 0.20194547357438 0.26816696338704 0.63525309126022 54.938 > 23 *87 Mn 0.22018897164321 0.42090294261276 0.39312132624362 54.938 > 24 88 Mn 0.22018897164321 0.42090294261276 0.89312132624362 54.938 > 24 89 Mn 0.77981102835679 0.42090294261276 0.35687867375638 54.938 > 25 90 Mn 0.77981102835679 0.42090294261276 0.85687867375638 54.938 > 25 91 Mn 0.77981102835679 0.57909705738725 0.10687867375638 54.938 > 26 92 Mn 0.77981102835679 0.57909705738725 0.60687867375638 54.938 > 26 93 Mn 0.22018897164321 0.57909705738725 0.14312132624362 54.938 > 27 94 Mn 0.22018897164321 0.57909705738725 0.64312132624362 54.938 > 27 95 Mn 0.79805452642563 0.73183303661296 0.36474690873978 54.938 > 28 96 Mn 0.79805452642563 0.73183303661296 0.86474690873978 54.938 > 28 97 Mn 0.70194547357437 0.23183303661296 0.38525309126022 54.938 > 21 98 Mn 0.70194547357437 0.23183303661296 0.88525309126022 54.938 > 21 99 Mn 0.29805452642563 0.76816696338704 0.11474690873978 54.938 > 22 100 Mn 0.29805452642563 0.76816696338704 0.61474690873978 54.938 > 22 101 Mn 0.70194547357437 0.76816696338704 0.13525309126022 54.938 > 23 102 Mn 0.70194547357437 0.76816696338704 0.63525309126022 54.938 > 23 103 Mn 0.72018897164321 0.92090294261275 0.39312132624362 54.938 > 24 104 Mn 0.72018897164321 0.92090294261275 0.89312132624362 54.938 > 24 105 Mn 0.27981102835679 0.92090294261275 0.35687867375638 54.938 > 25 106 Mn 0.27981102835679 0.92090294261275 0.85687867375638 54.938 > 25 107 Mn 0.27981102835679 0.07909705738724 0.10687867375638 54.938 > 26 108 Mn 0.27981102835679 0.07909705738724 0.60687867375638 54.938 > 26 109 Mn 0.72018897164321 0.07909705738724 0.14312132624362 54.938 > 27 110 Mn 0.72018897164321 0.07909705738724 0.64312132624362 54.938 > 27 111 Mn 0.29805452642563 0.23183303661296 0.36474690873978 54.938 > 28 112 Mn 0.29805452642563 0.23183303661296 0.86474690873978 54.938 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 190.7197756 0.0000000 -113.9349059 0.0000000 373.0248128 0.0000000 -113.9310540 0.0000000 162.2275612 -------------------------- Born effective charges -------------------------- 1 Na 0.9817443 -0.2181622 -0.2512282 -0.8512880 1.1384005 -0.0597797 0.2349833 0.1872133 1.3145408 2 Na 0.9817443 0.2181622 -0.2512282 0.8512880 1.1384005 0.0597797 0.2349833 -0.1872133 1.3145408 3 Na 0.9817443 -0.2181622 -0.2512282 -0.8512880 1.1384005 -0.0597797 0.2349833 0.1872133 1.3145408 4 Na 0.9817443 0.2181622 -0.2512282 0.8512880 1.1384005 0.0597797 0.2349833 -0.1872133 1.3145408 5 Na 2.1425804 -0.0000000 0.0055600 0.0000000 2.0750986 -0.0000000 -0.1487207 0.0000000 1.3746578 6 Na 2.1425804 -0.0000000 0.0055600 0.0000000 2.0750986 -0.0000000 -0.1487207 0.0000000 1.3746578 7 Na 1.8843102 -0.0000000 0.7598347 0.0000000 1.0197023 -0.0000000 0.2817792 0.0000000 0.8728856 8 Na 1.8843102 -0.0000000 0.7598347 0.0000000 1.0197023 -0.0000000 0.2817792 0.0000000 0.8728856 9 S 0.1284430 0.9187347 -0.2856682 4.5450752 1.7578722 4.2365242 -1.1513416 -0.5832760 -0.2536992 10 S 0.1284430 -0.9187347 -0.2856682 -4.5450752 1.7578722 -4.2365242 -1.1513416 0.5832760 -0.2536992 11 S 0.1284430 0.9187347 -0.2856682 4.5450752 1.7578722 4.2365242 -1.1513416 -0.5832760 -0.2536992 12 S 0.7901645 -0.0024854 -0.2795099 -4.3083358 1.4837880 -0.0913798 -0.3306429 0.5600952 2.0915723 13 S 0.7901645 0.0024854 -0.2795099 4.3083358 1.4837880 0.0913798 -0.3306429 -0.5600952 2.0915723 14 S 0.7901645 -0.0024854 -0.2795099 -4.3083358 1.4837880 -0.0913798 -0.3306429 0.5600952 2.0915723 15 S 0.1284430 -0.9187347 -0.2856682 -4.5450752 1.7578722 -4.2365242 -1.1513416 0.5832760 -0.2536992 16 S 0.7901645 0.0024854 -0.2795099 4.3083358 1.4837880 0.0913798 -0.3306429 -0.5600952 2.0915723 17 S 5.7679210 3.1918696 1.6804634 3.7959980 7.7520279 -2.2280898 -5.6704738 -1.7234518 0.9622618 18 S 5.7679210 -3.1918696 1.6804634 -3.7959980 7.7520279 2.2280898 -5.6704738 1.7234518 0.9622618 19 S 5.7679210 3.1918696 1.6804634 3.7959980 7.7520279 -2.2280898 -5.6704738 -1.7234518 0.9622618 20 S 5.7679210 -3.1918696 1.6804634 -3.7959980 7.7520279 2.2280898 -5.6704738 1.7234518 0.9622618 21 Mn -3.7233540 0.6161963 1.7256036 0.1683633 -2.5335831 -2.9778395 2.9459470 0.8423848 -4.2943628 22 Mn -3.7233540 0.6161963 1.7256036 0.1683633 -2.5335831 -2.9778395 2.9459470 0.8423848 -4.2943628 23 Mn -3.7233540 -0.6161963 1.7256036 -0.1683633 -2.5335831 2.9778395 2.9459470 -0.8423848 -4.2943628 24 Mn -5.9583642 -2.1880813 -2.9723580 -3.2319054 -11.1459059 -3.7731446 3.9049987 0.8555845 -0.9440845 25 Mn -5.9583642 2.1880813 -2.9723580 3.2319054 -11.1459059 3.7731446 3.9049987 -0.8555845 -0.9440845 26 Mn -5.9583642 -2.1880813 -2.9723580 -3.2319054 -11.1459059 -3.7731446 3.9049987 0.8555845 -0.9440845 27 Mn -5.9583642 2.1880813 -2.9723580 3.2319054 -11.1459059 3.7731446 3.9049987 -0.8555845 -0.9440845 28 Mn -3.7233540 -0.6161963 1.7256036 -0.1683633 -2.5335831 2.9778395 2.9459470 -0.8423848 -4.2943628 ---------------------------------------------------------------------------- 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: 16644/16644 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3658 Number of blocks in projector: 3658 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: 792 Use submatrix version of eigh solver. (1) Block: 500 / 792 (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: 792 / 792 (1) 280 eigenvectors found. (1) Complementary block size: 27 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 776 Use submatrix version of eigh solver. (1) Block: 500 / 776 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 776 / 776 (1) 265 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: 776 Use submatrix version of eigh solver. (1) Block: 500 / 776 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 776 / 776 (1) 265 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: 438 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 438 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 438 Use standard eigh solver. Tree of FC basis block matrices: - (3658, 3595), data: False |-- (438, 430), data: True |-- (438, 430), data: True |-- (438, 430), data: True |-- (776, 764), data: False |-- (776, 11), data: (776, 23) @ (23, 11) |-- (276, 265), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (776, 764), data: False |-- (776, 11), data: (776, 23) @ (23, 11) |-- (276, 265), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (792, 777), data: False |-- (792, 12), data: (792, 27) @ (27, 12) |-- (292, 280), 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: 0.989 Solver_block: 200 / 880 - Time: 0.950 Solver_block: 300 / 880 - Time: 0.952 Solver_block: 400 / 880 - Time: 0.950 Solver_block: 500 / 880 - Time: 0.948 Solver_block: 600 / 880 - Time: 0.974 Solver_block: 700 / 880 - Time: 0.958 Solver_block: 800 / 880 - Time: 0.966 Solver_block: 880 / 880 - Time: 0.800 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 8.659 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 16644/16644 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3658 Number of blocks in projector: 3658 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: 792 Use submatrix version of eigh solver. (1) Block: 500 / 792 (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: 792 / 792 (1) 280 eigenvectors found. (1) Complementary block size: 27 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 776 Use submatrix version of eigh solver. (1) Block: 500 / 776 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 776 / 776 (1) 265 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: 776 Use submatrix version of eigh solver. (1) Block: 500 / 776 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 776 / 776 (1) 265 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: 438 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 438 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 438 Use standard eigh solver. Tree of FC basis block matrices: - (3658, 3595), data: False |-- (438, 430), data: True |-- (438, 430), data: True |-- (438, 430), data: True |-- (776, 764), data: False |-- (776, 11), data: (776, 23) @ (23, 11) |-- (276, 265), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (776, 764), data: False |-- (776, 11), data: (776, 23) @ (23, 11) |-- (276, 265), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (792, 777), data: False |-- (792, 12), data: (792, 27) @ (27, 12) |-- (292, 280), 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 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 06:46:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:46:20]------------------------- 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 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.036634226795709 -6.248828175000002 0.000000000000000 b 7.036634226795709 6.248828175000002 0.000000000000000 c -2.412669873309033 0.000000000000000 5.355167394891296 Atomic positions (fractional): 1 Na 0.18428848241044 0.01494345725184 0.05250761898780 22.990 2 Na 0.98505654274816 0.81571151758956 0.44749238101220 22.990 3 Na 0.81571151758956 0.98505654274816 0.94749238101220 22.990 4 Na 0.01494345725184 0.18428848241044 0.55250761898780 22.990 5 Na 0.29084606402516 0.70915393597484 0.25000000000000 22.990 6 Na 0.70915393597484 0.29084606402516 0.75000000000000 22.990 7 Na 0.56281752157754 0.43718247842246 0.25000000000000 22.990 8 Na 0.43718247842247 0.56281752157753 0.75000000000000 22.990 9 S 0.01380135457456 0.75596280829923 0.93692869730386 32.065 10 S 0.75596280829923 0.01380135457456 0.43692869730387 32.065 11 S 0.98619864542544 0.24403719170077 0.06307130269614 32.065 12 S 0.85105482547113 0.43036599157277 0.54927625430715 32.065 13 S 0.56963400842723 0.14894517452887 0.95072374569285 32.065 14 S 0.14894517452887 0.56963400842723 0.45072374569285 32.065 15 S 0.24403719170077 0.98619864542544 0.56307130269614 32.065 16 S 0.43036599157277 0.85105482547113 0.04927625430715 32.065 17 S 0.75630031614668 0.60876590393540 0.10251862826897 32.065 18 S 0.39123409606460 0.24369968385332 0.39748137173103 32.065 19 S 0.24369968385332 0.39123409606460 0.89748137173104 32.065 20 S 0.60876590393540 0.75630031614668 0.60251862826896 32.065 21 Mn 0.47011243696141 0.93377851018734 0.77050618252045 54.938 22 Mn 0.52988756303859 0.06622148981266 0.22949381747955 54.938 23 Mn 0.93377851018734 0.47011243696141 0.27050618252045 54.938 24 Mn 0.79928602903045 0.64109191425596 0.78624265248724 54.938 25 Mn 0.35890808574404 0.20071397096955 0.71375734751276 54.938 26 Mn 0.20071397096955 0.35890808574404 0.21375734751277 54.938 27 Mn 0.64109191425596 0.79928602903045 0.28624265248724 54.938 28 Mn 0.06622148981266 0.52988756303859 0.72949381747955 54.938 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.073268453591417 0.000000000000000 0.000000000000000 b 0.000000000000000 12.497656350000003 0.000000000000000 c -4.825339746618066 0.000000000000000 10.710334789782593 Atomic positions (fractional): 1 Na 0.59961596983114 0.41532748742070 0.02625380949390 22.990 > 1 2 Na 0.59961596983114 0.41532748742070 0.52625380949390 22.990 > 1 3 Na 0.40038403016886 0.41532748742070 0.22374619050610 22.990 > 3 4 Na 0.40038403016886 0.41532748742070 0.72374619050610 22.990 > 3 5 Na 0.40038403016886 0.58467251257930 0.47374619050610 22.990 > 5 6 Na 0.40038403016886 0.58467251257930 0.97374619050610 22.990 > 5 7 Na 0.59961596983114 0.58467251257930 0.27625380949390 22.990 > 7 8 Na 0.59961596983114 0.58467251257930 0.77625380949390 22.990 > 7 9 Na 0.00000000000000 0.70915393597484 0.12500000000000 22.990 > 9 10 Na 0.00000000000000 0.70915393597484 0.62500000000000 22.990 > 9 11 Na 0.00000000000000 0.29084606402516 0.37500000000000 22.990 > 11 12 Na 0.00000000000000 0.29084606402516 0.87500000000000 22.990 > 11 13 Na 0.00000000000000 0.43718247842246 0.12500000000000 22.990 > 13 14 Na 0.00000000000000 0.43718247842246 0.62500000000000 22.990 > 13 15 Na 0.00000000000000 0.56281752157753 0.37500000000000 22.990 > 15 16 Na 0.00000000000000 0.56281752157753 0.87500000000000 22.990 > 15 17 Na 0.09961596983114 0.91532748742070 0.02625380949390 22.990 > 1 18 Na 0.09961596983114 0.91532748742070 0.52625380949390 22.990 > 1 19 Na 0.90038403016886 0.91532748742070 0.22374619050610 22.990 > 3 20 Na 0.90038403016886 0.91532748742070 0.72374619050610 22.990 > 3 21 Na 0.90038403016886 0.08467251257930 0.47374619050610 22.990 > 5 22 Na 0.90038403016886 0.08467251257930 0.97374619050610 22.990 > 5 23 Na 0.09961596983114 0.08467251257930 0.27625380949390 22.990 > 7 24 Na 0.09961596983114 0.08467251257930 0.77625380949390 22.990 > 7 25 Na 0.50000000000000 0.20915393597484 0.12500000000000 22.990 > 9 26 Na 0.50000000000000 0.20915393597484 0.62500000000000 22.990 > 9 27 Na 0.50000000000000 0.79084606402516 0.37500000000000 22.990 > 11 28 Na 0.50000000000000 0.79084606402516 0.87500000000000 22.990 > 11 29 Na 0.50000000000000 0.93718247842247 0.12500000000000 22.990 > 13 30 Na 0.50000000000000 0.93718247842247 0.62500000000000 22.990 > 13 31 Na 0.50000000000000 0.06281752157753 0.37500000000000 22.990 > 15 32 Na 0.50000000000000 0.06281752157753 0.87500000000000 22.990 > 15 33 S 0.88488208143689 0.87108072686234 0.46846434865193 32.065 > 33 34 S 0.88488208143689 0.87108072686234 0.96846434865193 32.065 > 33 35 S 0.88488208143689 0.12891927313766 0.21846434865193 32.065 > 35 36 S 0.88488208143689 0.12891927313766 0.71846434865193 32.065 > 35 37 S 0.11511791856311 0.12891927313766 0.03153565134807 32.065 > 37 38 S 0.11511791856311 0.12891927313766 0.53153565134807 32.065 > 37 39 S 0.14071040852195 0.28965558305082 0.27463812715357 32.065 > 39 40 S 0.14071040852195 0.28965558305082 0.77463812715357 32.065 > 39 41 S 0.85928959147805 0.28965558305082 0.47536187284643 32.065 > 41 42 S 0.85928959147805 0.28965558305082 0.97536187284643 32.065 > 41 43 S 0.85928959147805 0.71034441694918 0.22536187284643 32.065 > 43 44 S 0.85928959147805 0.71034441694918 0.72536187284643 32.065 > 43 45 S 0.11511791856311 0.87108072686234 0.28153565134807 32.065 > 45 46 S 0.11511791856311 0.87108072686234 0.78153565134807 32.065 > 45 47 S 0.14071040852195 0.71034441694918 0.02463812715357 32.065 > 47 48 S 0.14071040852195 0.71034441694918 0.52463812715357 32.065 > 47 49 S 0.18253311004104 0.42623279389436 0.05125931413448 32.065 > 49 50 S 0.18253311004104 0.42623279389436 0.55125931413448 32.065 > 49 51 S 0.81746688995896 0.42623279389436 0.19874068586552 32.065 > 51 52 S 0.81746688995896 0.42623279389436 0.69874068586552 32.065 > 51 53 S 0.81746688995896 0.57376720610564 0.44874068586552 32.065 > 53 54 S 0.81746688995896 0.57376720610564 0.94874068586552 32.065 > 53 55 S 0.18253311004104 0.57376720610564 0.30125931413448 32.065 > 55 56 S 0.18253311004104 0.57376720610564 0.80125931413448 32.065 > 55 57 S 0.38488208143690 0.37108072686234 0.46846434865193 32.065 > 33 58 S 0.38488208143690 0.37108072686234 0.96846434865193 32.065 > 33 59 S 0.38488208143690 0.62891927313766 0.21846434865193 32.065 > 35 60 S 0.38488208143690 0.62891927313766 0.71846434865193 32.065 > 35 61 S 0.61511791856311 0.62891927313766 0.03153565134807 32.065 > 37 62 S 0.61511791856311 0.62891927313766 0.53153565134807 32.065 > 37 63 S 0.64071040852195 0.78965558305082 0.27463812715357 32.065 > 39 64 S 0.64071040852195 0.78965558305082 0.77463812715357 32.065 > 39 65 S 0.35928959147805 0.78965558305082 0.47536187284643 32.065 > 41 66 S 0.35928959147805 0.78965558305082 0.97536187284643 32.065 > 41 67 S 0.35928959147805 0.21034441694918 0.22536187284643 32.065 > 43 68 S 0.35928959147805 0.21034441694918 0.72536187284643 32.065 > 43 69 S 0.61511791856311 0.37108072686234 0.28153565134807 32.065 > 45 70 S 0.61511791856311 0.37108072686234 0.78153565134807 32.065 > 45 71 S 0.64071040852195 0.21034441694918 0.02463812715357 32.065 > 47 72 S 0.64071040852195 0.21034441694918 0.52463812715357 32.065 > 47 73 S 0.68253311004104 0.92623279389436 0.05125931413448 32.065 > 49 74 S 0.68253311004104 0.92623279389436 0.55125931413448 32.065 > 49 75 S 0.31746688995896 0.92623279389436 0.19874068586552 32.065 > 51 76 S 0.31746688995896 0.92623279389436 0.69874068586552 32.065 > 51 77 S 0.31746688995896 0.07376720610564 0.44874068586552 32.065 > 53 78 S 0.31746688995896 0.07376720610564 0.94874068586552 32.065 > 53 79 S 0.68253311004104 0.07376720610564 0.30125931413448 32.065 > 55 80 S 0.68253311004104 0.07376720610564 0.80125931413448 32.065 > 55 81 Mn 0.20194547357438 0.73183303661296 0.38525309126022 54.938 > 81 82 Mn 0.20194547357438 0.73183303661296 0.88525309126022 54.938 > 81 83 Mn 0.79805452642563 0.26816696338704 0.11474690873978 54.938 > 83 84 Mn 0.79805452642563 0.26816696338704 0.61474690873978 54.938 > 83 85 Mn 0.20194547357438 0.26816696338704 0.13525309126022 54.938 > 85 86 Mn 0.20194547357438 0.26816696338704 0.63525309126022 54.938 > 85 87 Mn 0.22018897164321 0.42090294261276 0.39312132624362 54.938 > 87 88 Mn 0.22018897164321 0.42090294261276 0.89312132624362 54.938 > 87 89 Mn 0.77981102835679 0.42090294261276 0.35687867375638 54.938 > 89 90 Mn 0.77981102835679 0.42090294261276 0.85687867375638 54.938 > 89 91 Mn 0.77981102835679 0.57909705738725 0.10687867375638 54.938 > 91 92 Mn 0.77981102835679 0.57909705738725 0.60687867375638 54.938 > 91 93 Mn 0.22018897164321 0.57909705738725 0.14312132624362 54.938 > 93 94 Mn 0.22018897164321 0.57909705738725 0.64312132624362 54.938 > 93 95 Mn 0.79805452642563 0.73183303661296 0.36474690873978 54.938 > 95 96 Mn 0.79805452642563 0.73183303661296 0.86474690873978 54.938 > 95 97 Mn 0.70194547357437 0.23183303661296 0.38525309126022 54.938 > 81 98 Mn 0.70194547357437 0.23183303661296 0.88525309126022 54.938 > 81 99 Mn 0.29805452642563 0.76816696338704 0.11474690873978 54.938 > 83 100 Mn 0.29805452642563 0.76816696338704 0.61474690873978 54.938 > 83 101 Mn 0.70194547357437 0.76816696338704 0.13525309126022 54.938 > 85 102 Mn 0.70194547357437 0.76816696338704 0.63525309126022 54.938 > 85 103 Mn 0.72018897164321 0.92090294261275 0.39312132624362 54.938 > 87 104 Mn 0.72018897164321 0.92090294261275 0.89312132624362 54.938 > 87 105 Mn 0.27981102835679 0.92090294261275 0.35687867375638 54.938 > 89 106 Mn 0.27981102835679 0.92090294261275 0.85687867375638 54.938 > 89 107 Mn 0.27981102835679 0.07909705738724 0.10687867375638 54.938 > 91 108 Mn 0.27981102835679 0.07909705738724 0.60687867375638 54.938 > 91 109 Mn 0.72018897164321 0.07909705738724 0.14312132624362 54.938 > 93 110 Mn 0.72018897164321 0.07909705738724 0.64312132624362 54.938 > 93 111 Mn 0.29805452642563 0.23183303661296 0.36474690873978 54.938 > 95 112 Mn 0.29805452642563 0.23183303661296 0.86474690873978 54.938 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 190.7197756 0.0000000 -113.9349059 0.0000000 373.0248128 0.0000000 -113.9310540 0.0000000 162.2275612 -------------------------- Born effective charges -------------------------- 1 Na 0.9817443 -0.2181622 -0.2512282 -0.8512880 1.1384005 -0.0597797 0.2349833 0.1872133 1.3145408 2 Na 0.9817443 0.2181622 -0.2512282 0.8512880 1.1384005 0.0597797 0.2349833 -0.1872133 1.3145408 3 Na 0.9817443 -0.2181622 -0.2512282 -0.8512880 1.1384005 -0.0597797 0.2349833 0.1872133 1.3145408 4 Na 0.9817443 0.2181622 -0.2512282 0.8512880 1.1384005 0.0597797 0.2349833 -0.1872133 1.3145408 5 Na 2.1425804 -0.0000000 0.0055600 0.0000000 2.0750986 -0.0000000 -0.1487207 0.0000000 1.3746578 6 Na 2.1425804 -0.0000000 0.0055600 0.0000000 2.0750986 -0.0000000 -0.1487207 0.0000000 1.3746578 7 Na 1.8843102 -0.0000000 0.7598347 0.0000000 1.0197023 -0.0000000 0.2817792 0.0000000 0.8728856 8 Na 1.8843102 -0.0000000 0.7598347 0.0000000 1.0197023 -0.0000000 0.2817792 0.0000000 0.8728856 9 S 0.1284430 0.9187347 -0.2856682 4.5450752 1.7578722 4.2365242 -1.1513416 -0.5832760 -0.2536992 10 S 0.1284430 -0.9187347 -0.2856682 -4.5450752 1.7578722 -4.2365242 -1.1513416 0.5832760 -0.2536992 11 S 0.1284430 0.9187347 -0.2856682 4.5450752 1.7578722 4.2365242 -1.1513416 -0.5832760 -0.2536992 12 S 0.7901645 -0.0024854 -0.2795099 -4.3083358 1.4837880 -0.0913798 -0.3306429 0.5600952 2.0915723 13 S 0.7901645 0.0024854 -0.2795099 4.3083358 1.4837880 0.0913798 -0.3306429 -0.5600952 2.0915723 14 S 0.7901645 -0.0024854 -0.2795099 -4.3083358 1.4837880 -0.0913798 -0.3306429 0.5600952 2.0915723 15 S 0.1284430 -0.9187347 -0.2856682 -4.5450752 1.7578722 -4.2365242 -1.1513416 0.5832760 -0.2536992 16 S 0.7901645 0.0024854 -0.2795099 4.3083358 1.4837880 0.0913798 -0.3306429 -0.5600952 2.0915723 17 S 5.7679210 3.1918696 1.6804634 3.7959980 7.7520279 -2.2280898 -5.6704738 -1.7234518 0.9622618 18 S 5.7679210 -3.1918696 1.6804634 -3.7959980 7.7520279 2.2280898 -5.6704738 1.7234518 0.9622618 19 S 5.7679210 3.1918696 1.6804634 3.7959980 7.7520279 -2.2280898 -5.6704738 -1.7234518 0.9622618 20 S 5.7679210 -3.1918696 1.6804634 -3.7959980 7.7520279 2.2280898 -5.6704738 1.7234518 0.9622618 21 Mn -3.7233540 0.6161963 1.7256036 0.1683633 -2.5335831 -2.9778395 2.9459470 0.8423848 -4.2943628 22 Mn -3.7233540 0.6161963 1.7256036 0.1683633 -2.5335831 -2.9778395 2.9459470 0.8423848 -4.2943628 23 Mn -3.7233540 -0.6161963 1.7256036 -0.1683633 -2.5335831 2.9778395 2.9459470 -0.8423848 -4.2943628 24 Mn -5.9583642 -2.1880813 -2.9723580 -3.2319054 -11.1459059 -3.7731446 3.9049987 0.8555845 -0.9440845 25 Mn -5.9583642 2.1880813 -2.9723580 3.2319054 -11.1459059 3.7731446 3.9049987 -0.8555845 -0.9440845 26 Mn -5.9583642 -2.1880813 -2.9723580 -3.2319054 -11.1459059 -3.7731446 3.9049987 0.8555845 -0.9440845 27 Mn -5.9583642 2.1880813 -2.9723580 3.2319054 -11.1459059 3.7731446 3.9049987 -0.8555845 -0.9440845 28 Mn -3.7233540 -0.6161963 1.7256036 -0.1683633 -2.5335831 2.9778395 2.9459470 -0.8423848 -4.2943628 ---------------------------------------------------------------------------- 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] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Computing fc3[ 9, 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] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Computing fc3[ 13, 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] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Computing fc3[ 39, 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] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Computing fc3[ 87, 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] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000008 (yyy) 0.00000008 (yyy) 0.00000008 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (zy) 0.00000001 (zy) 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 06:46:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:46:55]------------------------- 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 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.036634226795709 -6.248828175000002 0.000000000000000 b 7.036634226795709 6.248828175000002 0.000000000000000 c -2.412669873309033 0.000000000000000 5.355167394891296 Atomic positions (fractional): 1 Na 0.18428848241044 0.01494345725184 0.05250761898780 22.990 2 Na 0.98505654274816 0.81571151758956 0.44749238101220 22.990 3 Na 0.81571151758956 0.98505654274816 0.94749238101220 22.990 4 Na 0.01494345725184 0.18428848241044 0.55250761898780 22.990 5 Na 0.29084606402516 0.70915393597484 0.25000000000000 22.990 6 Na 0.70915393597484 0.29084606402516 0.75000000000000 22.990 7 Na 0.56281752157754 0.43718247842246 0.25000000000000 22.990 8 Na 0.43718247842247 0.56281752157753 0.75000000000000 22.990 9 S 0.01380135457456 0.75596280829923 0.93692869730386 32.065 10 S 0.75596280829923 0.01380135457456 0.43692869730387 32.065 11 S 0.98619864542544 0.24403719170077 0.06307130269614 32.065 12 S 0.85105482547113 0.43036599157277 0.54927625430715 32.065 13 S 0.56963400842723 0.14894517452887 0.95072374569285 32.065 14 S 0.14894517452887 0.56963400842723 0.45072374569285 32.065 15 S 0.24403719170077 0.98619864542544 0.56307130269614 32.065 16 S 0.43036599157277 0.85105482547113 0.04927625430715 32.065 17 S 0.75630031614668 0.60876590393540 0.10251862826897 32.065 18 S 0.39123409606460 0.24369968385332 0.39748137173103 32.065 19 S 0.24369968385332 0.39123409606460 0.89748137173104 32.065 20 S 0.60876590393540 0.75630031614668 0.60251862826896 32.065 21 Mn 0.47011243696141 0.93377851018734 0.77050618252045 54.938 22 Mn 0.52988756303859 0.06622148981266 0.22949381747955 54.938 23 Mn 0.93377851018734 0.47011243696141 0.27050618252045 54.938 24 Mn 0.79928602903045 0.64109191425596 0.78624265248724 54.938 25 Mn 0.35890808574404 0.20071397096955 0.71375734751276 54.938 26 Mn 0.20071397096955 0.35890808574404 0.21375734751277 54.938 27 Mn 0.64109191425596 0.79928602903045 0.28624265248724 54.938 28 Mn 0.06622148981266 0.52988756303859 0.72949381747955 54.938 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.073268453591417 0.000000000000000 0.000000000000000 b 0.000000000000000 12.497656350000003 0.000000000000000 c -4.825339746618066 0.000000000000000 10.710334789782593 Atomic positions (fractional): 1 Na 0.59961596983114 0.41532748742070 0.02625380949390 22.990 > 1 2 Na 0.59961596983114 0.41532748742070 0.52625380949390 22.990 > 1 3 Na 0.40038403016886 0.41532748742070 0.22374619050610 22.990 > 3 4 Na 0.40038403016886 0.41532748742070 0.72374619050610 22.990 > 3 5 Na 0.40038403016886 0.58467251257930 0.47374619050610 22.990 > 5 6 Na 0.40038403016886 0.58467251257930 0.97374619050610 22.990 > 5 7 Na 0.59961596983114 0.58467251257930 0.27625380949390 22.990 > 7 8 Na 0.59961596983114 0.58467251257930 0.77625380949390 22.990 > 7 9 Na 0.00000000000000 0.70915393597484 0.12500000000000 22.990 > 9 10 Na 0.00000000000000 0.70915393597484 0.62500000000000 22.990 > 9 11 Na 0.00000000000000 0.29084606402516 0.37500000000000 22.990 > 11 12 Na 0.00000000000000 0.29084606402516 0.87500000000000 22.990 > 11 13 Na 0.00000000000000 0.43718247842246 0.12500000000000 22.990 > 13 14 Na 0.00000000000000 0.43718247842246 0.62500000000000 22.990 > 13 15 Na 0.00000000000000 0.56281752157753 0.37500000000000 22.990 > 15 16 Na 0.00000000000000 0.56281752157753 0.87500000000000 22.990 > 15 17 Na 0.09961596983114 0.91532748742070 0.02625380949390 22.990 > 1 18 Na 0.09961596983114 0.91532748742070 0.52625380949390 22.990 > 1 19 Na 0.90038403016886 0.91532748742070 0.22374619050610 22.990 > 3 20 Na 0.90038403016886 0.91532748742070 0.72374619050610 22.990 > 3 21 Na 0.90038403016886 0.08467251257930 0.47374619050610 22.990 > 5 22 Na 0.90038403016886 0.08467251257930 0.97374619050610 22.990 > 5 23 Na 0.09961596983114 0.08467251257930 0.27625380949390 22.990 > 7 24 Na 0.09961596983114 0.08467251257930 0.77625380949390 22.990 > 7 25 Na 0.50000000000000 0.20915393597484 0.12500000000000 22.990 > 9 26 Na 0.50000000000000 0.20915393597484 0.62500000000000 22.990 > 9 27 Na 0.50000000000000 0.79084606402516 0.37500000000000 22.990 > 11 28 Na 0.50000000000000 0.79084606402516 0.87500000000000 22.990 > 11 29 Na 0.50000000000000 0.93718247842247 0.12500000000000 22.990 > 13 30 Na 0.50000000000000 0.93718247842247 0.62500000000000 22.990 > 13 31 Na 0.50000000000000 0.06281752157753 0.37500000000000 22.990 > 15 32 Na 0.50000000000000 0.06281752157753 0.87500000000000 22.990 > 15 33 S 0.88488208143689 0.87108072686234 0.46846434865193 32.065 > 33 34 S 0.88488208143689 0.87108072686234 0.96846434865193 32.065 > 33 35 S 0.88488208143689 0.12891927313766 0.21846434865193 32.065 > 35 36 S 0.88488208143689 0.12891927313766 0.71846434865193 32.065 > 35 37 S 0.11511791856311 0.12891927313766 0.03153565134807 32.065 > 37 38 S 0.11511791856311 0.12891927313766 0.53153565134807 32.065 > 37 39 S 0.14071040852195 0.28965558305082 0.27463812715357 32.065 > 39 40 S 0.14071040852195 0.28965558305082 0.77463812715357 32.065 > 39 41 S 0.85928959147805 0.28965558305082 0.47536187284643 32.065 > 41 42 S 0.85928959147805 0.28965558305082 0.97536187284643 32.065 > 41 43 S 0.85928959147805 0.71034441694918 0.22536187284643 32.065 > 43 44 S 0.85928959147805 0.71034441694918 0.72536187284643 32.065 > 43 45 S 0.11511791856311 0.87108072686234 0.28153565134807 32.065 > 45 46 S 0.11511791856311 0.87108072686234 0.78153565134807 32.065 > 45 47 S 0.14071040852195 0.71034441694918 0.02463812715357 32.065 > 47 48 S 0.14071040852195 0.71034441694918 0.52463812715357 32.065 > 47 49 S 0.18253311004104 0.42623279389436 0.05125931413448 32.065 > 49 50 S 0.18253311004104 0.42623279389436 0.55125931413448 32.065 > 49 51 S 0.81746688995896 0.42623279389436 0.19874068586552 32.065 > 51 52 S 0.81746688995896 0.42623279389436 0.69874068586552 32.065 > 51 53 S 0.81746688995896 0.57376720610564 0.44874068586552 32.065 > 53 54 S 0.81746688995896 0.57376720610564 0.94874068586552 32.065 > 53 55 S 0.18253311004104 0.57376720610564 0.30125931413448 32.065 > 55 56 S 0.18253311004104 0.57376720610564 0.80125931413448 32.065 > 55 57 S 0.38488208143690 0.37108072686234 0.46846434865193 32.065 > 33 58 S 0.38488208143690 0.37108072686234 0.96846434865193 32.065 > 33 59 S 0.38488208143690 0.62891927313766 0.21846434865193 32.065 > 35 60 S 0.38488208143690 0.62891927313766 0.71846434865193 32.065 > 35 61 S 0.61511791856311 0.62891927313766 0.03153565134807 32.065 > 37 62 S 0.61511791856311 0.62891927313766 0.53153565134807 32.065 > 37 63 S 0.64071040852195 0.78965558305082 0.27463812715357 32.065 > 39 64 S 0.64071040852195 0.78965558305082 0.77463812715357 32.065 > 39 65 S 0.35928959147805 0.78965558305082 0.47536187284643 32.065 > 41 66 S 0.35928959147805 0.78965558305082 0.97536187284643 32.065 > 41 67 S 0.35928959147805 0.21034441694918 0.22536187284643 32.065 > 43 68 S 0.35928959147805 0.21034441694918 0.72536187284643 32.065 > 43 69 S 0.61511791856311 0.37108072686234 0.28153565134807 32.065 > 45 70 S 0.61511791856311 0.37108072686234 0.78153565134807 32.065 > 45 71 S 0.64071040852195 0.21034441694918 0.02463812715357 32.065 > 47 72 S 0.64071040852195 0.21034441694918 0.52463812715357 32.065 > 47 73 S 0.68253311004104 0.92623279389436 0.05125931413448 32.065 > 49 74 S 0.68253311004104 0.92623279389436 0.55125931413448 32.065 > 49 75 S 0.31746688995896 0.92623279389436 0.19874068586552 32.065 > 51 76 S 0.31746688995896 0.92623279389436 0.69874068586552 32.065 > 51 77 S 0.31746688995896 0.07376720610564 0.44874068586552 32.065 > 53 78 S 0.31746688995896 0.07376720610564 0.94874068586552 32.065 > 53 79 S 0.68253311004104 0.07376720610564 0.30125931413448 32.065 > 55 80 S 0.68253311004104 0.07376720610564 0.80125931413448 32.065 > 55 81 Mn 0.20194547357438 0.73183303661296 0.38525309126022 54.938 > 81 82 Mn 0.20194547357438 0.73183303661296 0.88525309126022 54.938 > 81 83 Mn 0.79805452642563 0.26816696338704 0.11474690873978 54.938 > 83 84 Mn 0.79805452642563 0.26816696338704 0.61474690873978 54.938 > 83 85 Mn 0.20194547357438 0.26816696338704 0.13525309126022 54.938 > 85 86 Mn 0.20194547357438 0.26816696338704 0.63525309126022 54.938 > 85 87 Mn 0.22018897164321 0.42090294261276 0.39312132624362 54.938 > 87 88 Mn 0.22018897164321 0.42090294261276 0.89312132624362 54.938 > 87 89 Mn 0.77981102835679 0.42090294261276 0.35687867375638 54.938 > 89 90 Mn 0.77981102835679 0.42090294261276 0.85687867375638 54.938 > 89 91 Mn 0.77981102835679 0.57909705738725 0.10687867375638 54.938 > 91 92 Mn 0.77981102835679 0.57909705738725 0.60687867375638 54.938 > 91 93 Mn 0.22018897164321 0.57909705738725 0.14312132624362 54.938 > 93 94 Mn 0.22018897164321 0.57909705738725 0.64312132624362 54.938 > 93 95 Mn 0.79805452642563 0.73183303661296 0.36474690873978 54.938 > 95 96 Mn 0.79805452642563 0.73183303661296 0.86474690873978 54.938 > 95 97 Mn 0.70194547357437 0.23183303661296 0.38525309126022 54.938 > 81 98 Mn 0.70194547357437 0.23183303661296 0.88525309126022 54.938 > 81 99 Mn 0.29805452642563 0.76816696338704 0.11474690873978 54.938 > 83 100 Mn 0.29805452642563 0.76816696338704 0.61474690873978 54.938 > 83 101 Mn 0.70194547357437 0.76816696338704 0.13525309126022 54.938 > 85 102 Mn 0.70194547357437 0.76816696338704 0.63525309126022 54.938 > 85 103 Mn 0.72018897164321 0.92090294261275 0.39312132624362 54.938 > 87 104 Mn 0.72018897164321 0.92090294261275 0.89312132624362 54.938 > 87 105 Mn 0.27981102835679 0.92090294261275 0.35687867375638 54.938 > 89 106 Mn 0.27981102835679 0.92090294261275 0.85687867375638 54.938 > 89 107 Mn 0.27981102835679 0.07909705738724 0.10687867375638 54.938 > 91 108 Mn 0.27981102835679 0.07909705738724 0.60687867375638 54.938 > 91 109 Mn 0.72018897164321 0.07909705738724 0.14312132624362 54.938 > 93 110 Mn 0.72018897164321 0.07909705738724 0.64312132624362 54.938 > 93 111 Mn 0.29805452642563 0.23183303661296 0.36474690873978 54.938 > 95 112 Mn 0.29805452642563 0.23183303661296 0.86474690873978 54.938 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 190.7197756 0.0000000 -113.9349059 0.0000000 373.0248128 0.0000000 -113.9310540 0.0000000 162.2275612 -------------------------- Born effective charges -------------------------- 1 Na 0.9817443 -0.2181622 -0.2512282 -0.8512880 1.1384005 -0.0597797 0.2349833 0.1872133 1.3145408 2 Na 0.9817443 0.2181622 -0.2512282 0.8512880 1.1384005 0.0597797 0.2349833 -0.1872133 1.3145408 3 Na 0.9817443 -0.2181622 -0.2512282 -0.8512880 1.1384005 -0.0597797 0.2349833 0.1872133 1.3145408 4 Na 0.9817443 0.2181622 -0.2512282 0.8512880 1.1384005 0.0597797 0.2349833 -0.1872133 1.3145408 5 Na 2.1425804 -0.0000000 0.0055600 0.0000000 2.0750986 -0.0000000 -0.1487207 0.0000000 1.3746578 6 Na 2.1425804 -0.0000000 0.0055600 0.0000000 2.0750986 -0.0000000 -0.1487207 0.0000000 1.3746578 7 Na 1.8843102 -0.0000000 0.7598347 0.0000000 1.0197023 -0.0000000 0.2817792 0.0000000 0.8728856 8 Na 1.8843102 -0.0000000 0.7598347 0.0000000 1.0197023 -0.0000000 0.2817792 0.0000000 0.8728856 9 S 0.1284430 0.9187347 -0.2856682 4.5450752 1.7578722 4.2365242 -1.1513416 -0.5832760 -0.2536992 10 S 0.1284430 -0.9187347 -0.2856682 -4.5450752 1.7578722 -4.2365242 -1.1513416 0.5832760 -0.2536992 11 S 0.1284430 0.9187347 -0.2856682 4.5450752 1.7578722 4.2365242 -1.1513416 -0.5832760 -0.2536992 12 S 0.7901645 -0.0024854 -0.2795099 -4.3083358 1.4837880 -0.0913798 -0.3306429 0.5600952 2.0915723 13 S 0.7901645 0.0024854 -0.2795099 4.3083358 1.4837880 0.0913798 -0.3306429 -0.5600952 2.0915723 14 S 0.7901645 -0.0024854 -0.2795099 -4.3083358 1.4837880 -0.0913798 -0.3306429 0.5600952 2.0915723 15 S 0.1284430 -0.9187347 -0.2856682 -4.5450752 1.7578722 -4.2365242 -1.1513416 0.5832760 -0.2536992 16 S 0.7901645 0.0024854 -0.2795099 4.3083358 1.4837880 0.0913798 -0.3306429 -0.5600952 2.0915723 17 S 5.7679210 3.1918696 1.6804634 3.7959980 7.7520279 -2.2280898 -5.6704738 -1.7234518 0.9622618 18 S 5.7679210 -3.1918696 1.6804634 -3.7959980 7.7520279 2.2280898 -5.6704738 1.7234518 0.9622618 19 S 5.7679210 3.1918696 1.6804634 3.7959980 7.7520279 -2.2280898 -5.6704738 -1.7234518 0.9622618 20 S 5.7679210 -3.1918696 1.6804634 -3.7959980 7.7520279 2.2280898 -5.6704738 1.7234518 0.9622618 21 Mn -3.7233540 0.6161963 1.7256036 0.1683633 -2.5335831 -2.9778395 2.9459470 0.8423848 -4.2943628 22 Mn -3.7233540 0.6161963 1.7256036 0.1683633 -2.5335831 -2.9778395 2.9459470 0.8423848 -4.2943628 23 Mn -3.7233540 -0.6161963 1.7256036 -0.1683633 -2.5335831 2.9778395 2.9459470 -0.8423848 -4.2943628 24 Mn -5.9583642 -2.1880813 -2.9723580 -3.2319054 -11.1459059 -3.7731446 3.9049987 0.8555845 -0.9440845 25 Mn -5.9583642 2.1880813 -2.9723580 3.2319054 -11.1459059 3.7731446 3.9049987 -0.8555845 -0.9440845 26 Mn -5.9583642 -2.1880813 -2.9723580 -3.2319054 -11.1459059 -3.7731446 3.9049987 0.8555845 -0.9440845 27 Mn -5.9583642 2.1880813 -2.9723580 3.2319054 -11.1459059 3.7731446 3.9049987 -0.8555845 -0.9440845 28 Mn -3.7233540 -0.6161963 1.7256036 -0.1683633 -2.5335831 2.9778395 2.9459470 -0.8423848 -4.2943628 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000008 (yyy) 0.00000008 (yyy) 0.00000008 (yyy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 6 9 ] 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: 0.53, Number of G-points: 295, Lambda: 0.87 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/97) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 97 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.025 ( 0.000 0.000 0.000) 0.000 2.035 ( 0.000 0.000 0.000) 0.000 2.145 ( 0.000 0.000 0.000) 0.000 2.382 ( 0.000 0.000 0.000) 0.000 2.628 ( 0.000 0.000 0.000) 0.000 2.691 ( 0.000 0.000 0.000) 0.000 2.818 ( 0.000 0.000 0.000) 0.000 2.825 ( 0.000 0.000 0.000) 0.000 3.067 ( 0.000 0.000 0.000) 0.000 3.222 ( 0.000 0.000 0.000) 0.000 3.363 ( 0.000 0.000 0.000) 0.000 3.407 ( 0.000 0.000 0.000) 0.000 3.551 ( 0.000 0.000 0.000) 0.000 3.678 ( 0.000 0.000 0.000) 0.000 3.728 ( 0.000 0.000 0.000) 0.000 3.796 ( 0.000 0.000 0.000) 0.000 3.830 ( 0.000 0.000 0.000) 0.000 4.014 ( 0.000 0.000 0.000) 0.000 4.102 ( 0.000 0.000 0.000) 0.000 4.150 ( 0.000 0.000 0.000) 0.000 4.290 ( 0.000 0.000 0.000) 0.000 4.372 ( 0.000 0.000 0.000) 0.000 4.568 ( 0.000 0.000 0.000) 0.000 4.577 ( 0.000 0.000 0.000) 0.000 4.867 ( 0.000 0.000 0.000) 0.000 5.003 ( 0.000 0.000 0.000) 0.000 5.126 ( 0.000 0.000 0.000) 0.000 5.170 ( 0.000 0.000 0.000) 0.000 5.179 ( 0.000 0.000 0.000) 0.000 5.265 ( 0.000 0.000 0.000) 0.000 5.399 ( 0.000 0.000 0.000) 0.000 5.465 ( 0.000 0.000 0.000) 0.000 5.533 ( 0.000 0.000 0.000) 0.000 5.555 ( 0.000 0.000 0.000) 0.000 5.731 ( 0.000 0.000 0.000) 0.000 5.783 ( 0.000 0.000 0.000) 0.000 6.010 ( 0.000 0.000 0.000) 0.000 6.061 ( 0.000 0.000 0.000) 0.000 6.127 ( 0.000 0.000 0.000) 0.000 6.225 ( 0.000 0.000 0.000) 0.000 6.505 ( 0.000 0.000 0.000) 0.000 6.567 ( 0.000 0.000 0.000) 0.000 6.680 ( 0.000 0.000 0.000) 0.000 6.818 ( 0.000 0.000 0.000) 0.000 6.818 ( 0.000 0.000 0.000) 0.000 7.175 ( 0.000 0.000 0.000) 0.000 7.187 ( 0.000 0.000 0.000) 0.000 7.488 ( 0.000 0.000 0.000) 0.000 7.680 ( 0.000 0.000 0.000) 0.000 7.682 ( 0.000 0.000 0.000) 0.000 7.836 ( 0.000 0.000 0.000) 0.000 8.093 ( 0.000 0.000 0.000) 0.000 8.590 ( 0.000 0.000 0.000) 0.000 9.936 ( 0.000 0.000 0.000) 0.000 10.222 ( 0.000 0.000 0.000) 0.000 10.383 ( 0.000 0.000 0.000) 0.000 10.384 ( 0.000 0.000 0.000) 0.000 10.403 ( 0.000 0.000 0.000) 0.000 10.423 ( 0.000 0.000 0.000) 0.000 10.672 ( 0.000 0.000 0.000) 0.000 10.688 ( 0.000 0.000 0.000) 0.000 10.983 ( 0.000 0.000 0.000) 0.000 11.105 ( 0.000 0.000 0.000) 0.000 11.113 ( 0.000 0.000 0.000) 0.000 11.741 ( 0.000 0.000 0.000) 0.000 11.865 ( 0.000 0.000 0.000) 0.000 11.982 ( 0.000 0.000 0.000) 0.000 12.126 ( 0.000 0.000 0.000) 0.000 12.270 ( 0.000 0.000 0.000) 0.000 12.366 ( 0.000 0.000 0.000) 0.000 12.557 ( 0.000 0.000 0.000) 0.000 12.561 ( 0.000 0.000 0.000) 0.000 12.674 ( 0.000 0.000 0.000) 0.000 12.784 ( 0.000 0.000 0.000) 0.000 12.800 ( 0.000 0.000 0.000) 0.000 12.926 ( 0.000 0.000 0.000) 0.000 13.022 ( 0.000 0.000 0.000) 0.000 13.091 ( 0.000 0.000 0.000) 0.000 13.347 ( 0.000 0.000 0.000) 0.000 13.421 ( 0.000 0.000 0.000) 0.000 13.426 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/97) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.439 ( 18.446 -19.560 -9.505) 28.517 0.609 ( 32.920 -12.322 8.825) 36.241 1.021 ( 11.531 -61.538 8.043) 63.124 1.853 ( -6.291 10.580 1.676) 12.423 2.130 ( -0.007 -0.669 -1.250) 1.417 2.237 ( -0.798 -13.900 0.373) 13.928 2.397 ( 2.449 0.074 -2.272) 3.341 2.599 ( -5.573 9.110 -0.378) 10.686 2.668 ( -4.229 2.820 1.346) 5.259 2.712 ( 3.395 -0.386 -1.525) 3.742 2.829 ( 2.998 1.121 -1.598) 3.577 3.113 ( -8.275 -9.308 -1.466) 12.541 3.145 ( -4.949 13.333 4.752) 14.995 3.258 ( 3.141 9.993 -1.552) 10.590 3.415 ( 7.511 1.968 1.292) 7.872 3.586 ( -1.275 1.454 -0.242) 1.948 3.665 ( -3.257 -3.106 -2.340) 5.073 3.754 ( -0.785 -0.029 0.942) 1.227 3.839 ( -1.635 1.976 0.459) 2.606 3.921 ( -0.690 -9.020 0.847) 9.086 4.010 ( 4.400 5.471 2.652) 7.505 4.081 ( 1.802 0.277 -0.778) 1.982 4.188 ( 2.761 -2.620 2.388) 4.493 4.303 ( 0.197 -0.561 -2.134) 2.215 4.385 ( 0.872 -3.579 1.756) 4.081 4.568 ( 2.671 4.402 2.287) 5.634 4.619 ( 0.410 -5.200 -1.556) 5.444 4.866 ( -0.245 -1.454 -3.778) 4.055 4.955 ( -4.970 3.743 2.928) 6.877 5.101 ( -0.651 1.873 -2.340) 3.067 5.133 ( -2.314 2.632 -3.677) 5.080 5.184 ( 1.606 3.495 1.788) 4.241 5.321 ( 1.882 0.489 2.632) 3.273 5.354 ( -1.583 4.059 0.740) 4.419 5.420 ( -2.425 1.246 -2.773) 3.889 5.498 ( 1.059 3.121 1.003) 3.445 5.585 ( 3.374 -1.332 -2.332) 4.312 5.727 ( -3.132 -1.934 -0.050) 3.682 5.853 ( 3.788 -5.527 1.135) 6.796 5.988 ( -1.789 0.907 -1.196) 2.336 6.045 ( -0.552 1.973 -2.454) 3.197 6.126 ( 1.480 0.877 -1.445) 2.246 6.213 ( -2.325 2.635 3.097) 4.684 6.442 ( 2.277 9.173 0.224) 9.454 6.596 ( -0.811 -1.717 1.076) 2.182 6.624 ( -4.242 15.336 1.724) 16.005 6.650 ( 3.335 4.888 -1.365) 6.073 6.879 ( -0.315 -3.939 -0.509) 3.984 7.244 ( 1.384 -5.425 -1.445) 5.782 7.372 ( 1.299 -16.290 -0.240) 16.344 7.520 ( 0.082 -7.911 -0.022) 7.911 7.663 ( 0.723 5.164 -0.729) 5.266 7.785 ( 0.093 -9.766 0.942) 9.811 7.883 ( -0.449 -4.629 -0.849) 4.727 8.097 ( -1.365 -2.202 0.764) 2.701 8.548 ( 1.049 7.015 -0.092) 7.094 9.952 ( 0.641 -0.723 0.511) 1.093 10.176 ( 0.817 6.304 -0.056) 6.357 10.364 ( -0.916 0.594 -2.153) 2.414 10.389 ( -2.106 0.298 0.490) 2.183 10.430 ( 0.920 -1.674 -0.566) 1.992 10.437 ( 0.731 0.314 2.587) 2.707 10.674 ( -0.183 -0.497 -0.147) 0.550 10.693 ( 0.135 -0.327 0.298) 0.463 10.946 ( -0.476 3.375 0.076) 3.409 11.117 ( -0.650 -0.961 -0.627) 1.319 11.133 ( -0.325 -0.821 0.844) 1.221 11.700 ( -4.008 0.342 -2.046) 4.513 11.906 ( 3.375 -1.129 -1.017) 3.702 12.000 ( 0.378 -0.724 0.390) 0.905 12.110 ( -0.247 1.496 -0.306) 1.547 12.257 ( -0.259 1.636 -0.089) 1.658 12.367 ( -1.073 -1.343 -0.381) 1.761 12.513 ( -0.426 3.982 0.073) 4.006 12.628 ( -0.290 -4.213 -0.213) 4.228 12.676 ( -0.193 -0.336 0.229) 0.450 12.772 ( -0.505 1.161 -0.251) 1.291 12.798 ( 0.355 1.756 1.096) 2.101 12.931 ( -0.241 -0.885 0.215) 0.942 13.012 ( 0.028 1.170 -0.259) 1.199 13.168 ( -0.996 -3.288 0.706) 3.508 13.341 ( -0.161 0.765 0.183) 0.803 13.423 ( -0.569 -0.141 -0.077) 0.592 13.448 ( -1.027 -0.370 -0.087) 1.095 ======================= Grid point 2 (3/97) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( 16.123 -16.296 -7.853) 24.231 1.193 ( 30.338 -11.703 8.431) 33.592 1.624 ( -10.307 10.305 3.285) 14.940 1.956 ( 4.042 -50.226 5.384) 50.675 2.134 ( 1.217 0.022 -0.403) 1.282 2.234 ( -12.594 5.233 -6.535) 15.123 2.410 ( -0.859 -12.016 -2.195) 12.246 2.479 ( -0.167 -1.996 2.684) 3.350 2.674 ( -0.430 -1.937 0.902) 2.179 2.763 ( 4.380 -0.804 -3.586) 5.717 2.831 ( 4.006 3.280 -2.471) 5.737 2.942 ( -3.422 10.989 5.851) 12.911 3.082 ( -3.655 2.609 1.803) 4.839 3.160 ( 0.369 6.115 -1.029) 6.212 3.460 ( 3.273 14.304 2.259) 14.847 3.538 ( -1.589 2.095 -0.429) 2.664 3.622 ( 0.824 11.544 0.730) 11.596 3.665 ( -3.603 -4.912 -2.761) 6.688 3.775 ( -0.873 1.084 -0.290) 1.422 3.921 ( -3.564 8.647 0.177) 9.354 4.044 ( 4.513 -4.913 2.807) 7.238 4.150 ( 0.096 -5.679 0.611) 5.713 4.280 ( 0.838 -0.495 -1.445) 1.742 4.328 ( 3.107 -6.219 2.648) 7.439 4.522 ( 0.894 3.832 1.913) 4.375 4.537 ( 3.254 -7.926 -1.942) 8.785 4.647 ( -0.331 -0.302 -3.903) 3.928 4.823 ( -7.037 5.644 2.205) 9.286 4.894 ( 0.015 -5.390 0.638) 5.427 5.044 ( -2.156 -0.397 -5.226) 5.667 5.086 ( 2.115 2.379 -0.536) 3.228 5.167 ( 0.143 2.902 1.586) 3.310 5.243 ( 1.435 7.065 0.981) 7.275 5.317 ( -3.271 3.028 -1.469) 4.693 5.414 ( 2.623 -0.321 -0.588) 2.707 5.469 ( -2.805 0.897 1.733) 3.417 5.651 ( 2.048 -5.188 -3.071) 6.367 5.737 ( -1.148 -3.698 0.673) 3.930 5.937 ( -3.207 1.317 -1.304) 3.704 5.985 ( 4.379 -0.189 -0.498) 4.411 6.000 ( 1.075 -3.091 0.862) 3.384 6.076 ( 0.115 6.920 -0.348) 6.930 6.172 ( -2.898 2.594 2.897) 4.850 6.322 ( 3.435 13.907 -1.722) 14.428 6.458 ( -0.434 2.124 -1.595) 2.691 6.594 ( -1.687 0.829 1.935) 2.698 6.662 ( 4.380 -0.022 0.642) 4.427 6.868 ( -5.583 0.373 0.773) 5.648 7.331 ( -0.219 -6.699 -0.463) 6.718 7.536 ( 2.343 -1.375 0.139) 2.720 7.635 ( 1.661 -7.628 -2.233) 8.120 7.714 ( 0.880 -12.339 0.750) 12.393 7.857 ( -1.827 -0.802 0.356) 2.026 7.925 ( -0.308 -2.572 0.230) 2.601 8.143 ( -2.132 -6.879 0.364) 7.211 8.443 ( 1.999 10.313 0.060) 10.505 9.980 ( 0.864 -1.687 0.486) 1.957 10.098 ( 0.763 6.399 0.216) 6.448 10.337 ( -0.767 -0.074 -1.969) 2.114 10.361 ( -1.380 0.783 0.337) 1.622 10.442 ( 0.326 1.533 1.826) 2.407 10.459 ( 1.273 -0.754 -0.223) 1.496 10.679 ( -0.314 -0.787 -0.278) 0.891 10.696 ( 0.041 0.421 0.373) 0.563 10.917 ( 0.154 0.515 0.660) 0.852 11.105 ( -0.329 1.262 -0.379) 1.358 11.138 ( -0.984 -0.496 0.122) 1.109 11.641 ( -3.217 -0.210 -2.151) 3.876 11.950 ( 0.897 -1.991 -0.446) 2.229 12.001 ( 0.801 2.200 0.328) 2.364 12.108 ( 0.436 -1.748 -0.012) 1.801 12.221 ( -0.492 2.724 -0.173) 2.774 12.377 ( -1.317 -2.701 -0.438) 3.037 12.456 ( 0.055 4.173 0.091) 4.174 12.674 ( -0.542 -2.647 1.010) 2.885 12.684 ( 0.575 -1.266 -1.280) 1.890 12.746 ( -0.692 0.961 -0.411) 1.254 12.777 ( 0.082 2.580 0.964) 2.755 12.946 ( -0.282 -1.478 0.291) 1.533 12.993 ( 0.178 1.617 -0.342) 1.662 13.212 ( 0.485 -3.033 0.218) 3.080 13.322 ( -0.406 1.754 0.136) 1.806 13.420 ( -0.714 -0.681 0.085) 0.990 13.438 ( -0.240 0.593 -0.187) 0.667 ======================= Grid point 3 (4/97) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( -0.003 0.003 0.003) 0.005 1.439 ( 0.002 -0.002 0.000) 0.002 1.681 ( -0.002 0.001 -0.001) 0.002 1.785 ( 0.004 -0.002 0.001) 0.005 2.137 ( 0.001 0.001 0.001) 0.002 2.479 ( 0.007 0.003 -0.002) 0.008 2.512 ( -0.006 -0.006 0.004) 0.009 2.659 ( 0.001 -0.000 -0.000) 0.001 2.752 ( 0.010 0.102 -0.022) 0.105 2.754 ( -0.009 -0.103 0.024) 0.106 2.830 ( -0.038 -0.064 0.033) 0.081 2.832 ( 0.037 0.063 -0.032) 0.080 2.989 ( -0.001 0.001 0.000) 0.001 3.054 ( 0.002 0.002 0.000) 0.002 3.225 ( 0.001 -0.002 0.000) 0.002 3.517 ( 0.001 0.001 0.000) 0.001 3.608 ( 0.001 -0.001 0.001) 0.002 3.684 ( -0.001 0.001 -0.001) 0.002 3.760 ( 0.001 -0.000 0.001) 0.001 3.817 ( 0.000 -0.001 0.000) 0.001 4.156 ( -0.002 0.002 -0.002) 0.003 4.173 ( 0.002 -0.001 0.001) 0.003 4.266 ( 0.002 -0.001 0.001) 0.002 4.436 ( -0.000 0.001 -0.001) 0.002 4.500 ( 0.001 -0.003 0.002) 0.004 4.546 ( -0.001 0.002 0.001) 0.003 4.689 ( 0.000 -0.000 -0.000) 0.000 4.716 ( 0.000 0.001 0.000) 0.001 4.984 ( 0.000 0.000 -0.000) 0.000 5.030 ( -0.002 -0.006 0.001) 0.006 5.069 ( 0.002 0.006 0.000) 0.006 5.126 ( 0.001 -0.000 -0.000) 0.001 5.199 ( 0.000 0.002 0.001) 0.002 5.266 ( 0.002 -0.000 0.001) 0.003 5.437 ( 0.002 0.001 -0.000) 0.002 5.441 ( -0.001 -0.001 0.000) 0.001 5.698 ( -0.001 0.002 0.003) 0.004 5.775 ( 0.002 -0.001 -0.003) 0.003 5.912 ( 0.000 -0.000 -0.000) 0.000 5.967 ( 0.000 0.001 0.000) 0.001 6.027 ( 0.002 -0.001 -0.001) 0.003 6.050 ( -0.003 0.001 0.001) 0.003 6.168 ( -0.003 0.004 0.002) 0.005 6.198 ( 0.003 -0.004 -0.001) 0.005 6.461 ( 0.001 -0.000 -0.000) 0.001 6.574 ( 0.001 0.001 0.002) 0.002 6.728 ( -0.000 -0.000 -0.000) 0.000 6.794 ( 0.001 -0.000 -0.000) 0.001 7.380 ( 0.001 0.000 0.000) 0.001 7.542 ( -0.000 -0.001 0.000) 0.001 7.727 ( 0.000 -0.000 0.000) 0.000 7.794 ( 0.000 -0.000 -0.000) 0.000 7.893 ( -0.002 -0.023 0.003) 0.023 7.902 ( 0.002 0.022 -0.002) 0.022 8.189 ( 0.000 0.000 0.000) 0.000 8.370 ( -0.000 -0.000 -0.000) 0.000 10.015 ( 0.000 -0.000 0.000) 0.000 10.042 ( 0.000 0.000 0.000) 0.000 10.329 ( 0.000 0.000 -0.000) 0.000 10.346 ( -0.000 0.000 0.000) 0.000 10.435 ( 0.000 0.000 0.001) 0.001 10.472 ( -0.000 -0.000 -0.001) 0.001 10.686 ( 0.000 0.000 0.000) 0.000 10.689 ( 0.000 -0.000 -0.000) 0.000 10.926 ( 0.000 -0.000 0.000) 0.000 11.086 ( 0.000 -0.000 0.000) 0.000 11.134 ( 0.000 -0.000 0.000) 0.000 11.617 ( -0.000 0.000 -0.000) 0.000 11.976 ( -0.002 -0.006 -0.001) 0.007 11.979 ( 0.002 0.006 0.001) 0.006 12.138 ( 0.001 -0.001 0.000) 0.001 12.187 ( -0.000 0.001 0.000) 0.001 12.400 ( -0.000 -0.001 0.000) 0.001 12.414 ( 0.000 0.001 0.000) 0.001 12.689 ( 0.000 -0.000 -0.000) 0.000 12.699 ( -0.000 -0.000 0.001) 0.001 12.744 ( 0.001 0.002 -0.000) 0.002 12.748 ( 0.000 -0.002 -0.001) 0.002 12.961 ( 0.000 0.001 -0.000) 0.002 12.976 ( 0.000 -0.001 0.000) 0.001 13.245 ( 0.000 -0.000 0.000) 0.001 13.299 ( -0.000 0.000 0.000) 0.000 13.425 ( 0.001 0.002 -0.000) 0.002 13.427 ( -0.001 -0.002 0.001) 0.002 ======================= Grid point 8 (5/97) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( 27.950 0.000 -8.396) 29.184 0.563 ( 18.578 0.000 8.055) 20.249 1.221 ( 41.504 0.000 15.181) 44.194 1.930 ( -8.171 -0.000 1.150) 8.251 1.950 ( -4.228 -0.000 0.771) 4.298 2.203 ( 1.425 0.000 -0.337) 1.464 2.417 ( 3.663 0.000 -5.565) 6.662 2.602 ( -16.176 -0.000 -0.739) 16.193 2.639 ( 0.870 0.000 0.211) 0.896 2.732 ( 2.900 0.000 0.228) 2.909 2.788 ( -7.333 -0.000 -5.586) 9.218 2.956 ( 2.138 0.000 -0.728) 2.259 3.233 ( -7.060 -0.000 6.343) 9.491 3.437 ( 4.880 0.000 -2.511) 5.488 3.461 ( -1.146 -0.000 0.173) 1.159 3.553 ( -2.622 -0.000 -0.381) 2.650 3.576 ( 1.187 0.000 -0.332) 1.232 3.726 ( -1.066 -0.000 3.031) 3.213 3.811 ( -0.244 -0.000 3.022) 3.032 3.877 ( 1.969 0.000 0.544) 2.043 4.096 ( 3.697 0.000 4.405) 5.751 4.153 ( 4.170 0.000 -5.643) 7.017 4.205 ( 1.997 0.000 4.278) 4.721 4.311 ( 1.579 0.000 -1.367) 2.088 4.449 ( 2.993 0.000 6.226) 6.908 4.561 ( 1.679 0.000 -5.127) 5.395 4.653 ( 2.444 0.000 5.269) 5.809 4.830 ( 0.048 0.000 -6.283) 6.283 4.943 ( -3.785 -0.000 3.627) 5.242 5.098 ( -0.543 -0.000 -1.724) 1.808 5.110 ( -1.372 -0.000 -4.065) 4.291 5.228 ( -3.165 -0.000 0.317) 3.181 5.316 ( 1.625 0.000 3.012) 3.422 5.359 ( -6.570 -0.000 0.629) 6.600 5.415 ( -0.263 -0.000 3.256) 3.266 5.561 ( 0.099 0.000 -3.987) 3.988 5.604 ( 4.642 0.000 -3.937) 6.087 5.699 ( -2.533 -0.000 0.474) 2.577 5.802 ( 0.004 0.000 0.025) 0.025 5.942 ( -3.231 -0.000 -3.424) 4.707 6.048 ( 1.084 0.000 -2.673) 2.885 6.175 ( 5.105 0.000 -2.406) 5.644 6.201 ( -3.403 -0.000 4.563) 5.693 6.509 ( -8.919 -0.000 1.519) 9.048 6.526 ( 0.796 0.000 1.356) 1.573 6.737 ( -1.589 -0.000 2.142) 2.667 6.739 ( 4.818 0.000 -1.232) 4.973 6.887 ( 1.715 0.000 -3.017) 3.470 7.208 ( 2.323 0.000 0.762) 2.445 7.268 ( 2.787 0.000 -3.369) 4.373 7.477 ( -0.770 -0.000 -0.200) 0.796 7.673 ( 0.501 0.000 -1.612) 1.688 7.713 ( -0.015 -0.000 2.580) 2.580 7.855 ( 1.983 0.000 -1.932) 2.768 8.062 ( -3.280 -0.000 1.277) 3.519 8.609 ( 1.453 0.000 -0.433) 1.516 9.963 ( 1.710 0.000 0.991) 1.976 10.233 ( 1.265 0.000 -0.858) 1.529 10.347 ( -0.848 -0.000 -2.318) 2.468 10.382 ( -0.255 -0.000 0.375) 0.453 10.391 ( -1.081 -0.000 0.244) 1.109 10.467 ( 1.271 0.000 2.799) 3.074 10.668 ( -0.200 -0.000 -0.289) 0.352 10.692 ( -0.161 -0.000 0.408) 0.438 10.969 ( -0.580 -0.000 0.174) 0.605 11.095 ( -0.777 -0.000 0.045) 0.778 11.119 ( 0.125 0.000 0.045) 0.133 11.620 ( -6.268 -0.000 -3.872) 7.368 11.952 ( 3.080 0.000 -2.199) 3.785 12.002 ( 1.303 0.000 0.719) 1.488 12.115 ( -0.399 -0.000 -0.563) 0.690 12.261 ( -0.806 -0.000 -0.440) 0.918 12.334 ( -2.044 -0.000 -0.461) 2.095 12.555 ( -0.275 -0.000 0.210) 0.346 12.565 ( 0.713 0.000 -0.832) 1.096 12.671 ( -0.683 -0.000 0.455) 0.821 12.770 ( -0.916 -0.000 -0.535) 1.061 12.831 ( -1.146 -0.000 3.451) 3.636 12.922 ( -0.423 -0.000 0.526) 0.675 13.021 ( 0.199 0.000 -0.446) 0.489 13.117 ( 1.907 0.000 -0.052) 1.907 13.343 ( -0.324 -0.000 0.288) 0.433 13.411 ( -1.133 -0.000 -0.696) 1.329 13.425 ( 0.552 0.000 -0.683) 0.879 ======================= Grid point 9 (6/97) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( 25.081 -7.007 -7.142) 27.003 1.153 ( 11.668 -40.244 5.034) 42.203 1.675 ( -4.443 12.035 2.839) 13.139 1.797 ( 25.991 -5.315 12.834) 29.471 2.047 ( -3.948 -10.145 -1.308) 10.964 2.169 ( -12.444 10.139 -5.509) 16.970 2.263 ( -5.132 -0.579 -2.217) 5.620 2.461 ( -0.174 -1.512 -1.471) 2.117 2.664 ( 0.724 -1.359 0.234) 1.557 2.749 ( -4.284 -6.764 -2.665) 8.438 2.803 ( -0.654 -5.592 -1.362) 5.793 2.987 ( 1.417 1.166 -1.619) 2.447 3.102 ( -2.008 10.955 7.574) 13.469 3.325 ( 1.413 9.476 0.148) 9.582 3.436 ( -5.900 -3.976 -3.493) 7.926 3.584 ( 0.836 -0.366 -0.864) 1.257 3.630 ( 4.176 0.992 3.314) 5.423 3.767 ( -0.426 -2.881 2.031) 3.550 3.849 ( 1.931 4.575 2.884) 5.743 3.920 ( 0.405 -7.324 -0.847) 7.384 4.082 ( -0.225 14.744 2.320) 14.927 4.176 ( 2.120 -1.149 3.483) 4.236 4.296 ( 0.360 1.445 -1.096) 1.849 4.312 ( 6.078 -4.893 -1.034) 7.871 4.445 ( 2.416 1.072 3.201) 4.151 4.595 ( 1.090 -1.493 -7.949) 8.161 4.674 ( 0.857 4.515 6.628) 8.065 4.811 ( 0.295 -0.488 -2.963) 3.017 4.899 ( -1.238 3.864 4.447) 6.019 5.014 ( -1.395 4.157 -5.673) 7.170 5.110 ( 0.807 -0.687 -0.650) 1.244 5.191 ( -2.511 0.166 0.407) 2.549 5.261 ( -4.016 1.233 -0.647) 4.251 5.378 ( 0.079 -2.380 -1.034) 2.596 5.403 ( 1.623 4.999 3.336) 6.225 5.449 ( -3.542 3.855 -3.861) 6.505 5.651 ( 5.196 -0.608 -3.215) 6.140 5.687 ( -0.891 -2.182 1.127) 2.612 5.880 ( -3.600 -1.637 -3.286) 5.142 5.919 ( 0.598 -10.319 -0.089) 10.337 6.030 ( 1.606 2.600 -2.242) 3.791 6.147 ( -4.282 1.516 1.060) 4.665 6.224 ( 5.018 5.164 2.051) 7.487 6.376 ( -13.055 0.283 0.890) 13.088 6.520 ( 1.902 4.505 0.059) 4.891 6.662 ( 1.453 11.168 1.767) 11.400 6.754 ( 5.278 2.821 -1.356) 6.137 6.843 ( -1.211 2.063 -0.011) 2.392 7.276 ( 2.279 -2.348 -0.628) 3.331 7.409 ( 1.734 -14.919 0.030) 15.019 7.517 ( -0.424 -8.933 -0.157) 8.944 7.683 ( 1.854 0.186 -1.345) 2.298 7.797 ( -0.499 -6.760 2.313) 7.162 7.867 ( -0.003 -1.647 -1.169) 2.019 8.047 ( -3.589 -3.880 0.942) 5.369 8.579 ( 1.424 6.373 -0.464) 6.546 9.992 ( 1.799 0.108 1.014) 2.068 10.204 ( 1.408 6.344 -0.017) 6.499 10.317 ( -0.625 0.540 -2.580) 2.709 10.343 ( -2.046 0.157 0.483) 2.108 10.438 ( 0.154 -2.537 -0.266) 2.556 10.492 ( 0.997 0.751 3.011) 3.259 10.665 ( -0.377 -0.293 -0.291) 0.559 10.692 ( -0.731 -0.487 0.203) 0.901 10.946 ( 0.435 2.399 0.861) 2.586 11.099 ( -0.346 -1.169 -0.491) 1.314 11.118 ( -1.250 -0.017 -0.136) 1.258 11.546 ( -5.180 -3.225 -3.570) 7.070 11.958 ( 1.495 1.134 -0.990) 2.121 12.029 ( 1.425 -0.204 0.724) 1.612 12.104 ( 0.283 0.351 -0.338) 0.563 12.238 ( -1.137 1.001 -0.665) 1.654 12.321 ( -1.883 -1.909 -0.344) 2.703 12.508 ( 0.044 3.696 -0.058) 3.697 12.623 ( 0.212 -4.417 -0.479) 4.448 12.669 ( -0.532 -0.697 0.136) 0.887 12.747 ( -1.086 0.911 -0.420) 1.478 12.817 ( -0.104 2.260 1.525) 2.728 12.928 ( -0.285 -0.948 0.456) 1.090 13.012 ( 0.347 1.191 -0.542) 1.354 13.174 ( 0.915 -3.737 0.374) 3.865 13.334 ( -0.670 1.045 0.337) 1.286 13.398 ( -1.263 -0.881 -0.143) 1.547 13.433 ( 0.106 -0.505 -0.533) 0.742 ======================= Grid point 10 (7/97) ======================= q-point: ( 0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( 9.573 2.563 0.533) 9.924 1.438 ( -3.712 3.041 -1.591) 5.056 1.649 ( -16.544 19.846 -6.125) 26.553 1.838 ( 15.897 -26.483 3.234) 31.057 2.092 ( -1.506 -3.232 -1.267) 3.784 2.260 ( -0.813 -19.507 4.158) 19.962 2.353 ( 1.298 -13.417 1.596) 13.573 2.487 ( 0.118 -3.849 -1.774) 4.240 2.694 ( 1.083 -0.866 1.214) 1.843 2.782 ( -1.438 -2.892 -0.704) 3.306 2.839 ( -1.280 -0.393 -0.561) 1.451 2.919 ( -3.443 -0.652 1.070) 3.664 3.033 ( 4.909 9.770 0.279) 10.938 3.269 ( 3.896 3.324 0.285) 5.129 3.439 ( -2.634 -1.817 -1.355) 3.475 3.551 ( -0.810 33.377 1.232) 33.410 3.625 ( 2.894 1.187 1.238) 3.364 3.664 ( 1.190 2.452 2.086) 3.432 3.792 ( 1.553 3.324 0.654) 3.727 3.884 ( 0.648 6.964 1.931) 7.256 4.058 ( -0.823 -11.461 -2.141) 11.688 4.156 ( -3.483 2.595 -1.913) 4.746 4.291 ( 1.490 0.464 1.616) 2.246 4.434 ( -0.435 -0.929 -2.560) 2.758 4.476 ( 0.828 -0.303 1.084) 1.397 4.606 ( -0.634 -1.253 2.389) 2.771 4.646 ( 3.908 -0.308 0.735) 3.989 4.787 ( 1.780 2.846 -1.338) 3.614 4.919 ( -0.192 -4.151 2.371) 4.785 4.979 ( 1.561 -1.551 -1.813) 2.851 5.103 ( -2.888 1.568 1.104) 3.467 5.139 ( -1.199 0.313 -1.022) 1.606 5.244 ( -0.579 1.553 -0.690) 1.795 5.324 ( 2.667 8.157 0.003) 8.582 5.359 ( -3.938 -2.223 -2.462) 5.149 5.441 ( 1.562 -2.426 -1.925) 3.469 5.709 ( 5.355 -0.615 -1.637) 5.633 5.735 ( -0.983 -4.209 1.662) 4.631 5.846 ( -2.729 -2.046 0.218) 3.418 5.994 ( -0.590 -1.565 -0.595) 1.775 6.033 ( -2.718 0.610 -0.859) 2.915 6.111 ( -0.836 0.568 -0.183) 1.027 6.161 ( 1.233 9.323 2.929) 9.850 6.235 ( -4.783 -0.723 -0.945) 4.929 6.456 ( 0.392 7.548 -0.918) 7.614 6.577 ( -1.510 1.244 1.988) 2.790 6.740 ( -2.174 3.323 -0.534) 4.006 6.855 ( 7.447 0.305 -0.432) 7.465 7.338 ( 0.585 -4.329 0.668) 4.419 7.572 ( 0.465 -1.321 0.154) 1.409 7.651 ( 1.162 -10.667 -1.465) 10.830 7.734 ( 0.334 -8.632 0.075) 8.639 7.802 ( -2.447 0.062 -0.265) 2.462 7.926 ( -0.169 -2.650 1.217) 2.921 8.104 ( -1.229 -8.523 0.005) 8.611 8.477 ( 0.846 10.199 -0.252) 10.237 10.010 ( 0.952 0.124 0.504) 1.084 10.114 ( 0.344 7.847 0.073) 7.855 10.311 ( 0.095 -1.649 -1.217) 2.052 10.335 ( -0.927 -1.235 0.189) 1.556 10.437 ( -0.424 1.495 -1.180) 1.952 10.499 ( 0.265 1.682 2.486) 3.013 10.667 ( -0.361 -1.019 -0.286) 1.119 10.691 ( -0.517 -0.399 0.097) 0.660 10.937 ( 0.654 1.118 0.583) 1.421 11.080 ( -1.092 0.614 -0.948) 1.571 11.124 ( 0.072 -1.590 0.024) 1.592 11.557 ( -1.792 -6.180 -1.237) 6.552 11.952 ( -0.217 0.060 -0.365) 0.428 12.029 ( 1.050 2.698 0.270) 2.908 12.126 ( 0.906 -2.177 0.217) 2.368 12.201 ( -0.943 2.257 -0.419) 2.482 12.340 ( -1.150 -3.929 -0.367) 4.110 12.462 ( 0.351 3.397 0.080) 3.416 12.674 ( -0.487 -2.605 1.287) 2.946 12.681 ( 0.551 -2.002 -1.708) 2.688 12.723 ( -0.838 0.406 -0.144) 0.943 12.788 ( 0.049 2.824 0.665) 2.901 12.944 ( -0.104 -1.510 0.294) 1.542 12.994 ( 0.278 1.652 -0.420) 1.727 13.232 ( 0.897 -2.844 0.187) 2.988 13.303 ( -1.321 1.723 0.215) 2.182 13.405 ( -0.483 -1.568 0.132) 1.645 13.435 ( 0.217 0.128 -0.375) 0.452 ======================= Grid point 11 (8/97) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( -14.771 18.065 2.042) 23.425 1.123 ( -9.971 24.103 -3.637) 26.336 1.601 ( 9.243 -8.090 -2.592) 12.554 2.067 ( -3.171 -3.733 -1.792) 5.215 2.272 ( 12.824 -3.941 2.715) 13.688 2.381 ( -5.270 -6.559 2.706) 8.838 2.522 ( 0.290 1.066 -0.990) 1.484 2.658 ( -3.064 -20.667 -0.260) 20.894 2.715 ( -0.529 10.268 -0.581) 10.298 2.765 ( 0.049 13.829 3.633) 14.298 2.784 ( 0.291 2.419 0.315) 2.457 2.829 ( -2.354 18.368 -2.126) 18.640 2.940 ( -0.274 8.602 -0.905) 8.654 3.019 ( -1.324 -12.361 -2.365) 12.655 3.372 ( 5.917 -6.625 0.667) 8.908 3.505 ( -0.155 -3.174 -0.530) 3.222 3.614 ( 0.113 6.418 0.865) 6.477 3.750 ( 0.882 2.488 0.792) 2.756 3.779 ( 1.741 -6.069 3.814) 7.376 3.876 ( 3.879 -0.828 -0.802) 4.047 4.004 ( -5.046 3.712 -3.602) 7.226 4.207 ( 0.589 -4.258 0.214) 4.304 4.294 ( -0.532 0.542 1.036) 1.284 4.311 ( -3.276 3.287 -4.125) 6.209 4.515 ( 0.002 8.298 3.552) 9.027 4.606 ( 1.184 -5.253 2.801) 6.070 4.683 ( -0.494 5.749 -0.267) 5.776 4.837 ( 6.398 -5.208 -2.757) 8.698 4.959 ( -1.753 1.765 0.932) 2.656 5.015 ( -0.062 -2.590 0.369) 2.617 5.076 ( -1.350 -2.553 1.894) 3.453 5.158 ( 2.314 4.399 -0.843) 5.042 5.170 ( -0.260 -1.484 0.950) 1.781 5.281 ( -2.995 -3.745 -1.519) 5.030 5.366 ( 0.063 -1.462 -0.685) 1.615 5.479 ( 2.706 -0.740 -2.224) 3.580 5.736 ( -1.332 4.361 2.910) 5.409 5.773 ( 2.599 -1.326 -0.619) 2.983 5.909 ( -0.634 -5.439 -0.360) 5.488 5.948 ( -2.660 -2.349 0.709) 3.619 5.974 ( -1.964 2.528 -0.643) 3.265 6.060 ( 0.396 3.670 -1.168) 3.872 6.115 ( -1.074 -4.956 1.497) 5.287 6.260 ( 2.934 5.262 -2.198) 6.413 6.384 ( -4.537 -5.191 2.825) 7.451 6.588 ( 0.661 -1.580 -0.144) 1.718 6.657 ( -1.652 4.022 -0.895) 4.439 6.938 ( 5.710 0.185 -0.773) 5.765 7.405 ( 1.090 -2.669 1.366) 3.190 7.497 ( -2.515 5.790 -0.754) 6.358 7.717 ( -0.758 3.870 0.476) 3.973 7.811 ( 1.258 -2.857 -0.272) 3.134 7.873 ( -1.276 -8.043 -0.014) 8.144 7.898 ( -0.090 4.760 -0.243) 4.767 8.227 ( 2.136 -7.372 0.471) 7.690 8.340 ( -1.735 7.674 -0.487) 7.883 10.017 ( 0.169 3.619 0.200) 3.628 10.034 ( -0.424 -0.577 -0.327) 0.787 10.342 ( 0.560 -2.632 -0.353) 2.714 10.354 ( 0.455 -1.203 1.452) 1.939 10.402 ( -0.967 0.151 -2.218) 2.425 10.480 ( -0.384 2.415 1.351) 2.793 10.678 ( -0.291 -1.382 -0.373) 1.461 10.691 ( 0.058 0.293 0.199) 0.358 10.922 ( 0.007 1.489 -0.292) 1.518 11.082 ( -0.146 -2.073 -0.150) 2.084 11.146 ( 0.541 -0.778 0.038) 0.948 11.633 ( 0.606 -5.688 0.517) 5.744 11.959 ( -0.428 -2.125 -0.143) 2.172 11.992 ( 0.209 4.029 0.141) 4.037 12.138 ( -0.015 2.905 0.015) 2.905 12.186 ( -0.029 -2.849 -0.024) 2.850 12.391 ( -0.187 -4.849 -0.177) 4.856 12.427 ( 0.403 2.752 0.179) 2.787 12.690 ( 0.344 0.255 -0.591) 0.729 12.696 ( -0.494 -0.267 0.621) 0.837 12.736 ( -0.166 -2.817 -0.133) 2.825 12.757 ( 0.264 1.817 0.041) 1.836 12.965 ( 0.265 -0.553 0.118) 0.624 12.973 ( -0.150 0.547 -0.166) 0.591 13.244 ( -0.065 2.480 -0.007) 2.481 13.294 ( -0.290 -2.501 0.094) 2.520 13.425 ( -0.018 -1.525 0.106) 1.529 13.432 ( 0.295 0.387 -0.179) 0.518 ======================= Grid point 12 (9/97) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( -0.000 21.752 -0.000) 21.752 0.721 ( -0.000 26.327 -0.000) 26.327 1.758 ( 0.000 -4.021 0.000) 4.021 1.856 ( -0.000 61.219 -0.000) 61.219 2.087 ( 0.000 -3.445 0.000) 3.445 2.381 ( 0.000 -1.363 0.000) 1.363 2.462 ( -0.000 14.075 -0.000) 14.075 2.507 ( 0.000 -8.501 0.000) 8.501 2.686 ( -0.000 2.999 -0.000) 2.999 2.706 ( -0.000 1.701 -0.000) 1.701 2.796 ( 0.000 -1.909 0.000) 1.909 2.970 ( 0.000 -12.112 0.000) 12.112 3.042 ( 0.000 -15.127 0.000) 15.127 3.210 ( 0.000 -15.470 0.000) 15.470 3.427 ( -0.000 13.639 -0.000) 13.639 3.561 ( 0.000 -2.089 0.000) 2.089 3.596 ( 0.000 -16.354 0.000) 16.354 3.735 ( -0.000 0.420 -0.000) 0.420 3.868 ( -0.000 0.266 -0.000) 0.266 3.870 ( 0.000 -0.371 0.000) 0.371 3.984 ( 0.000 -3.327 0.000) 3.327 4.163 ( -0.000 8.974 -0.000) 8.974 4.204 ( -0.000 4.147 -0.000) 4.147 4.338 ( 0.000 -0.331 0.000) 0.331 4.483 ( 0.000 -3.023 0.000) 3.023 4.494 ( -0.000 13.541 -0.000) 13.541 4.682 ( -0.000 2.214 -0.000) 2.214 4.904 ( -0.000 1.314 -0.000) 1.314 4.930 ( 0.000 -1.907 0.000) 1.907 5.061 ( 0.000 -4.846 0.000) 4.846 5.121 ( -0.000 0.421 -0.000) 0.421 5.170 ( 0.000 -10.345 0.000) 10.345 5.184 ( -0.000 0.510 -0.000) 0.510 5.363 ( 0.000 -7.730 0.000) 7.730 5.376 ( 0.000 -0.500 0.000) 0.500 5.489 ( -0.000 0.762 -0.000) 0.762 5.629 ( -0.000 7.747 -0.000) 7.747 5.821 ( -0.000 5.287 -0.000) 5.287 5.834 ( 0.000 -0.868 0.000) 0.868 5.972 ( 0.000 -1.992 0.000) 1.992 6.024 ( 0.000 -1.124 0.000) 1.124 6.123 ( 0.000 -11.376 0.000) 11.376 6.171 ( -0.000 5.321 -0.000) 5.321 6.239 ( 0.000 -13.594 0.000) 13.594 6.470 ( 0.000 -8.341 0.000) 8.341 6.605 ( -0.000 0.705 -0.000) 0.705 6.616 ( 0.000 -1.072 0.000) 1.072 6.948 ( -0.000 3.297 -0.000) 3.297 7.344 ( -0.000 9.220 -0.000) 9.220 7.494 ( 0.000 -1.980 0.000) 1.980 7.627 ( -0.000 6.082 -0.000) 6.082 7.694 ( -0.000 15.311 -0.000) 15.311 7.878 ( -0.000 2.485 -0.000) 2.485 7.926 ( 0.000 -0.136 0.000) 0.136 8.175 ( -0.000 9.204 -0.000) 9.204 8.409 ( 0.000 -11.967 0.000) 11.967 9.967 ( -0.000 2.465 -0.000) 2.465 10.084 ( 0.000 -5.883 0.000) 5.883 10.371 ( 0.000 -0.009 0.000) 0.009 10.379 ( 0.000 -2.336 0.000) 2.336 10.409 ( 0.000 -2.461 0.000) 2.461 10.447 ( -0.000 2.314 -0.000) 2.314 10.685 ( -0.000 0.721 -0.000) 0.721 10.691 ( 0.000 -0.655 0.000) 0.655 10.915 ( 0.000 -1.052 0.000) 1.052 11.110 ( 0.000 -1.871 0.000) 1.871 11.150 ( -0.000 0.847 -0.000) 0.847 11.704 ( 0.000 -3.305 0.000) 3.305 11.934 ( -0.000 4.376 -0.000) 4.376 11.990 ( 0.000 -2.084 0.000) 2.084 12.104 ( -0.000 1.173 -0.000) 1.173 12.228 ( 0.000 -2.846 0.000) 2.846 12.397 ( -0.000 2.129 -0.000) 2.129 12.456 ( 0.000 -4.754 0.000) 4.754 12.676 ( -0.000 2.845 -0.000) 2.845 12.683 ( -0.000 0.568 -0.000) 0.568 12.758 ( 0.000 -1.193 0.000) 1.193 12.769 ( 0.000 -2.209 0.000) 2.209 12.948 ( -0.000 1.515 -0.000) 1.515 12.993 ( 0.000 -1.763 0.000) 1.763 13.206 ( -0.000 2.720 -0.000) 2.720 13.324 ( 0.000 -1.850 0.000) 1.850 13.429 ( -0.000 0.306 -0.000) 0.306 13.444 ( 0.000 -1.192 0.000) 1.192 ======================= Grid point 15 (10/97) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 97 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 9.097 0.000 6.037) 10.918 1.127 ( 24.666 0.000 -3.750) 24.949 1.738 ( -8.629 -0.000 3.400) 9.275 1.873 ( -2.668 -0.000 0.653) 2.747 2.097 ( -2.177 -0.000 -0.193) 2.185 2.146 ( -12.951 -0.000 -6.418) 14.454 2.225 ( 21.557 0.000 7.668) 22.880 2.425 ( -0.631 -0.000 -4.075) 4.123 2.499 ( -6.310 -0.000 -5.115) 8.123 2.695 ( 1.111 0.000 1.938) 2.233 2.824 ( 3.878 0.000 1.040) 4.015 2.990 ( -3.027 -0.000 -0.248) 3.038 3.215 ( 2.164 0.000 5.183) 5.617 3.266 ( -7.591 -0.000 -3.814) 8.496 3.489 ( 1.460 0.000 -0.689) 1.614 3.584 ( 0.258 0.000 -1.504) 1.526 3.595 ( -0.732 -0.000 3.765) 3.835 3.762 ( 1.103 0.000 1.421) 1.799 3.927 ( 1.062 0.000 2.896) 3.085 3.943 ( 6.601 0.000 6.673) 9.386 4.140 ( 0.285 0.000 -6.369) 6.375 4.178 ( -1.520 -0.000 6.069) 6.257 4.327 ( 1.284 0.000 -3.513) 3.740 4.337 ( 3.886 0.000 2.900) 4.849 4.496 ( 0.378 0.000 -11.455) 11.461 4.637 ( 5.693 0.000 8.128) 9.923 4.742 ( -0.341 -0.000 7.054) 7.063 4.809 ( 2.065 0.000 -2.178) 3.002 4.947 ( 0.983 0.000 0.232) 1.010 5.034 ( -0.839 -0.000 -5.746) 5.807 5.087 ( 0.207 0.000 1.343) 1.359 5.135 ( -5.939 -0.000 1.089) 6.038 5.233 ( -1.425 -0.000 0.098) 1.428 5.366 ( 0.863 0.000 0.607) 1.055 5.372 ( -6.840 -0.000 -2.619) 7.324 5.544 ( 6.238 0.000 -3.030) 6.935 5.676 ( -0.302 -0.000 2.016) 2.039 5.688 ( 4.422 0.000 -0.138) 4.424 5.743 ( -3.320 -0.000 -1.597) 3.684 5.852 ( 0.879 0.000 -6.605) 6.664 6.063 ( 1.193 0.000 -1.124) 1.639 6.093 ( -6.811 -0.000 2.190) 7.154 6.203 ( -15.424 -0.000 0.767) 15.443 6.347 ( 6.675 0.000 1.009) 6.751 6.550 ( -0.577 -0.000 1.688) 1.784 6.763 ( 0.680 0.000 0.621) 0.921 6.839 ( 4.213 0.000 -1.756) 4.564 6.873 ( -0.471 -0.000 -0.844) 0.966 7.286 ( 3.088 0.000 0.619) 3.149 7.311 ( 2.153 0.000 -0.307) 2.174 7.449 ( -1.285 -0.000 -0.229) 1.305 7.694 ( 3.123 0.000 -1.307) 3.386 7.753 ( 0.256 0.000 3.577) 3.586 7.870 ( 0.967 0.000 -2.223) 2.424 7.961 ( -6.251 -0.000 1.216) 6.369 8.632 ( 0.782 0.000 -0.695) 1.047 10.025 ( 2.103 0.000 1.074) 2.361 10.256 ( 1.152 0.000 -0.598) 1.298 10.309 ( -0.332 -0.000 -1.968) 1.996 10.366 ( -1.286 -0.000 0.674) 1.452 10.379 ( -0.181 -0.000 0.059) 0.191 10.524 ( 0.800 0.000 2.625) 2.744 10.658 ( -0.330 -0.000 -0.311) 0.454 10.676 ( -1.308 -0.000 0.086) 1.311 10.983 ( 1.099 0.000 1.195) 1.623 11.076 ( -0.579 -0.000 -0.231) 0.624 11.109 ( -0.716 -0.000 -0.668) 0.979 11.433 ( -4.968 -0.000 -3.721) 6.207 11.980 ( 0.782 0.000 -0.835) 1.144 12.049 ( 1.602 0.000 0.843) 1.810 12.109 ( 0.324 0.000 -0.362) 0.486 12.212 ( -2.062 -0.000 -1.305) 2.440 12.294 ( -1.069 -0.000 0.259) 1.100 12.551 ( -0.238 -0.000 0.209) 0.317 12.576 ( 0.925 0.000 -0.998) 1.361 12.657 ( -0.721 -0.000 0.202) 0.749 12.739 ( -1.026 -0.000 -0.414) 1.107 12.839 ( -0.499 -0.000 1.566) 1.644 12.920 ( -0.208 -0.000 0.463) 0.508 13.023 ( 0.393 0.000 -0.493) 0.630 13.162 ( 1.579 0.000 0.054) 1.580 13.341 ( -0.054 -0.000 0.283) 0.288 13.369 ( -1.731 -0.000 -0.137) 1.737 13.430 ( 0.441 0.000 -0.664) 0.797 ======================= Grid point 16 (11/97) ======================= q-point: ( 0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( -4.336 -11.737 4.233) 13.209 1.395 ( 18.841 -7.136 -5.866) 20.984 1.606 ( -1.543 -3.616 4.770) 6.182 1.790 ( -6.734 21.641 -3.723) 22.968 1.973 ( -1.362 -9.288 -1.009) 9.441 2.058 ( -8.371 -8.604 0.019) 12.004 2.412 ( -0.794 -2.128 -0.281) 2.289 2.478 ( 12.579 5.659 2.448) 14.009 2.549 ( -3.173 -16.468 -3.593) 17.151 2.716 ( 0.935 0.135 0.643) 1.143 2.866 ( 1.986 1.138 0.983) 2.491 2.923 ( -4.573 2.869 1.606) 5.633 3.219 ( 3.642 7.319 0.841) 8.218 3.268 ( -1.174 -11.580 -1.746) 11.769 3.365 ( -0.815 8.636 1.435) 8.792 3.586 ( 0.233 -1.471 -0.430) 1.551 3.740 ( 1.277 0.429 1.742) 2.203 3.768 ( -0.465 -7.480 0.881) 7.546 3.934 ( 1.305 0.819 0.691) 1.688 3.986 ( 5.611 6.271 1.033) 8.478 4.107 ( -3.209 15.571 3.906) 16.371 4.140 ( -1.076 5.064 1.359) 5.353 4.299 ( 0.495 0.383 -5.670) 5.704 4.368 ( -0.450 -4.677 -3.088) 5.623 4.523 ( 2.671 -8.146 1.153) 8.650 4.596 ( 1.997 14.946 1.446) 15.148 4.741 ( -0.259 4.733 4.880) 6.804 4.808 ( 0.353 1.559 -2.381) 2.868 4.931 ( 1.524 1.293 0.189) 2.008 4.991 ( 0.902 0.418 -2.169) 2.386 5.069 ( -3.838 0.719 1.684) 4.253 5.114 ( -0.225 -1.448 0.118) 1.470 5.237 ( -3.312 -3.766 -1.761) 5.316 5.270 ( -0.940 2.492 -1.751) 3.187 5.373 ( 0.064 0.615 -0.769) 0.986 5.550 ( 7.729 6.308 -0.686) 10.000 5.675 ( -2.580 -2.100 2.228) 4.004 5.769 ( 2.019 -2.679 3.882) 5.131 5.799 ( 3.043 -0.602 -5.810) 6.587 5.914 ( 1.119 -10.272 -2.817) 10.710 5.995 ( -5.044 1.788 0.703) 5.397 6.048 ( -10.144 -7.401 0.166) 12.558 6.087 ( -2.168 0.691 0.826) 2.421 6.356 ( 3.288 9.405 0.803) 9.996 6.548 ( 0.269 -0.322 0.153) 0.447 6.686 ( -0.198 16.903 0.223) 16.906 6.757 ( -1.008 2.473 -0.375) 2.697 6.914 ( 3.461 -1.997 -0.245) 4.003 7.326 ( 1.545 -0.002 0.079) 1.547 7.450 ( 1.518 -13.465 0.267) 13.553 7.494 ( -1.222 -10.132 -0.249) 10.209 7.724 ( 2.139 1.455 0.141) 2.591 7.788 ( -1.339 1.195 -1.187) 2.152 7.877 ( 0.817 -5.141 2.388) 5.727 7.960 ( -3.278 -8.163 -0.832) 8.836 8.595 ( 0.359 5.896 -0.369) 5.918 10.040 ( 1.071 1.433 0.538) 1.868 10.236 ( 0.960 8.215 0.262) 8.275 10.286 ( -0.096 -0.399 -1.633) 1.683 10.307 ( -1.190 -0.788 0.469) 1.502 10.433 ( -0.169 -1.938 -0.238) 1.960 10.534 ( 0.243 1.244 1.584) 2.029 10.654 ( -0.246 -0.243 -0.112) 0.364 10.670 ( -0.737 -1.214 -0.036) 1.421 10.978 ( 0.928 2.683 0.841) 2.961 11.076 ( -1.134 1.970 -0.991) 2.479 11.095 ( 0.032 -2.667 -0.050) 2.668 11.427 ( -1.987 -7.387 -1.496) 7.794 11.965 ( 0.059 1.927 -0.327) 1.955 12.067 ( 0.896 0.788 0.354) 1.245 12.114 ( 0.467 -0.806 0.024) 0.932 12.198 ( -0.991 -0.927 -0.701) 1.527 12.289 ( -0.730 -1.136 0.059) 1.352 12.511 ( 0.150 3.467 -0.044) 3.470 12.625 ( 0.268 -4.171 -0.360) 4.195 12.658 ( -0.368 -1.131 0.113) 1.194 12.722 ( -0.568 0.635 -0.193) 0.874 12.825 ( -0.127 2.091 0.590) 2.177 12.927 ( -0.073 -0.969 0.226) 0.997 13.016 ( 0.271 1.274 -0.304) 1.338 13.200 ( 0.661 -2.959 0.133) 3.035 13.318 ( -0.717 2.185 0.115) 2.303 13.376 ( -0.437 -2.057 0.052) 2.103 13.433 ( 0.190 -0.258 -0.330) 0.460 ======================= Grid point 17 (12/97) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 97 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( -0.000 18.943 -0.000) 18.943 1.408 ( -0.000 25.297 -0.000) 25.297 1.571 ( 0.000 -5.348 0.000) 5.348 1.965 ( 0.000 -13.048 0.000) 13.048 2.081 ( 0.000 -31.465 0.000) 31.465 2.212 ( 0.000 -16.545 0.000) 16.545 2.417 ( -0.000 3.373 -0.000) 3.373 2.491 ( 0.000 -2.029 0.000) 2.029 2.716 ( 0.000 -9.189 0.000) 9.189 2.722 ( 0.000 -0.197 0.000) 0.197 2.845 ( -0.000 4.282 -0.000) 4.282 2.883 ( 0.000 -3.547 0.000) 3.547 3.101 ( -0.000 13.592 -0.000) 13.592 3.316 ( 0.000 -2.432 0.000) 2.432 3.413 ( -0.000 0.107 -0.000) 0.107 3.538 ( -0.000 31.299 -0.000) 31.299 3.677 ( 0.000 -4.103 0.000) 4.103 3.733 ( -0.000 11.843 -0.000) 11.843 3.805 ( -0.000 4.093 -0.000) 4.093 3.959 ( -0.000 2.699 -0.000) 2.699 4.015 ( -0.000 6.953 -0.000) 6.953 4.063 ( 0.000 -11.323 0.000) 11.323 4.304 ( 0.000 -0.270 0.000) 0.270 4.372 ( -0.000 6.720 -0.000) 6.720 4.523 ( 0.000 -6.046 0.000) 6.046 4.648 ( -0.000 7.128 -0.000) 7.128 4.716 ( 0.000 -11.742 0.000) 11.742 4.760 ( -0.000 4.624 -0.000) 4.624 4.955 ( 0.000 -1.388 0.000) 1.388 5.005 ( 0.000 -2.025 0.000) 2.025 5.048 ( -0.000 0.543 -0.000) 0.543 5.144 ( 0.000 -4.227 0.000) 4.227 5.207 ( -0.000 2.287 -0.000) 2.287 5.255 ( -0.000 2.261 -0.000) 2.261 5.360 ( -0.000 0.276 -0.000) 0.276 5.523 ( -0.000 5.179 -0.000) 5.179 5.701 ( 0.000 -4.349 0.000) 4.349 5.812 ( -0.000 1.325 -0.000) 1.325 5.822 ( 0.000 -4.512 0.000) 4.512 5.940 ( -0.000 1.494 -0.000) 1.494 5.949 ( 0.000 -1.691 0.000) 1.691 6.061 ( 0.000 -1.143 0.000) 1.143 6.208 ( -0.000 13.879 -0.000) 13.879 6.210 ( 0.000 -14.349 0.000) 14.349 6.449 ( -0.000 16.007 -0.000) 16.007 6.569 ( 0.000 -1.431 0.000) 1.431 6.704 ( -0.000 4.220 -0.000) 4.220 6.966 ( 0.000 -1.474 0.000) 1.474 7.353 ( 0.000 -3.315 0.000) 3.315 7.572 ( -0.000 2.169 -0.000) 2.169 7.658 ( 0.000 -14.475 0.000) 14.475 7.736 ( 0.000 -6.038 0.000) 6.038 7.766 ( 0.000 -0.403 0.000) 0.403 7.934 ( 0.000 -0.709 0.000) 0.709 8.089 ( 0.000 -11.861 0.000) 11.861 8.484 ( -0.000 10.688 -0.000) 10.688 10.025 ( -0.000 1.213 -0.000) 1.213 10.117 ( -0.000 8.736 -0.000) 8.736 10.308 ( 0.000 -2.477 0.000) 2.477 10.325 ( 0.000 -2.562 0.000) 2.562 10.420 ( -0.000 2.612 -0.000) 2.612 10.515 ( -0.000 2.252 -0.000) 2.252 10.659 ( 0.000 -0.855 0.000) 0.855 10.686 ( 0.000 -1.171 0.000) 1.171 10.949 ( -0.000 2.553 -0.000) 2.553 11.057 ( 0.000 -0.866 0.000) 0.866 11.130 ( 0.000 -2.115 0.000) 2.115 11.532 ( 0.000 -9.099 0.000) 9.099 11.945 ( -0.000 0.498 -0.000) 0.498 12.045 ( -0.000 3.141 -0.000) 3.141 12.144 ( 0.000 -2.795 0.000) 2.795 12.180 ( -0.000 2.521 -0.000) 2.521 12.323 ( 0.000 -4.494 0.000) 4.494 12.468 ( -0.000 3.072 -0.000) 3.072 12.676 ( 0.000 -1.671 0.000) 1.671 12.677 ( 0.000 -3.162 0.000) 3.162 12.711 ( -0.000 0.091 -0.000) 0.091 12.792 ( -0.000 2.786 -0.000) 2.786 12.945 ( 0.000 -1.568 0.000) 1.568 12.996 ( -0.000 1.783 -0.000) 1.783 13.249 ( 0.000 -3.505 0.000) 3.505 13.280 ( -0.000 2.627 -0.000) 2.627 13.401 ( 0.000 -1.946 0.000) 1.946 13.436 ( 0.000 -0.031 0.000) 0.031 ======================= Grid point 23 (13/97) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 0.000 0.000 0.001) 0.001 1.500 ( 0.007 0.000 0.014) 0.015 1.660 ( 0.002 0.000 -0.002) 0.003 1.823 ( 0.001 0.000 0.001) 0.001 1.936 ( -0.005 -0.000 -0.000) 0.005 1.954 ( 0.001 0.000 0.003) 0.003 2.353 ( 0.003 0.000 0.001) 0.003 2.382 ( 0.009 0.000 0.004) 0.010 2.645 ( 0.000 0.000 0.001) 0.001 2.741 ( 0.000 0.000 0.001) 0.001 2.893 ( 0.001 0.000 0.003) 0.003 2.910 ( -0.001 -0.000 0.001) 0.001 3.130 ( -0.002 -0.000 0.000) 0.002 3.298 ( 0.001 0.000 -0.000) 0.001 3.503 ( -0.000 -0.000 0.001) 0.001 3.575 ( 0.002 0.000 -0.002) 0.002 3.601 ( 0.002 0.000 0.004) 0.004 3.782 ( 0.000 0.000 -0.000) 0.000 3.968 ( -0.000 -0.000 0.001) 0.001 4.094 ( -0.000 -0.000 0.000) 0.001 4.123 ( -0.001 -0.000 0.001) 0.001 4.215 ( 0.006 0.000 0.020) 0.021 4.282 ( 0.006 0.000 -0.013) 0.014 4.309 ( 0.000 0.000 0.000) 0.000 4.484 ( -0.002 -0.000 -0.010) 0.010 4.790 ( -0.002 -0.000 0.013) 0.014 4.797 ( 0.000 0.000 0.000) 0.000 4.813 ( 0.006 0.000 -0.010) 0.012 4.960 ( 0.001 0.000 0.002) 0.003 4.965 ( 0.000 0.000 0.001) 0.001 5.067 ( 0.003 0.000 0.001) 0.003 5.110 ( -0.000 -0.000 0.000) 0.000 5.176 ( 0.001 0.000 -0.001) 0.001 5.287 ( -0.000 -0.000 0.000) 0.000 5.381 ( -0.001 -0.000 0.008) 0.008 5.624 ( 0.001 0.000 0.000) 0.001 5.672 ( 0.004 0.000 0.001) 0.004 5.769 ( 0.001 0.000 -0.010) 0.010 5.775 ( -0.000 -0.000 0.000) 0.000 5.847 ( -0.002 -0.000 0.007) 0.007 5.892 ( 0.000 0.000 0.000) 0.000 5.982 ( 0.006 0.000 0.001) 0.006 6.085 ( 0.000 0.000 0.001) 0.001 6.452 ( 0.014 0.000 0.000) 0.014 6.538 ( -0.012 -0.000 0.007) 0.014 6.767 ( 0.000 0.000 0.000) 0.000 6.865 ( 0.000 0.000 0.000) 0.000 6.882 ( 0.002 0.000 -0.001) 0.002 7.335 ( 0.002 0.000 -0.000) 0.002 7.339 ( 0.001 0.000 0.000) 0.001 7.426 ( 0.001 0.000 -0.000) 0.001 7.781 ( 0.000 0.000 0.000) 0.000 7.782 ( 0.004 0.000 -0.000) 0.004 7.832 ( -0.003 -0.000 0.001) 0.003 7.864 ( 0.000 0.000 -0.000) 0.000 8.635 ( 0.000 0.000 0.000) 0.000 10.061 ( 0.000 0.000 0.000) 0.000 10.268 ( -0.000 -0.000 0.000) 0.000 10.294 ( -0.000 -0.000 0.000) 0.000 10.353 ( 0.000 0.000 -0.000) 0.000 10.376 ( 0.001 0.000 0.001) 0.001 10.549 ( 0.000 0.000 0.000) 0.000 10.651 ( 0.000 0.000 0.000) 0.000 10.656 ( 0.000 0.000 0.000) 0.000 11.015 ( 0.002 0.000 0.002) 0.003 11.068 ( 0.000 0.000 0.000) 0.000 11.088 ( -0.000 -0.000 -0.001) 0.001 11.348 ( -0.000 -0.000 0.000) 0.000 11.983 ( 0.000 0.000 0.000) 0.000 12.077 ( -0.000 -0.000 -0.001) 0.001 12.113 ( 0.000 0.000 0.000) 0.000 12.174 ( 0.001 0.000 0.001) 0.002 12.282 ( 0.002 0.000 0.001) 0.002 12.549 ( 0.000 0.000 -0.000) 0.000 12.583 ( 0.000 0.000 0.000) 0.000 12.648 ( -0.000 -0.000 0.000) 0.000 12.723 ( -0.000 -0.000 0.000) 0.000 12.841 ( 0.001 0.000 -0.000) 0.001 12.921 ( 0.001 0.000 -0.000) 0.001 13.026 ( 0.000 0.000 0.000) 0.000 13.183 ( 0.001 0.000 -0.000) 0.001 13.343 ( 0.000 0.000 0.001) 0.001 13.344 ( 0.000 0.000 0.000) 0.000 13.431 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 39 (14/97) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 97 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.453 ( -0.075 -0.000 21.638) 21.638 0.570 ( 18.185 0.000 26.938) 32.502 0.969 ( -24.775 -0.000 45.274) 51.610 1.985 ( 3.444 0.000 -3.823) 5.145 2.137 ( -4.744 -0.000 7.667) 9.016 2.218 ( 0.417 0.000 6.611) 6.624 2.368 ( -2.493 -0.000 -1.213) 2.772 2.650 ( -1.138 -0.000 0.132) 1.145 2.689 ( -0.458 -0.000 1.147) 1.235 2.827 ( -3.864 -0.000 2.390) 4.543 2.877 ( -3.703 -0.000 2.816) 4.652 3.073 ( -3.968 -0.000 1.195) 4.144 3.243 ( 3.729 0.000 0.737) 3.801 3.398 ( 3.735 0.000 -0.594) 3.782 3.415 ( -3.097 -0.000 3.652) 4.788 3.552 ( 1.018 0.000 0.265) 1.052 3.644 ( -4.634 -0.000 -2.896) 5.464 3.695 ( 4.220 0.000 -2.199) 4.758 3.792 ( 3.829 0.000 -0.651) 3.884 3.834 ( -1.427 -0.000 -0.075) 1.429 4.039 ( 3.095 0.000 1.760) 3.560 4.108 ( -5.104 -0.000 0.556) 5.134 4.220 ( 0.776 0.000 6.238) 6.286 4.255 ( 0.624 0.000 -2.893) 2.960 4.391 ( 3.778 0.000 -13.039) 13.575 4.401 ( 4.040 0.000 1.772) 4.411 4.619 ( 2.468 0.000 1.478) 2.877 4.742 ( 2.997 0.000 -6.923) 7.544 5.030 ( -2.089 -0.000 -1.913) 2.833 5.118 ( -4.241 -0.000 -3.444) 5.463 5.153 ( -1.521 -0.000 2.577) 2.993 5.197 ( 0.861 0.000 0.645) 1.076 5.326 ( 0.808 0.000 4.581) 4.652 5.349 ( 2.937 0.000 -3.232) 4.367 5.530 ( 0.798 0.000 0.018) 0.798 5.552 ( -4.532 -0.000 -0.390) 4.548 5.569 ( -5.711 -0.000 5.181) 7.711 5.746 ( -0.268 -0.000 1.557) 1.580 5.790 ( 0.532 0.000 0.381) 0.654 5.918 ( 0.254 0.000 -6.234) 6.239 6.016 ( -0.138 -0.000 -5.988) 5.990 6.074 ( 1.005 0.000 -2.371) 2.575 6.342 ( -2.488 -0.000 5.732) 6.249 6.465 ( 2.569 0.000 -3.242) 4.136 6.529 ( 4.005 0.000 -3.132) 5.084 6.708 ( -1.341 -0.000 2.607) 2.931 6.751 ( 5.303 0.000 -3.690) 6.460 6.902 ( -6.308 -0.000 3.199) 7.073 7.184 ( 0.441 0.000 0.963) 1.059 7.248 ( -2.345 -0.000 -0.416) 2.382 7.485 ( -0.220 -0.000 -0.160) 0.272 7.688 ( 3.629 0.000 -1.405) 3.892 7.707 ( -2.624 -0.000 2.609) 3.700 7.821 ( -1.289 -0.000 -1.492) 1.972 8.106 ( 0.914 0.000 0.941) 1.312 8.572 ( 0.397 0.000 -1.771) 1.815 9.944 ( 0.587 0.000 0.778) 0.975 10.212 ( -0.371 -0.000 -0.770) 0.854 10.326 ( -0.129 -0.000 -3.429) 3.431 10.384 ( 0.253 0.000 -0.066) 0.261 10.423 ( -0.336 -0.000 0.043) 0.338 10.462 ( 1.989 0.000 1.798) 2.681 10.671 ( -0.195 -0.000 -0.147) 0.245 10.683 ( 0.864 0.000 -0.392) 0.949 10.986 ( -0.479 -0.000 0.327) 0.580 11.113 ( -0.132 -0.000 0.509) 0.526 11.118 ( 0.212 0.000 0.451) 0.498 11.700 ( -2.539 -0.000 -4.019) 4.754 11.906 ( -1.796 -0.000 0.761) 1.950 11.989 ( 0.370 0.000 0.639) 0.738 12.123 ( -0.548 -0.000 0.054) 0.550 12.254 ( 0.359 0.000 -1.564) 1.605 12.368 ( -0.705 -0.000 0.380) 0.801 12.545 ( 0.096 0.000 -1.530) 1.533 12.546 ( 0.708 0.000 -1.096) 1.304 12.667 ( 1.319 0.000 -1.728) 2.173 12.709 ( 2.010 0.000 -4.378) 4.818 12.870 ( 0.805 0.000 2.678) 2.797 12.917 ( 0.959 0.000 -0.766) 1.228 13.020 ( -0.221 -0.000 -0.260) 0.342 13.077 ( 0.511 0.000 -1.413) 1.502 13.312 ( 1.793 0.000 -3.302) 3.757 13.394 ( 0.372 0.000 -2.375) 2.404 13.445 ( 1.209 0.000 -1.924) 2.272 ======================= Grid point 40 (15/97) ======================= q-point: ( 0.17 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( 0.881 -10.504 21.992) 24.387 0.928 ( 15.167 -8.150 22.891) 28.644 1.424 ( 6.497 -40.309 25.335) 48.051 1.921 ( -4.180 7.009 2.876) 8.652 2.143 ( -3.498 -2.656 2.842) 5.232 2.309 ( -0.711 -5.980 6.749) 9.045 2.344 ( -4.510 -2.334 -0.542) 5.107 2.574 ( -2.169 7.800 -2.099) 8.364 2.693 ( -3.771 4.025 -1.842) 5.815 2.716 ( 0.259 1.014 2.511) 2.720 2.837 ( -3.389 -0.880 3.420) 4.895 3.103 ( -7.319 -8.763 1.603) 11.529 3.228 ( 2.841 11.511 -0.552) 11.869 3.275 ( -1.283 10.764 6.164) 12.470 3.440 ( 4.886 -0.590 1.313) 5.094 3.570 ( -1.601 -1.307 -2.333) 3.117 3.615 ( -2.121 -2.285 -1.299) 3.377 3.766 ( 1.226 -1.211 0.023) 1.724 3.830 ( 2.609 -0.431 -1.459) 3.020 3.923 ( -3.173 -4.542 0.087) 5.541 4.022 ( 4.591 1.245 -0.240) 4.762 4.124 ( 4.343 1.243 0.379) 4.533 4.208 ( 0.219 0.196 -1.714) 1.739 4.292 ( 0.961 -1.214 4.114) 4.396 4.375 ( 3.588 -3.367 -7.070) 8.614 4.465 ( 3.556 1.137 -2.649) 4.577 4.643 ( 3.915 3.759 1.871) 5.741 4.763 ( 1.989 -3.598 -4.072) 5.786 4.990 ( -2.640 0.562 -2.033) 3.379 5.028 ( -4.767 3.442 -4.619) 7.477 5.102 ( -1.661 3.639 1.319) 4.212 5.212 ( 1.262 1.166 1.110) 2.045 5.310 ( 1.219 5.636 -3.293) 6.640 5.359 ( -2.510 -0.668 1.342) 2.924 5.429 ( -1.814 5.597 1.077) 5.982 5.530 ( -0.200 -1.345 -1.885) 2.324 5.566 ( -2.713 -0.531 3.490) 4.452 5.728 ( -2.524 -1.129 -0.155) 2.770 5.879 ( 2.479 -7.333 0.794) 7.781 5.905 ( -1.222 -4.219 -4.847) 6.541 5.961 ( 0.270 3.095 -5.179) 6.039 6.067 ( 3.683 2.650 -2.684) 5.272 6.308 ( -2.336 3.892 2.781) 5.324 6.413 ( 4.139 9.448 -2.379) 10.586 6.563 ( -0.945 11.832 -1.886) 12.019 6.594 ( 3.251 0.189 -1.399) 3.544 6.746 ( -3.050 3.971 5.908) 7.744 6.893 ( -1.490 -4.984 1.383) 5.383 7.239 ( -0.968 -3.854 -0.004) 3.974 7.350 ( 1.990 -15.344 -1.077) 15.510 7.524 ( -0.557 -6.956 -0.043) 6.979 7.655 ( -0.342 3.302 0.802) 3.416 7.800 ( 1.553 -8.287 0.070) 8.431 7.861 ( -0.530 -6.203 -1.083) 6.319 8.120 ( -1.048 -1.618 1.198) 2.270 8.529 ( 1.461 6.360 -1.773) 6.762 9.965 ( 1.226 -0.531 0.883) 1.602 10.173 ( 0.783 5.095 -0.162) 5.158 10.302 ( -0.757 -0.178 -3.300) 3.390 10.390 ( -1.378 0.271 -1.019) 1.735 10.412 ( 1.049 0.331 -0.358) 1.157 10.492 ( 1.703 0.699 2.128) 2.814 10.667 ( -0.141 -0.279 -0.438) 0.538 10.697 ( 0.524 -0.507 0.112) 0.738 10.963 ( -0.651 2.155 1.237) 2.569 11.105 ( -0.399 -0.084 -0.312) 0.514 11.142 ( -0.335 -1.160 0.248) 1.233 11.625 ( -4.743 -0.383 -5.252) 7.087 11.913 ( 0.717 -1.634 1.426) 2.284 12.010 ( 0.760 -0.652 0.632) 1.184 12.106 ( -0.609 0.915 0.237) 1.124 12.238 ( 0.012 1.312 -1.811) 2.236 12.364 ( -1.492 -1.186 0.330) 1.934 12.500 ( 0.369 3.447 -1.105) 3.638 12.588 ( 1.053 -2.828 -2.694) 4.045 12.669 ( 0.848 0.151 -2.270) 2.428 12.704 ( 1.042 -0.135 -3.311) 3.474 12.857 ( 0.001 3.239 2.171) 3.899 12.933 ( 0.163 -1.150 0.146) 1.170 13.005 ( -0.043 1.102 -0.462) 1.195 13.138 ( 1.935 -4.421 -2.669) 5.515 13.312 ( 1.527 0.505 -2.992) 3.397 13.396 ( 0.956 -0.760 -3.035) 3.272 13.426 ( -0.469 1.113 -1.423) 1.866 ======================= Grid point 41 (16/97) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( 3.558 -11.789 17.544) 21.434 1.413 ( 22.823 -12.327 12.676) 28.871 1.738 ( -10.519 8.661 6.566) 15.125 2.089 ( -18.674 5.838 1.424) 19.618 2.137 ( 3.249 -16.395 0.184) 16.715 2.194 ( 0.064 -16.655 6.604) 17.916 2.488 ( -3.897 -15.970 8.628) 18.566 2.521 ( -1.283 -4.707 4.030) 6.328 2.625 ( 5.359 2.558 -7.747) 9.761 2.749 ( -0.831 -0.677 5.228) 5.336 2.833 ( -0.423 0.013 1.827) 1.875 3.033 ( -2.084 13.116 2.258) 13.471 3.138 ( -7.479 -5.565 2.605) 9.679 3.182 ( 3.883 11.670 4.251) 13.013 3.488 ( -0.599 0.630 0.464) 0.985 3.578 ( 2.127 7.047 2.704) 7.842 3.610 ( -2.761 1.117 -1.357) 3.273 3.680 ( -0.133 11.269 4.495) 12.133 3.781 ( -0.655 2.194 0.520) 2.348 3.914 ( -1.248 11.167 -0.817) 11.266 4.006 ( 2.493 -10.667 -4.683) 11.914 4.158 ( 0.823 2.660 -2.295) 3.608 4.273 ( 1.766 -2.471 1.103) 3.231 4.340 ( 1.092 -6.240 -5.653) 8.490 4.416 ( 2.546 3.560 -3.803) 5.799 4.508 ( 4.830 -6.965 0.734) 8.508 4.652 ( 3.322 2.588 1.610) 4.509 4.801 ( -2.503 0.784 -3.279) 4.199 4.905 ( 0.091 -1.097 -1.365) 1.754 4.968 ( -1.958 -3.054 -1.910) 4.100 5.064 ( 1.444 3.076 -1.688) 3.794 5.201 ( -0.695 5.938 -0.272) 5.985 5.222 ( 2.593 2.992 -0.179) 3.964 5.293 ( -4.694 1.086 -1.068) 4.935 5.413 ( 0.329 -0.260 -0.149) 0.445 5.514 ( -5.057 0.518 1.807) 5.396 5.587 ( 0.962 -5.244 -2.351) 5.827 5.744 ( 0.292 -3.065 -0.273) 3.091 5.882 ( -1.643 -0.061 -3.590) 3.949 5.954 ( 1.373 -3.699 -1.183) 4.119 6.034 ( 4.033 -5.316 0.024) 6.673 6.048 ( 2.410 2.138 -1.174) 3.429 6.190 ( -0.479 14.509 -0.853) 14.541 6.321 ( 2.692 7.081 1.129) 7.660 6.403 ( -0.518 5.259 -3.165) 6.160 6.608 ( -0.380 0.732 0.126) 0.834 6.735 ( -0.087 -0.107 5.360) 5.362 6.894 ( -5.209 0.762 1.290) 5.420 7.308 ( 0.846 -5.898 -1.599) 6.169 7.504 ( 3.311 -0.225 -2.894) 4.404 7.608 ( 0.920 -10.292 -0.386) 10.341 7.730 ( 0.255 -10.594 0.600) 10.614 7.855 ( -1.695 -2.361 -0.154) 2.910 7.937 ( 0.604 -1.483 0.637) 1.724 8.151 ( -2.325 -5.695 0.341) 6.161 8.433 ( 2.287 9.316 -1.215) 9.670 9.993 ( 0.941 -1.162 0.824) 1.708 10.104 ( 0.427 6.135 0.301) 6.157 10.289 ( -0.066 -1.264 -2.385) 2.701 10.360 ( -1.312 0.212 -0.659) 1.484 10.409 ( 1.244 1.828 -2.149) 3.084 10.506 ( 1.351 1.488 2.084) 2.895 10.670 ( -0.203 -0.762 -0.594) 0.987 10.702 ( -0.003 0.340 0.267) 0.432 10.947 ( -0.352 0.667 1.865) 2.012 11.096 ( -0.631 0.392 -0.209) 0.772 11.135 ( -1.196 0.050 -0.508) 1.300 11.577 ( -1.925 -2.609 -3.887) 5.062 11.955 ( 0.262 -2.160 0.909) 2.358 12.012 ( 0.441 2.032 0.783) 2.222 12.111 ( 0.332 -1.867 0.283) 1.917 12.204 ( -0.117 2.117 -1.516) 2.607 12.372 ( -1.538 -2.554 0.092) 2.983 12.452 ( 0.480 3.711 -0.473) 3.772 12.615 ( 1.699 -1.544 -3.842) 4.475 12.654 ( 1.374 1.182 -4.108) 4.490 12.718 ( 0.001 -2.469 -0.488) 2.517 12.820 ( -0.506 3.335 1.452) 3.673 12.953 ( -0.208 -1.583 0.474) 1.666 12.986 ( 0.090 1.375 -0.362) 1.425 13.194 ( 1.586 -3.010 -1.854) 3.874 13.299 ( 1.043 1.713 -2.465) 3.177 13.397 ( 1.199 0.136 -3.194) 3.414 13.406 ( -0.110 -0.099 -1.703) 1.710 ======================= Grid point 42 (17/97) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 2.720 -4.720 11.247) 12.497 1.508 ( -8.384 7.314 2.637) 11.434 1.638 ( -25.575 9.667 4.137) 27.653 1.922 ( 17.256 -10.732 8.977) 22.216 2.169 ( -3.493 -2.834 2.378) 5.088 2.432 ( 1.816 0.430 -5.198) 5.523 2.515 ( 2.104 0.144 0.001) 2.109 2.688 ( 3.367 -1.201 -0.673) 3.637 2.753 ( -3.979 -0.687 6.299) 7.482 2.784 ( -1.089 17.354 1.988) 17.501 2.847 ( -0.554 1.901 5.142) 5.510 2.920 ( -8.409 -23.698 5.661) 25.775 3.051 ( -2.583 16.467 4.215) 17.193 3.131 ( -4.367 -0.626 6.875) 8.168 3.243 ( 0.918 2.364 1.480) 2.937 3.521 ( -1.531 -2.490 0.528) 2.970 3.630 ( -0.160 -0.922 1.222) 1.539 3.708 ( 3.629 1.053 1.606) 4.106 3.778 ( 0.601 -0.590 1.988) 2.159 3.819 ( 0.362 1.408 0.916) 1.718 4.059 ( -4.050 2.833 -4.862) 6.933 4.141 ( 3.248 -6.341 -5.167) 8.800 4.265 ( 0.866 2.376 -4.771) 5.400 4.364 ( -0.390 1.994 1.874) 2.764 4.445 ( 5.878 0.095 -7.981) 9.913 4.600 ( 0.991 1.809 2.541) 3.273 4.676 ( 1.511 -1.968 -0.056) 2.481 4.707 ( -1.718 2.469 -2.097) 3.667 4.955 ( 1.263 2.328 -0.626) 2.722 5.018 ( 4.846 -3.575 -3.573) 7.002 5.050 ( -1.373 -5.080 -1.351) 5.433 5.132 ( -0.289 1.271 1.623) 2.082 5.215 ( -2.131 0.175 0.641) 2.232 5.272 ( 1.978 -1.347 1.165) 2.662 5.416 ( -1.239 -2.325 -1.605) 3.085 5.463 ( -4.551 -0.871 1.567) 4.891 5.650 ( 2.951 -1.876 -3.071) 4.654 5.795 ( 1.006 -1.517 0.496) 1.887 5.904 ( 0.896 -6.131 -0.794) 6.247 5.977 ( 0.665 9.951 -2.634) 10.315 5.986 ( 1.621 4.371 -0.115) 4.664 6.031 ( -0.914 -2.523 -1.233) 2.953 6.166 ( -0.012 -2.358 0.664) 2.449 6.237 ( -3.258 -1.110 2.027) 3.994 6.417 ( 7.484 -0.550 -4.704) 8.857 6.574 ( -2.133 2.265 0.641) 3.177 6.760 ( -4.593 0.448 2.766) 5.380 6.818 ( -0.447 0.448 1.880) 1.984 7.358 ( 2.469 0.970 -1.979) 3.309 7.508 ( 0.859 -0.887 -3.168) 3.400 7.744 ( 0.792 -3.364 1.499) 3.767 7.794 ( -0.793 -1.524 -0.250) 1.736 7.881 ( 0.029 9.240 -0.453) 9.251 7.907 ( -0.491 -5.274 0.115) 5.298 8.190 ( 0.634 0.830 -0.068) 1.047 8.364 ( -0.247 -0.342 -0.746) 0.857 10.020 ( -0.113 1.661 0.458) 1.727 10.043 ( -0.443 -0.630 0.179) 0.791 10.311 ( 0.969 -2.272 -1.270) 2.778 10.354 ( 0.236 -0.423 0.232) 0.537 10.380 ( 0.515 1.003 -3.166) 3.361 10.502 ( -0.023 1.849 0.858) 2.038 10.677 ( -0.060 -0.977 -0.761) 1.240 10.694 ( -0.043 0.914 0.330) 0.973 10.936 ( -0.853 1.270 1.018) 1.838 11.091 ( -0.508 -1.161 0.536) 1.376 11.129 ( 0.439 -0.149 -0.447) 0.644 11.602 ( 1.551 -3.022 -1.461) 3.698 11.980 ( -1.252 -1.724 0.576) 2.207 11.992 ( 0.498 1.856 0.966) 2.151 12.137 ( 0.109 0.566 -0.108) 0.587 12.179 ( 0.282 -0.927 -0.791) 1.251 12.397 ( -0.554 -2.347 -0.135) 2.416 12.414 ( 0.638 1.829 0.029) 1.937 12.625 ( 2.008 0.492 -4.601) 5.044 12.643 ( 1.736 -0.685 -3.918) 4.339 12.756 ( 0.112 -2.852 0.296) 2.870 12.774 ( -0.637 3.251 0.819) 3.412 12.962 ( 0.093 1.388 0.019) 1.391 12.979 ( -0.305 -1.511 0.231) 1.559 13.226 ( 0.804 0.318 -1.888) 2.076 13.277 ( 1.169 0.241 -2.136) 2.447 13.391 ( 1.722 0.538 -2.986) 3.489 13.406 ( 0.423 -0.809 -2.019) 2.215 ======================= Grid point 43 (18/97) ======================= q-point: (-0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -21.398 16.148 -2.909) 26.964 1.209 ( -26.449 13.014 14.391) 32.803 1.624 ( 9.256 -8.609 3.318) 13.069 2.025 ( -9.530 45.318 11.048) 47.609 2.178 ( -4.312 -3.284 3.307) 6.349 2.323 ( 11.111 -7.210 -0.404) 13.252 2.430 ( 0.636 12.963 6.011) 14.303 2.558 ( -4.452 1.304 6.528) 8.009 2.687 ( 0.056 2.102 0.715) 2.220 2.774 ( -2.138 1.331 -1.444) 2.903 2.853 ( -2.099 -3.748 3.361) 5.454 2.950 ( -1.062 -7.648 5.193) 9.305 3.058 ( -0.285 -5.014 -0.572) 5.054 3.200 ( 2.031 -2.905 2.601) 4.397 3.416 ( -3.266 -10.331 -2.055) 11.028 3.572 ( -0.914 -4.529 2.205) 5.120 3.638 ( -0.297 -5.611 1.553) 5.830 3.724 ( 2.551 3.134 2.894) 4.970 3.796 ( 2.911 2.566 0.949) 3.995 3.878 ( -0.285 -7.479 -3.569) 8.292 3.979 ( -1.276 1.516 -0.852) 2.157 4.172 ( 2.175 4.378 0.515) 4.916 4.216 ( -1.492 1.112 -3.257) 3.751 4.336 ( -0.948 1.778 -0.178) 2.023 4.398 ( 3.340 4.307 -7.592) 9.346 4.518 ( -1.233 8.757 -4.391) 9.873 4.663 ( -1.976 -1.668 -3.518) 4.366 4.730 ( 5.034 1.249 -3.263) 6.127 4.979 ( 2.637 -2.561 6.341) 7.329 5.075 ( 0.690 -3.056 -1.928) 3.678 5.102 ( -0.619 -3.574 -1.312) 3.857 5.175 ( 1.158 -2.665 3.412) 4.481 5.205 ( -2.582 -4.079 -1.795) 5.151 5.347 ( 2.973 -2.683 1.386) 4.238 5.413 ( -4.492 -2.490 -0.856) 5.207 5.478 ( 0.790 -3.429 2.656) 4.409 5.688 ( 3.819 0.839 0.082) 3.911 5.733 ( -1.575 6.842 0.493) 7.039 5.926 ( 2.107 -0.438 -2.094) 3.003 5.967 ( -1.977 4.052 -1.763) 4.841 5.993 ( -0.407 -1.745 -0.811) 1.966 6.054 ( 1.523 -7.625 -1.462) 7.912 6.139 ( -0.837 -4.095 -0.525) 4.213 6.343 ( -3.570 -12.043 0.149) 12.562 6.481 ( 3.799 0.777 -0.069) 3.878 6.526 ( 2.146 1.179 -3.872) 4.582 6.697 ( -5.304 -1.817 3.228) 6.470 6.872 ( 3.286 -0.998 1.209) 3.641 7.322 ( 1.839 5.775 -1.309) 6.201 7.496 ( -0.542 2.561 -3.366) 4.264 7.691 ( -0.420 10.961 1.797) 11.115 7.705 ( -3.515 7.104 0.984) 7.987 7.835 ( 2.475 2.585 -1.502) 3.881 7.932 ( -0.119 0.546 0.698) 0.894 8.132 ( 2.949 8.216 -0.879) 8.773 8.436 ( -1.960 -10.370 -0.619) 10.572 9.974 ( -0.773 2.294 -0.014) 2.420 10.098 ( -0.834 -6.196 0.265) 6.257 10.349 ( 1.375 -1.990 -0.662) 2.508 10.356 ( 0.919 0.693 -1.445) 1.848 10.390 ( 0.976 -2.200 -0.801) 2.536 10.466 ( -1.211 1.990 -0.635) 2.414 10.680 ( 0.278 0.559 -0.510) 0.806 10.687 ( 0.038 -0.089 -0.123) 0.156 10.926 ( -0.262 -0.559 1.510) 1.632 11.109 ( -0.206 -1.346 0.144) 1.369 11.135 ( 1.039 0.723 -0.082) 1.268 11.661 ( 3.131 -1.802 -0.415) 3.636 11.964 ( -1.342 1.307 0.523) 1.945 11.999 ( -0.643 -1.083 0.237) 1.282 12.112 ( -0.481 1.127 0.453) 1.307 12.214 ( 0.712 -2.638 -0.865) 2.866 12.386 ( 1.003 2.201 0.447) 2.460 12.450 ( 0.052 -4.038 -0.457) 4.064 12.613 ( 1.751 1.099 -3.833) 4.355 12.659 ( 2.109 -0.931 -4.169) 4.764 12.729 ( -0.052 2.764 0.010) 2.764 12.798 ( -0.009 -2.742 0.813) 2.860 12.941 ( 0.339 1.797 -0.119) 1.833 12.999 ( -0.413 -1.670 0.134) 1.726 13.187 ( 0.348 3.594 -2.104) 4.180 13.295 ( 1.470 -1.135 -2.545) 3.151 13.397 ( 2.041 -0.215 -2.139) 2.965 13.411 ( 0.802 -0.492 -2.433) 2.608 ======================= Grid point 44 (19/97) ======================= q-point: (-0.17 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.486 ( -20.650 15.416 3.553) 26.013 0.788 ( -16.908 23.723 15.596) 33.044 1.327 ( -21.682 37.698 31.553) 53.729 1.863 ( 7.329 -7.897 0.419) 10.782 2.193 ( -3.255 -2.479 4.465) 6.056 2.239 ( 0.174 12.809 2.760) 13.104 2.445 ( -4.842 5.108 1.762) 7.255 2.596 ( 0.499 -10.502 0.009) 10.514 2.682 ( -0.520 0.344 2.848) 2.915 2.792 ( -0.699 -5.819 3.039) 6.602 2.864 ( -3.955 -0.679 3.890) 5.589 3.114 ( 4.869 -6.290 1.916) 8.181 3.134 ( 4.915 -0.161 0.118) 4.919 3.285 ( 1.706 -5.722 1.261) 6.103 3.394 ( -7.166 -4.064 0.040) 8.238 3.588 ( 0.405 0.500 -0.303) 0.711 3.687 ( 0.371 2.813 -1.088) 3.039 3.730 ( 2.788 4.812 -0.996) 5.650 3.816 ( 2.442 -1.561 -0.960) 3.053 3.891 ( 0.933 9.306 -1.168) 9.425 3.977 ( -0.813 -6.397 -0.287) 6.454 4.140 ( -4.762 -1.057 2.690) 5.570 4.184 ( 0.812 0.928 2.628) 2.903 4.286 ( -1.042 2.021 -2.528) 3.400 4.350 ( 1.896 1.193 -2.885) 3.652 4.439 ( 3.546 1.855 -8.524) 9.417 4.611 ( -1.270 1.133 -1.604) 2.339 4.747 ( 4.756 1.318 -7.276) 8.792 5.063 ( -2.006 -0.504 1.636) 2.637 5.109 ( 0.796 -4.243 0.851) 4.400 5.150 ( 0.882 -3.781 1.625) 4.209 5.170 ( -2.744 -0.851 -1.697) 3.337 5.295 ( 1.906 -4.999 -0.109) 5.351 5.340 ( 0.050 3.925 0.255) 3.934 5.459 ( 1.401 -5.324 1.004) 5.596 5.552 ( -2.648 -5.108 4.592) 7.361 5.627 ( -5.939 1.387 1.380) 6.253 5.739 ( 4.371 2.074 1.406) 5.039 5.841 ( -4.027 4.456 -0.070) 6.007 5.941 ( 2.837 1.223 -4.365) 5.348 6.041 ( 0.187 -2.082 -3.091) 3.731 6.063 ( -0.835 -1.515 -3.212) 3.648 6.273 ( 1.412 -7.930 3.199) 8.666 6.420 ( -2.794 -5.462 -1.284) 6.268 6.536 ( 3.737 0.564 -4.457) 5.844 6.556 ( 3.512 -9.082 -2.326) 10.011 6.731 ( -1.240 -4.095 3.809) 5.729 6.907 ( -0.745 -0.795 2.206) 2.460 7.267 ( -0.237 2.508 -0.103) 2.521 7.345 ( -0.290 15.434 -2.230) 15.597 7.526 ( 0.425 8.033 0.073) 8.044 7.683 ( -2.943 -2.674 1.755) 4.347 7.756 ( 2.586 9.138 -1.820) 9.670 7.893 ( -1.307 4.878 0.099) 5.051 8.092 ( 2.605 2.137 0.033) 3.369 8.536 ( -0.736 -6.773 -1.222) 6.922 9.946 ( -0.268 0.980 0.169) 1.030 10.176 ( -0.853 -6.151 -0.078) 6.210 10.346 ( 0.282 0.330 -3.079) 3.109 10.383 ( 1.430 -0.372 -0.305) 1.508 10.424 ( 0.659 0.018 -0.321) 0.734 10.434 ( 0.219 0.002 0.924) 0.949 10.672 ( 0.144 0.335 -0.426) 0.561 10.685 ( 0.341 0.631 -0.345) 0.796 10.960 ( 0.081 -2.810 1.252) 3.077 11.115 ( -0.197 0.152 -0.507) 0.565 11.129 ( 0.728 1.632 0.536) 1.866 11.708 ( 2.009 -1.029 -1.435) 2.675 11.927 ( -2.913 0.281 0.554) 2.978 11.996 ( -0.022 0.836 0.129) 0.846 12.115 ( -0.260 -1.284 0.389) 1.366 12.245 ( 0.617 -1.536 -1.200) 2.045 12.375 ( 0.417 1.130 0.493) 1.301 12.501 ( 0.427 -3.594 -0.873) 3.723 12.591 ( 1.147 2.426 -2.794) 3.874 12.665 ( 1.407 0.472 -2.294) 2.732 12.708 ( 1.315 0.387 -2.751) 3.073 12.836 ( -0.181 -2.055 1.799) 2.737 12.923 ( 0.721 1.516 -0.395) 1.725 13.014 ( -0.366 -1.216 -0.182) 1.283 13.128 ( 0.878 4.470 -2.386) 5.143 13.307 ( 1.694 -0.279 -3.159) 3.596 13.406 ( 0.611 0.251 -2.188) 2.286 13.423 ( 1.988 -1.075 -1.882) 2.941 ======================= Grid point 46 (20/97) ======================= q-point: ( 0.17 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 11.142 0.000 17.917) 21.099 0.957 ( -2.543 -0.000 34.163) 34.258 1.594 ( 28.788 0.000 18.860) 34.415 1.932 ( -5.478 -0.000 0.291) 5.486 2.071 ( -6.027 -0.000 9.322) 11.101 2.282 ( -3.692 -0.000 -5.329) 6.483 2.300 ( -2.701 -0.000 8.264) 8.694 2.606 ( -5.559 -0.000 -3.127) 6.378 2.622 ( -13.277 -0.000 1.246) 13.335 2.721 ( -2.003 -0.000 -1.432) 2.462 2.760 ( 1.609 0.000 1.996) 2.564 2.998 ( -1.860 -0.000 6.247) 6.518 3.367 ( -4.390 -0.000 6.498) 7.842 3.381 ( 5.340 0.000 -2.394) 5.852 3.408 ( -6.304 -0.000 -3.676) 7.297 3.540 ( 1.864 0.000 -1.257) 2.248 3.617 ( 2.640 0.000 3.272) 4.204 3.744 ( 1.108 0.000 -0.587) 1.254 3.849 ( 2.973 0.000 -0.052) 2.974 3.863 ( 5.204 0.000 -3.346) 6.186 4.037 ( -0.064 -0.000 -3.337) 3.338 4.198 ( 5.211 0.000 4.840) 7.112 4.262 ( 2.170 0.000 -3.130) 3.809 4.308 ( 1.818 0.000 -14.406) 14.520 4.334 ( 2.691 0.000 6.241) 6.797 4.569 ( 6.631 0.000 4.989) 8.298 4.739 ( 2.518 0.000 -2.630) 3.641 4.742 ( 3.833 0.000 2.864) 4.785 4.959 ( -1.855 -0.000 -1.624) 2.465 4.988 ( -1.986 -0.000 -5.276) 5.637 5.123 ( -1.849 -0.000 1.888) 2.643 5.209 ( -0.737 -0.000 -1.732) 1.882 5.322 ( -3.050 -0.000 -1.916) 3.602 5.357 ( -1.050 -0.000 0.445) 1.140 5.447 ( -1.860 -0.000 -5.602) 5.902 5.533 ( 4.270 0.000 -2.706) 5.055 5.542 ( -4.872 -0.000 4.027) 6.321 5.706 ( -1.781 -0.000 0.101) 1.784 5.791 ( -1.583 -0.000 -2.457) 2.923 5.828 ( -1.376 -0.000 -3.477) 3.740 5.986 ( 2.380 0.000 -2.871) 3.729 6.131 ( 5.875 0.000 -2.835) 6.523 6.305 ( -3.555 -0.000 3.504) 4.991 6.505 ( -7.159 -0.000 -0.949) 7.221 6.522 ( 3.186 0.000 -1.672) 3.598 6.742 ( 1.791 0.000 1.820) 2.553 6.765 ( -0.836 -0.000 -0.032) 0.836 6.842 ( 1.188 0.000 -0.334) 1.234 7.224 ( 1.537 0.000 0.969) 1.817 7.233 ( 2.155 0.000 1.656) 2.718 7.468 ( -0.818 -0.000 -0.682) 1.066 7.684 ( -1.355 -0.000 2.718) 3.037 7.749 ( 1.019 0.000 0.142) 1.029 7.807 ( 2.484 0.000 -1.857) 3.101 8.093 ( -3.253 -0.000 1.517) 3.589 8.580 ( 1.958 0.000 -2.439) 3.128 9.987 ( 1.917 0.000 1.320) 2.328 10.219 ( 1.339 0.000 -0.372) 1.390 10.274 ( -0.565 -0.000 -4.154) 4.192 10.382 ( -0.139 -0.000 -0.480) 0.500 10.408 ( -0.992 -0.000 0.894) 1.336 10.526 ( 1.378 0.000 2.117) 2.526 10.662 ( -0.291 -0.000 -0.251) 0.384 10.696 ( -0.021 -0.000 0.065) 0.068 10.980 ( 0.058 0.000 0.826) 0.828 11.098 ( -1.314 -0.000 0.010) 1.314 11.124 ( -0.478 -0.000 0.451) 0.657 11.518 ( -6.080 -0.000 -5.676) 8.317 11.926 ( 2.043 0.000 0.758) 2.179 12.019 ( 1.357 0.000 0.752) 1.552 12.107 ( -0.581 -0.000 0.112) 0.592 12.228 ( -0.838 -0.000 -2.460) 2.599 12.339 ( -1.878 -0.000 0.973) 2.115 12.537 ( 0.780 0.000 -1.796) 1.958 12.547 ( 0.325 0.000 -0.963) 1.016 12.664 ( 0.058 0.000 -1.610) 1.611 12.697 ( 1.104 0.000 -4.626) 4.756 12.906 ( -0.784 -0.000 1.961) 2.112 12.925 ( 0.124 0.000 -0.177) 0.216 13.016 ( 0.063 0.000 -0.249) 0.257 13.099 ( 2.522 0.000 -1.722) 3.054 13.316 ( 1.350 0.000 -2.894) 3.193 13.384 ( 1.253 0.000 -3.016) 3.266 13.410 ( -2.137 -0.000 -0.377) 2.170 ======================= Grid point 47 (21/97) ======================= q-point: ( 0.33 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 10.255 -3.138 19.481) 22.237 1.398 ( 6.639 -27.973 17.543) 33.680 1.772 ( -8.124 8.318 5.622) 12.915 1.990 ( 4.976 -3.233 4.587) 7.501 2.045 ( -12.153 8.405 -2.150) 14.932 2.173 ( 6.556 -1.050 9.834) 11.866 2.323 ( -6.932 -6.107 6.902) 11.532 2.428 ( -3.496 -2.539 -1.158) 4.473 2.656 ( -6.483 -10.733 0.185) 12.541 2.714 ( 1.050 0.814 -0.789) 1.545 2.833 ( 3.426 -2.281 2.932) 5.053 3.017 ( -2.542 -0.117 4.488) 5.160 3.226 ( -1.414 13.352 2.912) 13.738 3.311 ( -4.024 1.647 -0.848) 4.430 3.415 ( -1.123 -2.134 2.135) 3.221 3.559 ( 1.146 -1.078 -1.276) 2.026 3.683 ( 4.562 2.186 1.159) 5.190 3.779 ( 0.281 -3.402 -0.962) 3.547 3.858 ( 0.973 -3.249 -2.624) 4.289 3.927 ( 3.217 5.607 2.275) 6.853 4.077 ( 3.371 2.351 -5.415) 6.798 4.174 ( 2.279 -1.847 -7.972) 8.495 4.230 ( -0.411 5.558 1.611) 5.801 4.327 ( 0.060 0.169 -1.149) 1.163 4.431 ( 5.640 -5.457 2.414) 8.210 4.570 ( 3.510 10.535 4.075) 11.829 4.772 ( 3.494 4.230 2.542) 6.047 4.776 ( 0.363 -0.600 -2.072) 2.188 4.905 ( 0.012 2.132 -4.171) 4.684 4.926 ( -0.725 1.213 -0.708) 1.581 5.101 ( 0.892 1.814 -0.848) 2.192 5.201 ( -3.630 -0.848 0.109) 3.729 5.243 ( -2.349 0.509 -1.275) 2.720 5.301 ( 0.220 3.919 -4.165) 5.723 5.374 ( -3.792 0.351 -3.819) 5.393 5.490 ( -2.758 3.128 3.008) 5.141 5.581 ( 5.432 -0.498 -3.098) 6.274 5.710 ( 0.263 -2.327 0.597) 2.417 5.805 ( -1.260 -4.778 -1.769) 5.248 5.897 ( 0.164 -9.117 -1.841) 9.302 5.997 ( 2.408 -0.743 -0.572) 2.584 6.137 ( 1.459 4.661 -2.654) 5.559 6.285 ( 0.088 2.909 2.432) 3.793 6.378 ( -10.317 0.543 -0.443) 10.341 6.503 ( 2.061 8.080 -1.509) 8.474 6.647 ( 2.535 9.154 -1.987) 9.704 6.774 ( 1.188 0.631 2.366) 2.722 6.871 ( -1.579 -0.114 2.316) 2.805 7.259 ( 2.509 -2.559 -0.606) 3.634 7.397 ( 2.539 -13.471 -0.916) 13.739 7.506 ( -0.555 -7.815 -0.832) 7.879 7.680 ( 1.642 0.770 0.618) 1.916 7.790 ( -1.100 -3.797 -1.590) 4.261 7.884 ( 1.427 -6.555 1.846) 6.958 8.066 ( -4.354 -2.342 0.952) 5.035 8.554 ( 2.119 5.544 -2.123) 6.304 10.014 ( 1.689 0.598 1.052) 2.077 10.196 ( 1.153 5.474 -1.262) 5.735 10.260 ( 0.337 -1.392 -2.107) 2.548 10.346 ( -1.529 1.659 -0.340) 2.281 10.427 ( 0.536 -0.678 -0.501) 0.999 10.543 ( 0.565 0.807 1.338) 1.662 10.658 ( -0.259 -0.161 -0.341) 0.457 10.696 ( -0.831 -0.601 0.184) 1.041 10.974 ( 0.343 1.901 1.578) 2.494 11.089 ( -0.521 -0.385 -0.445) 0.786 11.112 ( -1.729 0.098 -0.367) 1.771 11.464 ( -3.333 -5.145 -3.929) 7.281 11.953 ( 1.089 -0.054 0.655) 1.272 12.041 ( 1.246 0.248 0.343) 1.316 12.102 ( 0.185 -0.223 0.217) 0.361 12.205 ( -0.734 0.013 -2.247) 2.364 12.328 ( -1.847 -0.944 0.987) 2.297 12.499 ( 0.479 3.183 -0.754) 3.306 12.584 ( 1.056 -2.844 -2.587) 3.987 12.657 ( 0.711 0.148 -3.252) 3.332 12.689 ( 0.368 -0.997 -2.173) 2.419 12.867 ( -0.976 3.628 1.724) 4.134 12.934 ( -0.277 -1.129 0.344) 1.213 13.004 ( 0.372 1.259 -0.320) 1.351 13.159 ( 1.906 -3.871 -1.908) 4.718 13.313 ( 0.916 0.721 -2.576) 2.827 13.384 ( -0.764 -0.417 -1.240) 1.515 13.393 ( 0.985 -0.622 -2.988) 3.208 ======================= Grid point 48 (22/97) ======================= q-point: (-0.50 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 9.975 -2.543 13.047) 16.619 1.531 ( -19.495 8.646 9.854) 23.493 1.576 ( -11.434 19.635 0.582) 22.729 1.943 ( 8.694 -20.165 6.988) 23.045 2.108 ( -0.399 -7.257 1.078) 7.347 2.355 ( 4.180 -5.169 -1.282) 6.770 2.408 ( -6.543 -17.441 5.268) 19.358 2.491 ( -6.922 -8.626 7.747) 13.503 2.705 ( 3.664 1.933 -3.282) 5.285 2.744 ( -1.791 -6.506 1.097) 6.837 2.898 ( 1.582 1.152 4.875) 5.253 2.962 ( -4.616 2.985 2.095) 5.883 3.092 ( -0.008 8.763 5.310) 10.247 3.275 ( 1.447 -0.173 -0.075) 1.460 3.455 ( -1.555 -2.011 2.405) 3.499 3.566 ( -0.738 12.548 -0.250) 12.572 3.689 ( 2.122 24.068 4.310) 24.543 3.694 ( 0.113 -2.036 0.587) 2.122 3.800 ( 0.825 2.260 0.439) 2.445 3.913 ( 0.964 5.576 -0.241) 5.664 3.996 ( 0.885 -6.057 -3.481) 7.042 4.089 ( -2.735 3.884 -2.152) 5.215 4.289 ( 0.875 3.103 -2.705) 4.208 4.326 ( 4.070 -8.825 -5.823) 11.330 4.465 ( 0.799 3.202 -0.042) 3.301 4.666 ( 5.502 -6.522 2.227) 8.819 4.681 ( -2.282 4.304 -0.889) 4.952 4.748 ( 1.591 5.423 -0.441) 5.669 4.921 ( -0.060 -2.827 -1.840) 3.373 4.964 ( 3.626 -3.550 -0.209) 5.079 5.090 ( 2.198 1.977 -3.014) 4.222 5.127 ( -3.844 -0.499 -0.032) 3.876 5.218 ( -0.589 4.139 -1.408) 4.412 5.292 ( -6.031 -2.326 -4.186) 7.701 5.324 ( 4.926 -1.055 2.072) 5.448 5.442 ( -0.900 1.692 1.075) 2.197 5.649 ( 5.124 -2.947 -3.206) 6.725 5.759 ( 0.116 -3.795 0.081) 3.798 5.851 ( 0.707 -2.245 0.612) 2.432 5.961 ( 0.530 -4.041 -1.468) 4.332 6.017 ( -4.083 2.277 -1.872) 5.036 6.096 ( 1.417 0.803 -1.236) 2.044 6.202 ( -3.423 6.275 0.560) 7.170 6.251 ( -1.686 6.462 2.714) 7.209 6.436 ( 1.395 1.576 -1.625) 2.659 6.577 ( -0.246 3.013 -1.815) 3.526 6.762 ( -3.011 3.419 2.360) 5.131 6.867 ( 3.958 1.097 1.537) 4.385 7.332 ( 1.698 -4.988 -1.207) 5.406 7.532 ( 1.876 1.046 -3.668) 4.250 7.635 ( 1.213 -13.777 -0.055) 13.830 7.736 ( -0.086 -5.792 -0.369) 5.804 7.805 ( -2.200 -3.665 0.939) 4.376 7.952 ( -0.506 0.913 1.287) 1.657 8.103 ( -1.425 -9.062 -0.069) 9.174 8.465 ( 1.460 9.517 -1.153) 9.697 10.022 ( 0.553 0.507 0.634) 0.983 10.108 ( 0.237 7.196 -0.642) 7.229 10.286 ( 1.157 -2.029 -0.959) 2.525 10.326 ( -0.572 -1.421 -0.977) 1.817 10.413 ( 0.463 2.640 -0.770) 2.789 10.526 ( -0.743 2.003 -0.402) 2.174 10.659 ( -0.139 -0.726 -0.319) 0.805 10.696 ( -0.559 -0.446 0.248) 0.756 10.957 ( -0.212 1.980 1.210) 2.330 11.071 ( -1.046 -0.308 0.384) 1.156 11.120 ( 0.451 -1.736 -0.421) 1.842 11.523 ( -0.082 -7.804 -2.058) 8.071 11.959 ( -0.645 -0.131 1.030) 1.222 12.036 ( 0.802 2.363 0.364) 2.522 12.128 ( 0.884 -2.206 -0.044) 2.377 12.181 ( -0.331 1.455 -1.354) 2.015 12.340 ( -1.191 -3.182 0.435) 3.426 12.461 ( 0.531 3.016 -0.190) 3.068 12.614 ( 1.687 -1.908 -3.756) 4.538 12.641 ( 1.502 0.764 -4.484) 4.791 12.716 ( -0.044 -3.038 0.136) 3.041 12.817 ( -0.751 3.438 0.910) 3.634 12.951 ( -0.352 -1.615 0.359) 1.692 12.989 ( 0.402 1.591 -0.195) 1.653 13.214 ( 1.682 -2.680 -1.901) 3.691 13.286 ( -0.177 1.766 -1.918) 2.613 13.384 ( 0.152 -1.305 -1.949) 2.350 13.399 ( 1.716 -0.095 -2.994) 3.452 ======================= Grid point 49 (23/97) ======================= q-point: (-0.33 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( -12.451 24.162 5.711) 27.775 1.213 ( -15.653 14.811 13.923) 25.656 1.654 ( 7.598 -6.920 7.273) 12.590 2.095 ( -2.699 -4.102 4.043) 6.361 2.294 ( 5.723 -7.195 -1.753) 9.359 2.413 ( 2.153 8.352 -4.863) 9.902 2.491 ( -5.171 -3.431 4.744) 7.811 2.683 ( -4.439 -22.516 3.522) 23.218 2.734 ( -2.809 5.963 0.188) 6.594 2.780 ( 2.380 -9.928 -0.711) 10.234 2.833 ( -3.062 17.894 8.705) 20.133 2.913 ( -0.520 4.597 3.473) 5.785 2.971 ( -4.663 22.632 6.877) 24.109 3.094 ( -3.682 -2.096 7.763) 8.843 3.403 ( 6.060 -6.223 1.448) 8.805 3.505 ( -0.677 -2.501 0.604) 2.661 3.617 ( -1.666 3.624 -0.375) 4.006 3.751 ( 0.389 -2.563 -2.387) 3.524 3.778 ( -1.798 -0.803 -1.505) 2.479 3.894 ( 3.850 2.632 0.115) 4.665 3.962 ( -1.837 -0.038 1.332) 2.270 4.167 ( 3.126 -6.734 -3.379) 8.157 4.244 ( 1.326 2.844 -0.768) 3.231 4.346 ( -1.937 4.271 2.304) 5.225 4.463 ( 2.510 2.146 -8.870) 9.465 4.574 ( -2.004 -1.046 -3.966) 4.565 4.653 ( 1.258 10.134 -1.293) 10.293 4.827 ( 6.470 0.698 -0.633) 6.538 4.956 ( -1.468 -6.551 -1.295) 6.837 5.033 ( 0.233 -0.719 2.418) 2.534 5.057 ( 0.497 -1.728 -3.735) 4.145 5.129 ( -0.579 -0.067 -1.910) 1.997 5.194 ( 0.161 0.371 0.006) 0.405 5.257 ( -1.915 -6.327 0.847) 6.665 5.381 ( -0.004 -0.187 1.635) 1.646 5.469 ( 3.108 -2.099 1.385) 3.998 5.741 ( 5.243 -3.559 -1.965) 6.634 5.779 ( -3.677 1.841 0.553) 4.149 5.895 ( -1.323 1.001 -0.861) 1.869 5.946 ( -0.955 -7.456 -0.850) 7.565 5.986 ( -1.496 0.493 0.940) 1.834 6.019 ( 1.411 5.988 -2.354) 6.587 6.110 ( -0.931 1.513 -1.737) 2.485 6.240 ( 0.787 0.818 0.486) 1.234 6.435 ( -4.969 -3.735 1.875) 6.493 6.555 ( 3.368 -0.294 -3.462) 4.839 6.692 ( -2.123 3.277 3.739) 5.406 6.926 ( 5.060 0.292 -0.311) 5.078 7.408 ( 1.886 -3.466 -1.066) 4.087 7.454 ( -1.260 5.651 -3.165) 6.599 7.726 ( -1.997 3.076 0.433) 3.693 7.821 ( 1.808 -6.907 0.909) 7.197 7.862 ( -1.133 0.396 -0.562) 1.325 7.893 ( -0.041 1.485 -0.228) 1.503 8.234 ( 1.858 -8.739 0.059) 8.934 8.330 ( -1.090 9.118 -0.615) 9.204 10.021 ( -0.131 5.345 0.084) 5.348 10.035 ( -0.265 -2.312 0.545) 2.390 10.325 ( 1.139 -2.628 -1.207) 3.108 10.346 ( -0.022 -1.419 -2.154) 2.580 10.390 ( 1.234 0.403 1.120) 1.715 10.476 ( -1.217 2.431 -1.744) 3.230 10.672 ( 0.294 -1.153 -0.084) 1.193 10.693 ( -0.218 0.388 -0.031) 0.447 10.937 ( -0.343 1.244 1.654) 2.098 11.086 ( -0.237 -1.834 0.542) 1.927 11.144 ( 0.638 -0.894 -0.214) 1.119 11.618 ( 0.841 -6.381 -2.048) 6.754 11.963 ( -0.583 -0.917 0.544) 1.215 12.005 ( -0.273 2.954 0.994) 3.128 12.138 ( -0.010 2.763 0.009) 2.763 12.177 ( 0.362 -3.057 -0.891) 3.204 12.387 ( -0.023 -4.422 -0.139) 4.425 12.429 ( 0.252 2.456 0.061) 2.469 12.626 ( 2.101 0.803 -4.411) 4.952 12.640 ( 1.723 -1.746 -4.110) 4.786 12.755 ( -0.534 -0.993 0.597) 1.276 12.775 ( 0.062 0.903 0.533) 1.050 12.969 ( 0.401 1.446 0.167) 1.510 12.972 ( -0.367 -1.388 -0.016) 1.436 13.225 ( 0.832 2.611 -1.842) 3.302 13.273 ( 0.568 -2.070 -2.142) 3.032 13.395 ( 0.852 -1.189 -2.649) 3.026 13.405 ( 1.695 -0.055 -2.382) 2.924 ======================= Grid point 50 (24/97) ======================= q-point: (-0.17 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 9.619 22.051 12.798) 27.250 0.908 ( -15.031 14.376 21.033) 29.580 1.830 ( 0.703 -7.022 4.761) 8.513 1.987 ( -1.451 49.611 9.331) 50.501 2.147 ( -1.249 -0.307 5.591) 5.737 2.389 ( -4.032 2.733 0.444) 4.891 2.457 ( -0.231 -2.809 0.691) 2.902 2.507 ( -3.409 7.191 3.343) 8.632 2.700 ( -2.613 -0.241 -2.227) 3.442 2.716 ( -1.026 3.405 4.110) 5.435 2.843 ( -2.759 -1.993 4.311) 5.492 3.020 ( 0.207 -11.055 4.344) 11.879 3.057 ( 2.493 -13.446 1.141) 13.723 3.241 ( -1.854 -9.712 3.182) 10.387 3.428 ( 2.946 10.557 0.008) 10.960 3.572 ( -0.762 -2.297 0.567) 2.485 3.632 ( -0.677 -13.815 2.931) 14.139 3.718 ( -2.985 1.946 -3.184) 4.779 3.793 ( -0.866 -4.862 0.076) 4.939 3.920 ( 4.996 1.840 -0.330) 5.335 3.975 ( -0.621 -2.546 -0.978) 2.797 4.161 ( -0.618 5.228 -0.567) 5.295 4.267 ( -0.707 5.515 0.976) 5.646 4.276 ( 2.756 1.352 0.723) 3.154 4.413 ( 2.705 0.125 -6.604) 7.138 4.492 ( 1.405 9.267 -3.195) 9.903 4.586 ( 1.027 -0.813 -4.084) 4.289 4.814 ( 3.854 5.286 -4.362) 7.862 5.018 ( -4.434 -4.152 0.126) 6.076 5.048 ( -2.053 -3.141 -3.183) 4.921 5.067 ( -1.037 -3.119 -0.097) 3.288 5.151 ( 1.960 -1.927 0.868) 2.882 5.221 ( 0.049 -6.650 -0.732) 6.691 5.357 ( 0.271 -5.875 1.430) 6.053 5.384 ( -0.239 0.450 0.550) 0.749 5.530 ( 0.767 -1.309 2.669) 3.070 5.645 ( -4.400 7.156 1.146) 8.478 5.804 ( -4.819 1.729 -1.382) 5.303 5.853 ( 6.671 0.284 1.477) 6.838 5.966 ( 0.940 2.144 -3.544) 4.247 5.978 ( -0.856 -1.773 -1.277) 2.347 6.053 ( -0.675 1.794 -4.660) 5.038 6.169 ( 5.339 -14.865 -0.491) 15.802 6.256 ( -2.455 -5.930 0.699) 6.457 6.457 ( -1.421 -5.303 -0.846) 5.555 6.590 ( 2.191 -0.081 -1.746) 2.803 6.690 ( -0.896 -1.992 6.083) 6.463 6.947 ( 1.217 2.423 -0.129) 2.714 7.329 ( -0.363 7.562 -1.586) 7.735 7.467 ( 1.389 -0.394 -2.307) 2.721 7.625 ( -2.558 6.841 0.158) 7.305 7.712 ( 0.407 12.830 1.247) 12.896 7.871 ( 0.996 3.054 -0.651) 3.277 7.924 ( -0.102 0.093 -0.176) 0.223 8.180 ( 0.330 8.540 0.210) 8.549 8.402 ( 0.447 -11.368 -0.773) 11.403 9.971 ( 0.265 2.419 0.466) 2.478 10.090 ( 0.009 -5.561 0.543) 5.587 10.327 ( -0.462 0.087 -2.798) 2.838 10.375 ( 0.914 -2.752 -0.546) 2.951 10.421 ( -0.385 0.737 -2.001) 2.167 10.444 ( 1.570 -1.197 1.728) 2.623 10.679 ( -0.002 0.743 -0.501) 0.896 10.691 ( 0.440 -0.393 0.117) 0.601 10.939 ( -0.524 -0.780 1.954) 2.168 11.105 ( -0.085 -0.962 -0.198) 0.986 11.152 ( 0.123 0.308 0.133) 0.357 11.668 ( -1.078 -2.917 -3.518) 4.696 11.941 ( -0.400 3.281 0.640) 3.366 11.999 ( -0.025 -1.093 0.919) 1.429 12.108 ( -0.302 1.158 0.430) 1.271 12.216 ( 0.363 -2.658 -1.202) 2.940 12.397 ( -0.412 2.014 0.086) 2.057 12.449 ( 0.300 -4.283 -0.603) 4.336 12.614 ( 1.818 1.242 -3.830) 4.418 12.661 ( 1.731 -1.315 -3.993) 4.547 12.724 ( -0.051 2.241 -0.513) 2.299 12.810 ( -0.070 -2.777 1.398) 3.110 12.950 ( 0.256 1.702 0.162) 1.729 12.991 ( -0.191 -1.536 -0.243) 1.567 13.182 ( 1.154 3.435 -2.089) 4.183 13.298 ( 1.217 -1.487 -2.618) 3.248 13.404 ( 1.075 -0.362 -2.994) 3.202 13.415 ( 1.072 -0.769 -1.875) 2.293 ======================= Grid point 53 (25/97) ======================= q-point: ( 0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 97 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 1.708 0.000 14.263) 14.365 1.376 ( 8.731 0.000 24.175) 25.703 1.751 ( -9.496 -0.000 -1.375) 9.595 1.952 ( -2.809 -0.000 6.325) 6.921 2.057 ( -7.785 -0.000 -0.721) 7.818 2.211 ( -12.416 -0.000 9.242) 15.478 2.355 ( 6.669 0.000 2.082) 6.986 2.395 ( -4.151 -0.000 0.750) 4.218 2.443 ( 5.525 0.000 2.021) 5.883 2.738 ( -0.198 -0.000 2.614) 2.622 2.872 ( 3.911 0.000 3.244) 5.081 3.031 ( -1.820 -0.000 4.038) 4.430 3.207 ( -6.285 -0.000 -2.213) 6.663 3.333 ( -2.403 -0.000 5.404) 5.914 3.458 ( 2.425 0.000 -1.585) 2.896 3.551 ( 0.755 0.000 -1.619) 1.787 3.649 ( -2.207 -0.000 1.107) 2.469 3.768 ( 1.066 0.000 -0.799) 1.332 3.931 ( 4.596 0.000 -6.201) 7.719 3.997 ( 7.711 0.000 -2.019) 7.971 4.031 ( 0.977 0.000 -0.198) 0.997 4.157 ( -0.554 -0.000 -13.615) 13.626 4.289 ( 2.269 0.000 -0.027) 2.270 4.331 ( 0.625 0.000 8.157) 8.181 4.466 ( 2.575 0.000 3.062) 4.001 4.750 ( 0.664 0.000 -4.118) 4.171 4.780 ( 4.329 0.000 5.144) 6.723 4.840 ( 0.938 0.000 2.756) 2.911 4.909 ( 1.054 0.000 -5.000) 5.110 4.940 ( 1.047 0.000 0.365) 1.109 5.115 ( -0.353 -0.000 -0.273) 0.446 5.150 ( -4.174 -0.000 -0.907) 4.272 5.199 ( -3.933 -0.000 -5.941) 7.125 5.289 ( -1.846 -0.000 -0.945) 2.073 5.342 ( 1.707 0.000 -1.876) 2.537 5.539 ( 1.577 0.000 1.020) 1.878 5.617 ( 4.612 0.000 -6.943) 8.335 5.720 ( 1.525 0.000 2.261) 2.727 5.743 ( -1.845 -0.000 0.794) 2.009 5.780 ( 1.307 0.000 2.010) 2.398 6.032 ( 2.708 0.000 -1.760) 3.230 6.139 ( -4.498 -0.000 0.671) 4.548 6.203 ( -15.540 -0.000 0.032) 15.540 6.359 ( 5.584 0.000 -0.225) 5.589 6.548 ( 0.501 0.000 -2.079) 2.139 6.777 ( 0.434 0.000 0.393) 0.585 6.816 ( 3.410 0.000 -0.040) 3.410 6.849 ( 0.315 0.000 -1.284) 1.322 7.290 ( 2.966 0.000 -0.997) 3.129 7.304 ( 2.212 0.000 1.168) 2.501 7.436 ( -0.940 -0.000 -1.040) 1.402 7.714 ( 1.361 0.000 3.018) 3.311 7.739 ( 0.686 0.000 -4.439) 4.492 7.868 ( 1.603 0.000 1.709) 2.343 7.989 ( -6.573 -0.000 1.672) 6.783 8.603 ( 1.974 0.000 -2.176) 2.938 10.045 ( 1.502 0.000 0.850) 1.726 10.228 ( 1.044 0.000 -4.655) 4.770 10.255 ( 1.312 0.000 0.513) 1.409 10.373 ( 0.013 0.000 -0.609) 0.609 10.398 ( -1.054 -0.000 1.467) 1.806 10.554 ( -0.288 -0.000 -0.107) 0.307 10.654 ( -0.222 -0.000 -0.074) 0.234 10.677 ( -1.331 -0.000 0.081) 1.333 11.009 ( 0.884 0.000 0.986) 1.324 11.067 ( -0.500 -0.000 -0.761) 0.911 11.105 ( -1.145 -0.000 0.546) 1.269 11.365 ( -2.364 -0.000 -2.444) 3.400 11.974 ( 1.148 0.000 0.420) 1.222 12.057 ( 1.253 0.000 -0.297) 1.288 12.105 ( 0.273 0.000 0.050) 0.277 12.178 ( -0.857 -0.000 -1.604) 1.819 12.311 ( -1.579 -0.000 1.316) 2.056 12.542 ( 0.191 0.000 -1.016) 1.034 12.545 ( 1.471 0.000 -1.709) 2.255 12.646 ( 0.477 0.000 -2.495) 2.540 12.675 ( 0.688 0.000 -3.079) 3.155 12.890 ( -1.973 -0.000 2.031) 2.832 12.921 ( -0.206 -0.000 -0.317) 0.378 13.020 ( 0.421 0.000 0.047) 0.424 13.141 ( 2.399 0.000 -2.108) 3.194 13.316 ( 1.167 0.000 -2.729) 2.968 13.360 ( -1.490 -0.000 -0.726) 1.657 13.390 ( 1.907 0.000 -2.975) 3.534 ======================= Grid point 54 (26/97) ======================= q-point: (-0.50 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( -6.507 -12.142 8.387) 16.128 1.525 ( -1.827 7.178 9.637) 12.155 1.733 ( 1.493 -17.308 8.835) 19.490 1.796 ( -3.616 21.963 5.244) 22.868 2.008 ( -1.582 -4.004 5.672) 7.121 2.162 ( -11.396 -7.090 7.488) 15.369 2.364 ( -0.335 -5.211 0.186) 5.225 2.504 ( 6.717 6.006 -0.625) 9.032 2.565 ( -0.357 -15.335 2.805) 15.594 2.734 ( -1.614 0.957 2.129) 2.837 2.942 ( -0.189 -0.646 5.064) 5.109 2.970 ( -4.925 4.649 2.760) 7.314 3.213 ( 1.105 -5.989 -2.582) 6.614 3.268 ( 0.331 8.086 2.611) 8.503 3.411 ( -2.865 0.949 2.745) 4.079 3.575 ( 1.056 -1.929 -0.865) 2.363 3.731 ( 0.032 3.547 -2.530) 4.357 3.748 ( -0.210 -9.758 -2.864) 10.171 3.919 ( 3.526 0.951 -1.724) 4.038 4.002 ( 1.874 5.473 0.959) 5.864 4.025 ( -0.126 5.983 -9.884) 11.554 4.119 ( -1.346 0.481 -3.457) 3.741 4.299 ( 4.792 2.993 0.725) 5.696 4.355 ( 0.550 4.996 6.423) 8.156 4.531 ( 0.611 -0.110 -0.814) 1.024 4.654 ( -1.012 8.198 2.339) 8.585 4.697 ( -1.757 3.820 -6.985) 8.152 4.841 ( 0.664 3.401 3.490) 4.918 4.921 ( 2.376 1.544 -0.633) 2.903 4.969 ( 2.567 -1.751 0.638) 3.172 5.073 ( -3.585 1.945 -1.797) 4.456 5.116 ( 0.044 -0.415 -0.367) 0.555 5.153 ( -0.109 -4.234 -4.845) 6.435 5.277 ( 0.841 2.592 1.301) 3.020 5.370 ( 1.916 -0.851 0.859) 2.266 5.513 ( 3.848 5.212 -2.386) 6.904 5.644 ( 3.821 -1.821 -6.622) 7.859 5.712 ( -1.538 -2.088 0.683) 2.682 5.861 ( 3.780 -2.196 4.228) 6.081 5.899 ( 1.904 -8.857 1.144) 9.131 5.989 ( -4.545 4.584 -2.345) 6.868 6.064 ( -4.911 -6.713 1.161) 8.398 6.106 ( -6.126 -0.856 1.223) 6.306 6.369 ( 1.828 6.983 0.250) 7.223 6.516 ( 1.105 3.097 -3.117) 4.531 6.674 ( 1.365 12.861 -1.809) 13.059 6.786 ( -1.590 2.402 2.917) 4.099 6.910 ( 2.496 -2.224 -0.136) 3.346 7.307 ( 1.839 -0.317 -1.549) 2.425 7.442 ( 1.971 -12.139 -1.183) 12.354 7.478 ( -0.697 -9.097 -1.064) 9.186 7.721 ( 1.112 1.449 -2.934) 3.456 7.759 ( 0.509 -1.727 1.420) 2.293 7.931 ( -0.959 -3.276 2.488) 4.224 7.956 ( -3.625 -7.522 0.583) 8.370 8.579 ( 1.551 5.387 -1.350) 5.766 10.048 ( 0.289 1.566 0.261) 1.613 10.196 ( 1.688 4.637 -3.294) 5.933 10.280 ( 1.047 -1.203 0.795) 1.782 10.314 ( -0.916 2.789 0.172) 2.941 10.430 ( 0.178 -0.994 -0.109) 1.016 10.532 ( -1.032 1.358 -1.863) 2.526 10.652 ( -0.043 -0.166 0.066) 0.184 10.674 ( -0.813 -1.366 0.272) 1.613 10.991 ( -0.306 2.514 0.267) 2.546 11.074 ( -0.207 1.118 0.601) 1.286 11.094 ( 0.169 -1.845 0.284) 1.875 11.404 ( 0.294 -7.567 -0.750) 7.610 11.972 ( 0.018 1.579 0.945) 1.840 12.065 ( 0.640 0.437 -0.609) 0.986 12.112 ( 0.375 -0.866 -0.136) 0.954 12.179 ( 0.423 -0.896 -0.923) 1.354 12.303 ( -1.264 -0.721 1.222) 1.900 12.505 ( 0.444 3.005 -0.497) 3.078 12.585 ( 1.378 -2.443 -2.662) 3.867 12.643 ( 1.638 0.068 -4.174) 4.484 12.680 ( 0.147 -1.885 -0.628) 1.993 12.854 ( -1.227 2.848 1.021) 3.265 12.928 ( -0.361 -1.339 -0.069) 1.388 13.015 ( 0.573 1.425 0.099) 1.539 13.179 ( 1.404 -3.169 -2.118) 4.063 13.300 ( 0.260 1.778 -2.053) 2.728 13.356 ( 0.052 -1.528 -1.687) 2.277 13.401 ( 1.832 -0.339 -2.694) 3.275 ======================= Grid point 55 (27/97) ======================= q-point: (-0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( -8.033 11.945 10.850) 18.026 1.469 ( 3.119 24.716 5.718) 25.560 1.656 ( -1.568 -5.112 7.511) 9.220 2.081 ( 2.035 -2.778 9.506) 10.111 2.131 ( -5.400 -33.445 0.142) 33.878 2.216 ( -3.956 -10.425 1.415) 11.240 2.432 ( -4.828 -3.162 6.782) 8.905 2.484 ( 2.483 -0.258 0.262) 2.510 2.701 ( 1.295 -3.814 -1.123) 4.182 2.739 ( -1.314 -0.660 1.208) 1.903 2.902 ( -1.623 -1.592 2.055) 3.065 2.933 ( -4.098 1.187 6.323) 7.628 3.142 ( -0.948 10.149 2.618) 10.524 3.319 ( 1.726 -6.431 1.131) 6.754 3.441 ( -1.877 -4.591 2.437) 5.526 3.552 ( -0.480 22.663 0.911) 22.687 3.660 ( -1.087 1.565 -2.757) 3.351 3.696 ( -4.336 11.715 -1.837) 12.626 3.804 ( 0.730 6.863 0.347) 6.910 3.919 ( -2.631 2.909 -4.807) 6.205 4.009 ( 5.053 -0.888 1.188) 5.266 4.068 ( 1.098 -6.261 0.567) 6.381 4.309 ( 0.492 3.853 0.038) 3.885 4.371 ( 3.397 -3.051 -4.933) 6.721 4.454 ( -0.274 2.651 -0.654) 2.744 4.562 ( -1.647 6.836 -5.887) 9.171 4.719 ( -1.034 -4.332 -0.741) 4.515 4.834 ( 1.192 -0.976 3.972) 4.260 4.913 ( -0.230 0.427 -2.982) 3.021 5.002 ( -1.879 1.158 -3.012) 3.734 5.035 ( 1.489 -2.145 2.357) 3.518 5.128 ( 0.577 -1.147 -0.234) 1.305 5.201 ( 3.319 1.946 -4.313) 5.780 5.263 ( 2.300 0.541 3.514) 4.235 5.395 ( -0.213 1.116 2.045) 2.339 5.499 ( 2.384 0.062 -1.876) 3.034 5.684 ( 0.117 -4.107 -1.771) 4.474 5.735 ( 0.310 -3.602 -2.674) 4.497 5.848 ( -4.275 0.490 -0.323) 4.315 5.949 ( 2.503 2.350 1.160) 3.624 5.991 ( 4.179 -1.516 0.595) 4.486 6.053 ( -2.133 0.784 0.682) 2.372 6.157 ( 0.142 0.750 -2.451) 2.567 6.253 ( -2.230 0.892 1.419) 2.790 6.437 ( 0.811 10.750 -0.841) 10.814 6.564 ( -0.159 1.370 -0.920) 1.658 6.742 ( -0.706 3.533 3.379) 4.939 6.959 ( 1.077 -1.423 -0.686) 1.912 7.329 ( -0.444 -3.429 -2.129) 4.060 7.531 ( 1.730 1.514 -3.582) 4.256 7.660 ( 0.902 -15.673 0.038) 15.699 7.722 ( 0.436 -2.568 -1.276) 2.901 7.794 ( -0.583 -2.743 2.399) 3.691 7.933 ( -1.515 -0.536 0.326) 1.640 8.090 ( 0.112 -10.867 -0.030) 10.868 8.481 ( 0.634 10.300 -0.453) 10.329 10.026 ( -0.538 0.905 0.092) 1.056 10.110 ( 0.462 7.451 -0.543) 7.485 10.304 ( 0.956 -1.293 -0.689) 1.749 10.317 ( 0.239 -1.806 -0.359) 1.857 10.424 ( 0.755 1.713 -0.158) 1.879 10.484 ( -0.657 2.111 -2.273) 3.170 10.662 ( 0.270 -1.018 0.353) 1.111 10.687 ( -0.204 -0.798 -0.036) 0.825 10.958 ( -0.819 1.429 0.644) 1.769 11.074 ( 0.364 -0.186 1.594) 1.646 11.125 ( 0.048 -2.062 -0.403) 2.101 11.520 ( 1.351 -7.738 -1.063) 7.926 11.958 ( -0.251 0.600 1.218) 1.381 12.046 ( -0.301 2.509 0.024) 2.527 12.136 ( -0.113 -2.381 -0.710) 2.487 12.177 ( 0.888 1.985 -0.300) 2.195 12.330 ( -0.046 -3.768 0.651) 3.824 12.466 ( -0.013 2.954 -0.178) 2.960 12.614 ( 1.577 -1.872 -3.608) 4.360 12.638 ( 2.400 0.615 -4.667) 5.284 12.718 ( -0.107 -3.298 0.666) 3.366 12.807 ( -0.616 2.956 0.405) 3.046 12.945 ( -0.300 -1.728 -0.043) 1.754 12.999 ( 0.356 1.844 0.258) 1.896 13.226 ( 0.841 -3.484 -2.196) 4.203 13.263 ( 0.510 2.572 -1.709) 3.129 13.373 ( 0.899 -1.584 -2.511) 3.102 13.411 ( 1.534 -0.125 -2.342) 2.802 ======================= Grid point 56 (28/97) ======================= q-point: (-0.17 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( -3.966 13.736 13.214) 19.469 1.295 ( 16.977 21.289 12.534) 29.976 1.710 ( -9.006 -7.730 6.402) 13.485 2.158 ( 0.462 0.087 4.456) 4.480 2.212 ( -15.599 -6.878 -1.169) 17.087 2.370 ( 4.622 -7.090 -1.939) 8.683 2.448 ( 3.473 5.275 -3.014) 6.998 2.658 ( -1.711 1.512 0.284) 2.301 2.729 ( 0.785 -16.716 3.824) 17.165 2.825 ( -3.626 6.818 5.854) 9.691 2.827 ( -1.290 -8.264 3.442) 9.045 2.939 ( 0.370 27.305 6.548) 28.081 2.985 ( -1.524 11.589 6.364) 13.309 3.135 ( -1.353 -8.820 6.411) 10.987 3.388 ( -8.859 -5.772 2.110) 10.782 3.539 ( 0.667 -4.192 2.709) 5.036 3.582 ( 2.380 2.041 -1.968) 3.702 3.677 ( -1.355 -1.920 -3.826) 4.490 3.769 ( -0.295 1.050 1.439) 1.806 3.861 ( -2.941 -2.547 -2.392) 4.567 4.053 ( 5.786 3.662 0.471) 6.863 4.179 ( -0.237 -2.952 -3.090) 4.280 4.265 ( 0.617 1.656 -0.718) 1.907 4.370 ( 0.531 -1.708 -4.875) 5.193 4.440 ( 2.602 8.864 -0.293) 9.243 4.475 ( 1.360 -4.050 -3.753) 5.687 4.681 ( 0.962 6.195 -1.357) 6.415 4.852 ( -4.996 -1.161 -3.179) 6.034 4.937 ( 2.526 1.128 -0.203) 2.774 4.967 ( -0.351 -5.501 -3.498) 6.528 5.068 ( 0.528 3.152 -0.031) 3.196 5.142 ( -0.395 -0.888 -1.965) 2.192 5.168 ( 2.354 -0.330 1.447) 2.783 5.310 ( -1.001 -1.693 1.274) 2.343 5.393 ( 0.694 -0.481 1.364) 1.604 5.532 ( -0.898 -1.317 1.944) 2.513 5.673 ( -2.032 2.483 -2.596) 4.127 5.769 ( 0.505 -0.563 -0.801) 1.102 5.903 ( -0.406 -7.893 -1.253) 8.002 5.931 ( 3.516 -0.064 -0.895) 3.629 5.987 ( -0.646 4.244 0.016) 4.292 6.057 ( 2.901 1.107 -2.288) 3.857 6.088 ( 1.189 0.339 0.559) 1.357 6.289 ( 3.234 7.064 -0.780) 7.808 6.338 ( -3.194 -7.387 -0.383) 8.057 6.581 ( 0.716 -2.332 -0.459) 2.482 6.723 ( 0.198 2.188 4.774) 5.255 6.949 ( -4.102 -0.132 0.041) 4.104 7.358 ( -0.645 -2.289 -2.836) 3.701 7.481 ( 3.238 4.490 -2.254) 5.977 7.709 ( 0.753 4.651 -0.239) 4.717 7.824 ( -1.605 -0.874 0.422) 1.875 7.868 ( 1.274 -9.435 0.101) 9.522 7.902 ( 0.533 4.355 0.177) 4.391 8.217 ( -2.015 -7.102 -0.542) 7.402 8.347 ( 1.757 7.180 -0.073) 7.392 10.017 ( -0.124 2.378 0.288) 2.398 10.044 ( 0.105 -0.340 0.602) 0.699 10.317 ( -0.096 0.799 -1.844) 2.012 10.342 ( 0.822 -2.707 -0.457) 2.866 10.411 ( 0.005 0.519 -2.767) 2.815 10.464 ( 1.383 0.045 1.433) 1.991 10.685 ( -0.148 0.464 -0.466) 0.674 10.686 ( 0.444 -1.221 0.407) 1.362 10.943 ( -0.667 0.395 1.446) 1.641 11.091 ( -0.093 -0.784 0.802) 1.126 11.141 ( -0.543 -1.063 -0.526) 1.305 11.600 ( 0.336 -3.267 -2.547) 4.156 11.968 ( 0.420 -0.790 0.806) 1.204 12.001 ( -0.962 2.601 0.890) 2.913 12.137 ( -0.002 2.011 -0.117) 2.015 12.178 ( 0.462 -1.929 -0.774) 2.130 12.392 ( 0.515 -4.354 -0.024) 4.385 12.423 ( -0.668 2.897 -0.148) 2.977 12.627 ( 1.988 0.168 -4.521) 4.942 12.641 ( 1.936 -0.918 -3.947) 4.492 12.751 ( -0.128 0.991 0.358) 1.062 12.779 ( -0.409 -1.482 0.804) 1.735 12.964 ( -0.230 -1.391 -0.077) 1.412 12.979 ( 0.118 1.582 0.322) 1.618 13.226 ( 0.822 2.539 -1.724) 3.177 13.269 ( 1.243 -2.554 -2.338) 3.679 13.389 ( 1.244 -1.157 -3.092) 3.528 13.413 ( 0.851 0.151 -1.938) 2.122 ======================= Grid point 60 (29/97) ======================= q-point: (-0.50 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( -9.819 -0.000 9.514) 13.672 1.561 ( -0.958 -0.000 -8.325) 8.380 1.682 ( -6.440 -0.000 13.801) 15.230 1.983 ( -7.360 -0.000 14.021) 15.836 2.044 ( 2.307 0.000 8.350) 8.663 2.061 ( -0.657 -0.000 11.685) 11.703 2.370 ( 2.723 0.000 2.748) 3.869 2.415 ( 3.287 0.000 2.779) 4.305 2.595 ( -1.294 -0.000 -6.752) 6.875 2.723 ( -3.260 -0.000 2.031) 3.841 2.948 ( -3.735 -0.000 4.039) 5.501 2.955 ( -5.667 -0.000 2.455) 6.176 3.150 ( 4.377 0.000 2.149) 4.876 3.322 ( -3.861 -0.000 2.445) 4.570 3.480 ( 1.174 0.000 -1.898) 2.232 3.557 ( 0.165 0.000 -1.812) 1.819 3.589 ( -0.769 -0.000 -1.396) 1.594 3.760 ( -0.088 -0.000 -2.455) 2.457 3.936 ( -0.818 -0.000 -2.258) 2.402 3.976 ( -3.491 -0.000 -10.652) 11.209 4.064 ( 2.598 0.000 -6.501) 7.001 4.091 ( 4.639 0.000 0.492) 4.665 4.381 ( 2.079 0.000 5.327) 5.718 4.412 ( -3.158 -0.000 -0.564) 3.208 4.549 ( 4.317 0.000 8.004) 9.094 4.653 ( -1.682 -0.000 -9.584) 9.731 4.707 ( -6.592 -0.000 -6.185) 9.039 4.879 ( -0.947 -0.000 3.312) 3.445 4.971 ( -0.376 -0.000 0.813) 0.896 5.009 ( 4.217 0.000 0.651) 4.267 5.057 ( 0.290 0.000 1.785) 1.808 5.084 ( -0.340 -0.000 -1.526) 1.564 5.156 ( 4.774 0.000 -2.624) 5.447 5.333 ( 0.301 0.000 3.779) 3.791 5.362 ( 0.192 0.000 -2.027) 2.036 5.587 ( 3.184 0.000 -2.868) 4.285 5.644 ( 4.321 0.000 -5.103) 6.687 5.703 ( 0.014 0.000 1.218) 1.218 5.790 ( -5.361 -0.000 1.492) 5.565 5.909 ( 0.569 0.000 1.351) 1.466 5.947 ( 5.869 0.000 3.979) 7.091 6.027 ( -5.919 -0.000 4.359) 7.351 6.063 ( 1.527 0.000 -1.854) 2.402 6.435 ( 0.062 0.000 -1.841) 1.842 6.511 ( -0.366 -0.000 -2.432) 2.459 6.775 ( -0.545 -0.000 -1.444) 1.543 6.854 ( 1.018 0.000 0.750) 1.264 6.881 ( 1.603 0.000 -0.177) 1.612 7.317 ( 0.523 0.000 -1.820) 1.893 7.337 ( -0.763 -0.000 0.095) 0.769 7.418 ( 0.811 0.000 -0.585) 1.000 7.694 ( 0.465 0.000 -6.241) 6.259 7.807 ( 3.977 0.000 1.489) 4.247 7.848 ( -6.151 -0.000 2.362) 6.589 7.909 ( -0.025 -0.000 2.386) 2.387 8.626 ( 1.308 0.000 -1.047) 1.675 10.056 ( -0.947 -0.000 -0.346) 1.009 10.233 ( 3.196 0.000 -3.837) 4.994 10.279 ( -0.061 -0.000 0.953) 0.954 10.374 ( 0.287 0.000 -0.151) 0.324 10.389 ( -1.045 -0.000 1.575) 1.890 10.516 ( -1.000 -0.000 -2.881) 3.050 10.654 ( 0.195 0.000 0.257) 0.323 10.657 ( -0.099 -0.000 0.116) 0.152 11.003 ( -1.301 -0.000 -0.978) 1.627 11.066 ( 0.539 0.000 -0.113) 0.550 11.109 ( 0.238 0.000 1.816) 1.832 11.365 ( 2.749 0.000 1.431) 3.100 11.994 ( 0.084 0.000 1.020) 1.024 12.060 ( -0.081 -0.000 -1.447) 1.450 12.113 ( 0.242 0.000 0.084) 0.256 12.176 ( 1.240 0.000 0.128) 1.247 12.294 ( -0.807 -0.000 1.193) 1.441 12.536 ( 0.335 0.000 -1.229) 1.274 12.565 ( 1.463 0.000 -1.501) 2.096 12.639 ( 1.221 0.000 -2.719) 2.981 12.669 ( 1.176 0.000 -2.156) 2.456 12.865 ( -1.539 -0.000 1.299) 2.014 12.911 ( -0.074 -0.000 -0.867) 0.870 13.033 ( 0.279 0.000 0.517) 0.588 13.158 ( 0.985 0.000 -2.387) 2.582 13.311 ( 1.041 0.000 -2.990) 3.166 13.335 ( 0.367 0.000 -0.914) 0.985 13.406 ( 1.710 0.000 -2.334) 2.893 ======================= Grid point 61 (30/97) ======================= q-point: (-0.33 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( -4.919 -12.382 5.343) 14.354 1.513 ( -0.263 -2.376 -5.349) 5.859 1.655 ( -18.876 -12.253 13.061) 26.020 1.920 ( 6.019 18.112 9.028) 21.114 2.074 ( -1.228 -5.267 10.699) 11.988 2.182 ( 4.510 -1.703 9.641) 10.779 2.371 ( -11.973 1.811 0.661) 12.127 2.460 ( -1.356 -1.571 -0.049) 2.076 2.658 ( 5.109 -13.445 5.031) 15.238 2.704 ( -1.114 -0.262 0.516) 1.255 2.896 ( -2.956 2.140 0.520) 3.686 2.910 ( -2.673 0.991 2.254) 3.634 3.219 ( -5.824 5.267 0.662) 7.881 3.322 ( 6.197 -3.936 3.617) 8.184 3.355 ( -2.241 2.150 0.962) 3.251 3.590 ( 0.617 0.112 -0.655) 0.907 3.664 ( -1.783 -2.121 -4.685) 5.443 3.728 ( 0.770 -2.240 -2.588) 3.509 3.874 ( -2.793 -0.286 -5.996) 6.621 3.936 ( -0.654 -4.085 -0.544) 4.173 4.025 ( 0.053 9.464 -4.688) 10.561 4.138 ( 4.197 2.842 0.423) 5.086 4.327 ( -2.757 2.190 -1.021) 3.666 4.405 ( -1.292 6.632 -1.553) 6.933 4.480 ( -2.795 5.326 -2.722) 6.603 4.579 ( -0.423 0.181 -8.435) 8.447 4.668 ( 1.170 -1.460 4.999) 5.338 4.862 ( -1.385 1.556 2.601) 3.332 4.901 ( -2.953 4.853 -2.110) 6.060 5.021 ( 1.496 2.978 0.652) 3.396 5.078 ( 3.400 0.554 3.157) 4.673 5.133 ( 2.067 -1.220 2.044) 3.152 5.224 ( 3.884 -2.230 -1.977) 4.896 5.319 ( 1.779 1.951 1.354) 2.967 5.379 ( -0.973 -4.058 -0.149) 4.176 5.531 ( -1.998 9.140 -2.370) 9.651 5.634 ( 0.333 -2.597 -1.269) 2.910 5.706 ( 3.404 -2.681 -1.715) 4.660 5.850 ( -1.452 2.256 0.060) 2.684 5.966 ( -3.456 -6.753 1.335) 7.703 6.028 ( 7.486 -3.553 0.588) 8.307 6.055 ( 4.004 1.088 -1.494) 4.410 6.080 ( 2.730 -2.743 4.706) 6.093 6.332 ( -3.865 9.094 -1.734) 10.032 6.513 ( 1.208 -0.962 -2.655) 3.072 6.664 ( -0.610 12.834 -2.364) 13.064 6.807 ( 0.173 4.634 4.283) 6.313 6.914 ( -2.405 -1.979 -0.414) 3.142 7.300 ( -0.430 0.834 -2.172) 2.366 7.429 ( -0.940 -12.122 -1.798) 12.290 7.490 ( 1.628 -10.273 -0.640) 10.421 7.702 ( 1.337 -2.305 -3.156) 4.130 7.805 ( -1.926 -0.041 2.363) 3.049 7.857 ( 0.099 -2.934 0.116) 2.938 7.980 ( 1.013 -7.106 0.942) 7.240 8.594 ( 0.387 5.833 -0.644) 5.881 10.028 ( -1.696 0.995 -0.564) 2.046 10.211 ( 1.263 6.323 -1.705) 6.669 10.296 ( 0.700 -1.502 -0.188) 1.667 10.322 ( 0.516 2.135 1.249) 2.526 10.430 ( 0.074 -1.382 -1.191) 1.826 10.486 ( -0.559 0.495 -2.135) 2.262 10.656 ( 0.355 -0.274 0.206) 0.494 10.674 ( 0.484 -1.177 0.141) 1.280 10.963 ( -1.398 1.736 -0.489) 2.281 11.090 ( 0.606 -1.737 -0.192) 1.850 11.109 ( 0.284 1.100 1.714) 2.057 11.461 ( 4.011 -5.161 1.550) 6.717 11.982 ( -0.115 1.878 1.161) 2.210 12.052 ( -0.905 -0.120 -0.989) 1.346 12.114 ( -0.126 -0.165 0.144) 0.253 12.202 ( 1.702 -0.121 -0.298) 1.732 12.302 ( 0.189 -1.364 1.279) 1.879 12.505 ( 0.119 3.052 -0.604) 3.113 12.591 ( 1.460 -1.779 -2.628) 3.493 12.646 ( 2.153 -0.294 -3.914) 4.477 12.684 ( 0.673 -1.833 -0.450) 2.003 12.837 ( -0.863 2.283 0.623) 2.519 12.918 ( -0.108 -1.540 -0.531) 1.632 13.026 ( -0.035 1.452 0.538) 1.549 13.175 ( 0.211 -2.968 -2.274) 3.745 13.294 ( 1.272 1.697 -2.351) 3.166 13.353 ( 1.414 -1.330 -1.918) 2.729 13.414 ( 1.326 -0.138 -2.100) 2.487 ======================= Grid point 62 (31/97) ======================= q-point: (-0.17 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( -2.568 7.157 7.730) 10.843 1.516 ( -7.790 -4.427 2.861) 9.406 1.786 ( -20.843 -20.115 -1.947) 29.031 1.830 ( 15.012 17.925 11.999) 26.280 2.184 ( -1.033 -4.593 4.485) 6.502 2.284 ( -4.241 -12.528 0.782) 13.250 2.342 ( -2.985 -19.670 9.339) 21.978 2.531 ( 1.199 -1.400 3.909) 4.322 2.690 ( -1.369 1.121 0.997) 2.031 2.799 ( 5.128 1.804 -1.466) 5.630 2.853 ( -6.180 -0.097 4.803) 7.828 2.950 ( 3.650 -6.106 1.980) 7.384 3.056 ( -7.504 4.443 1.867) 8.918 3.279 ( -6.092 2.100 1.383) 6.590 3.519 ( 2.966 -4.476 4.634) 7.092 3.523 ( -2.346 21.305 -0.724) 21.446 3.611 ( 1.497 -2.013 -0.287) 2.525 3.644 ( -0.768 14.189 0.530) 14.220 3.774 ( -1.394 0.316 -0.912) 1.696 3.853 ( 0.911 4.237 -0.650) 4.382 4.067 ( 0.225 -9.868 -1.713) 10.018 4.128 ( 1.433 0.719 -2.529) 2.994 4.294 ( 0.329 1.813 -3.214) 3.705 4.331 ( -0.082 -1.420 -3.402) 3.688 4.413 ( 1.665 0.533 -6.617) 6.844 4.575 ( 1.422 -1.356 -2.051) 2.840 4.691 ( -1.119 0.754 1.949) 2.370 4.776 ( -5.073 3.725 -1.998) 6.603 4.879 ( 1.110 -3.351 0.653) 3.590 5.017 ( 3.137 2.849 0.739) 4.301 5.108 ( 1.226 1.520 2.106) 2.872 5.152 ( 0.056 1.295 -0.170) 1.307 5.248 ( 3.658 4.045 -0.584) 5.485 5.289 ( -2.978 2.582 -0.989) 4.064 5.418 ( 1.282 1.587 2.486) 3.216 5.482 ( -0.823 -4.971 1.052) 5.147 5.658 ( 0.801 -0.529 -3.886) 4.003 5.754 ( -1.113 -2.950 1.110) 3.343 5.829 ( 4.584 -1.969 -0.880) 5.066 5.966 ( 0.693 2.651 -2.139) 3.476 6.056 ( -0.143 1.355 -0.328) 1.402 6.110 ( -1.851 7.365 -2.017) 7.857 6.135 ( 0.602 0.326 2.416) 2.511 6.243 ( 6.619 -3.202 -0.920) 7.410 6.447 ( 0.802 12.664 -2.493) 12.932 6.547 ( -0.954 -2.523 0.405) 2.728 6.785 ( 0.487 2.786 3.639) 4.608 6.867 ( -7.173 -0.258 0.297) 7.184 7.304 ( 1.007 -3.333 -2.497) 4.284 7.530 ( 1.010 -2.289 -3.540) 4.335 7.680 ( 0.350 -13.581 0.676) 13.602 7.738 ( 0.605 -4.551 0.120) 4.593 7.808 ( 0.124 0.046 0.749) 0.760 7.914 ( 0.175 -3.738 0.394) 3.762 8.096 ( 0.966 -8.136 -0.922) 8.245 8.477 ( -0.802 10.094 -0.357) 10.132 10.002 ( -1.261 -0.697 -0.200) 1.455 10.111 ( -0.272 7.096 0.011) 7.101 10.324 ( 1.057 -0.082 -0.555) 1.197 10.328 ( 1.201 -0.674 0.095) 1.380 10.411 ( 0.135 1.573 -3.389) 3.739 10.480 ( 0.171 -0.417 0.549) 0.710 10.672 ( 0.330 -1.147 0.269) 1.224 10.688 ( 0.292 -0.067 -0.353) 0.463 10.935 ( -1.253 -0.047 0.383) 1.311 11.103 ( 0.404 1.164 1.143) 1.680 11.119 ( 0.194 -1.288 -0.346) 1.348 11.573 ( 3.421 -3.093 0.213) 4.617 11.970 ( -0.116 0.293 1.225) 1.265 12.024 ( -1.198 1.885 -0.250) 2.248 12.122 ( -0.511 -1.578 -0.077) 1.661 12.199 ( 1.092 2.252 -0.459) 2.544 12.351 ( 1.103 -3.354 0.693) 3.598 12.458 ( -0.340 3.468 -0.344) 3.502 12.613 ( 1.666 -1.279 -3.770) 4.316 12.649 ( 2.525 0.596 -4.414) 5.120 12.725 ( 0.044 -3.243 0.649) 3.307 12.798 ( -0.438 2.743 0.332) 2.797 12.939 ( -0.020 -1.819 -0.200) 1.830 13.005 ( -0.262 1.818 0.447) 1.891 13.207 ( -0.055 -3.185 -2.156) 3.846 13.279 ( 1.960 1.581 -2.149) 3.311 13.375 ( 1.721 -0.990 -2.609) 3.279 13.416 ( 0.865 0.204 -2.032) 2.218 ======================= Grid point 67 (32/97) ======================= q-point: (-0.33 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 97 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( -16.653 -0.000 4.865) 17.349 1.398 ( -25.252 -0.000 13.505) 28.637 1.598 ( 12.811 0.000 -9.419) 15.901 1.978 ( -3.817 -0.000 12.074) 12.663 2.076 ( -31.352 -0.000 0.895) 31.365 2.271 ( 0.341 0.000 9.716) 9.722 2.298 ( 10.159 0.000 8.050) 12.962 2.542 ( 1.765 0.000 6.170) 6.417 2.596 ( 9.923 0.000 4.861) 11.050 2.694 ( -1.837 -0.000 2.233) 2.892 2.830 ( -6.260 -0.000 1.190) 6.372 2.980 ( 7.070 0.000 -2.258) 7.422 3.172 ( -9.747 -0.000 1.742) 9.902 3.371 ( 7.024 0.000 5.741) 9.072 3.487 ( 0.612 0.000 -0.062) 0.615 3.502 ( 0.271 0.000 -4.321) 4.330 3.601 ( 0.204 0.000 -0.706) 0.734 3.708 ( -1.804 -0.000 -3.483) 3.922 3.788 ( -2.851 -0.000 -6.828) 7.400 3.893 ( -0.846 -0.000 -0.329) 0.908 4.064 ( 2.865 0.000 -4.617) 5.433 4.213 ( 3.623 0.000 0.956) 3.747 4.248 ( -5.973 -0.000 -4.523) 7.492 4.427 ( -3.895 -0.000 5.012) 6.348 4.470 ( -5.870 -0.000 -7.103) 9.215 4.523 ( 1.235 0.000 -12.116) 12.179 4.675 ( -1.689 -0.000 2.744) 3.222 4.832 ( -2.842 -0.000 -4.070) 4.964 4.967 ( 0.508 0.000 7.083) 7.101 5.083 ( 2.535 0.000 0.177) 2.541 5.115 ( 0.735 0.000 2.826) 2.920 5.180 ( 3.633 0.000 4.174) 5.533 5.241 ( 3.075 0.000 1.104) 3.267 5.311 ( -1.032 -0.000 -3.804) 3.942 5.349 ( 1.205 0.000 -2.814) 3.062 5.624 ( 2.203 0.000 -2.122) 3.059 5.673 ( -2.643 -0.000 6.566) 7.078 5.689 ( 2.033 0.000 -0.166) 2.040 5.784 ( 3.267 0.000 2.011) 3.837 5.909 ( -3.455 -0.000 -0.595) 3.506 6.065 ( 0.536 0.000 -1.156) 1.274 6.131 ( 2.934 0.000 4.748) 5.582 6.160 ( 14.476 0.000 -3.092) 14.802 6.325 ( -5.630 -0.000 -0.864) 5.696 6.500 ( 0.649 0.000 -2.535) 2.617 6.716 ( -1.181 -0.000 -4.615) 4.763 6.866 ( -3.156 -0.000 0.453) 3.188 6.913 ( 1.392 0.000 3.392) 3.666 7.275 ( -3.476 -0.000 -0.488) 3.510 7.292 ( -0.491 -0.000 -1.834) 1.899 7.451 ( 1.532 0.000 0.080) 1.534 7.640 ( 1.127 0.000 -6.564) 6.660 7.763 ( -3.923 -0.000 4.953) 6.318 7.913 ( -1.458 -0.000 1.647) 2.199 7.932 ( 5.907 0.000 -1.770) 6.167 8.632 ( -0.228 -0.000 -0.811) 0.842 10.004 ( -2.422 -0.000 -0.796) 2.550 10.275 ( -1.143 -0.000 1.093) 1.582 10.286 ( 3.730 0.000 -2.503) 4.492 10.374 ( -0.053 -0.000 -0.291) 0.296 10.387 ( -0.070 -0.000 0.829) 0.831 10.465 ( -0.764 -0.000 -2.483) 2.598 10.665 ( 0.349 0.000 0.363) 0.504 10.671 ( 0.943 0.000 -0.543) 1.088 10.964 ( -0.593 -0.000 -0.483) 0.764 11.081 ( 0.637 0.000 0.256) 0.686 11.127 ( -0.218 -0.000 0.954) 0.978 11.503 ( 6.126 0.000 2.747) 6.714 12.000 ( -0.651 -0.000 0.897) 1.108 12.029 ( -1.297 -0.000 -0.992) 1.633 12.117 ( -0.055 -0.000 0.414) 0.418 12.222 ( 2.192 0.000 -0.290) 2.211 12.305 ( 0.708 0.000 1.419) 1.586 12.534 ( 0.689 0.000 -1.397) 1.558 12.575 ( 0.469 0.000 -1.206) 1.294 12.643 ( 1.297 0.000 -2.110) 2.477 12.684 ( 2.250 0.000 -2.865) 3.643 12.848 ( -0.990 -0.000 1.218) 1.570 12.902 ( 0.335 0.000 -1.243) 1.287 13.038 ( -0.456 -0.000 0.690) 0.827 13.139 ( -0.387 -0.000 -2.198) 2.232 13.304 ( 1.251 0.000 -3.260) 3.492 13.360 ( 2.421 0.000 -1.141) 2.676 13.416 ( 0.966 0.000 -1.895) 2.126 ======================= Grid point 68 (33/97) ======================= q-point: (-0.17 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( -17.624 -22.123 3.133) 28.458 1.226 ( -24.304 -17.715 3.467) 30.274 1.635 ( 9.904 9.284 -2.618) 13.825 1.749 ( -33.404 -12.604 15.887) 39.078 2.108 ( 2.551 -10.125 6.173) 12.130 2.294 ( -2.256 0.037 3.143) 3.869 2.356 ( 11.144 12.827 7.964) 18.765 2.536 ( -1.457 0.065 5.865) 6.044 2.682 ( -1.884 -0.795 2.649) 3.346 2.788 ( -3.339 -1.417 1.523) 3.934 2.887 ( 9.217 -10.335 3.933) 14.396 2.962 ( 1.586 8.961 -3.508) 9.753 3.056 ( -5.372 4.006 4.277) 7.950 3.307 ( -1.709 9.031 -1.288) 9.281 3.529 ( 1.038 -2.478 2.305) 3.540 3.555 ( 0.172 0.280 0.248) 0.411 3.609 ( 1.482 -0.902 0.437) 1.789 3.717 ( 0.343 -6.925 -2.777) 7.469 3.777 ( 0.255 -0.105 -3.636) 3.646 3.925 ( -0.670 -6.532 -0.355) 6.576 4.019 ( 1.356 8.866 -2.654) 9.354 4.126 ( -1.770 3.898 -1.299) 4.473 4.277 ( -3.371 -0.048 -2.153) 4.000 4.316 ( -0.421 1.714 -1.002) 2.030 4.393 ( -1.816 -0.556 -3.235) 3.751 4.489 ( 0.471 -1.830 -8.870) 9.069 4.673 ( -2.242 -2.368 0.130) 3.264 4.767 ( -1.413 1.745 -6.934) 7.289 4.968 ( 2.444 6.537 9.247) 11.585 5.093 ( 2.322 2.316 0.451) 3.310 5.131 ( -0.490 0.103 1.652) 1.726 5.195 ( 0.136 2.856 1.076) 3.055 5.274 ( 1.345 1.390 0.278) 1.954 5.328 ( 0.673 -0.204 -1.573) 1.723 5.387 ( 2.677 -5.867 -0.420) 6.463 5.545 ( 0.444 10.385 4.598) 11.366 5.647 ( 2.288 -1.125 -1.764) 3.101 5.727 ( -3.267 0.751 2.681) 4.292 5.875 ( 4.105 0.361 -2.513) 4.827 5.924 ( -1.676 -9.305 0.595) 9.473 6.041 ( 0.262 3.189 -1.504) 3.535 6.135 ( -0.658 2.780 -1.143) 3.077 6.227 ( -1.437 6.991 1.560) 7.306 6.340 ( 12.471 -2.571 -1.959) 12.883 6.502 ( -0.600 -1.573 -1.324) 2.142 6.589 ( -1.965 11.956 -4.525) 12.933 6.800 ( -5.845 3.050 1.546) 6.772 6.874 ( 0.799 5.023 3.220) 6.020 7.270 ( -0.107 -1.203 -1.202) 1.704 7.386 ( -0.897 -14.231 -2.037) 14.404 7.512 ( 0.915 -9.235 -0.689) 9.306 7.719 ( 2.610 -7.072 -3.022) 8.121 7.742 ( -3.967 -1.636 2.819) 5.134 7.902 ( 0.237 -0.615 1.743) 1.863 8.022 ( 3.291 -4.702 -1.618) 5.963 8.576 ( -1.199 6.392 -0.844) 6.558 9.975 ( -1.821 -0.349 -0.512) 1.924 10.203 ( -0.974 7.099 -0.147) 7.167 10.330 ( 2.234 -1.097 -0.884) 2.641 10.354 ( 1.152 1.250 0.868) 1.909 10.409 ( 0.291 -0.109 -2.478) 2.497 10.457 ( -0.947 -1.681 -0.450) 1.981 10.669 ( 0.401 -0.213 -0.019) 0.455 10.684 ( 0.352 -0.724 -0.561) 0.981 10.943 ( -0.053 2.141 0.594) 2.222 11.106 ( 0.841 -1.674 0.146) 1.879 11.123 ( -0.198 0.561 0.373) 0.703 11.602 ( 5.537 -1.451 1.682) 5.965 11.980 ( -1.364 1.225 0.785) 1.994 12.014 ( -1.220 -0.500 -0.657) 1.473 12.113 ( -0.213 0.610 0.570) 0.862 12.234 ( 1.267 1.271 -0.807) 1.967 12.338 ( 1.527 -1.708 1.179) 2.577 12.502 ( 0.189 3.486 -0.668) 3.555 12.594 ( 1.114 -1.838 -2.633) 3.399 12.656 ( 1.730 -0.703 -2.947) 3.489 12.699 ( 1.427 -0.985 -1.725) 2.446 12.829 ( -0.474 2.061 0.931) 2.311 12.915 ( 0.376 -1.678 -0.632) 1.832 13.024 ( -0.525 1.362 0.381) 1.508 13.148 ( -0.276 -3.423 -2.113) 4.032 13.300 ( 1.606 0.456 -3.008) 3.441 13.383 ( 2.481 0.109 -1.603) 2.956 13.416 ( 0.728 -0.039 -2.008) 2.137 ======================= Grid point 74 (34/97) ======================= q-point: (-0.17 -0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( -20.352 -0.000 9.087) 22.288 0.790 ( -32.447 -0.000 -1.012) 32.463 1.332 ( -38.942 -0.000 31.749) 50.244 1.843 ( 12.828 0.000 -7.152) 14.687 2.059 ( -0.538 -0.000 11.144) 11.157 2.272 ( -5.602 -0.000 3.789) 6.763 2.457 ( -3.055 -0.000 -0.086) 3.057 2.668 ( -1.862 -0.000 3.364) 3.845 2.671 ( 3.119 0.000 3.938) 5.023 2.787 ( 2.207 0.000 5.544) 5.967 2.903 ( 5.078 0.000 4.515) 6.795 2.965 ( -2.559 -0.000 0.090) 2.561 3.162 ( 6.014 0.000 0.873) 6.077 3.394 ( -0.646 -0.000 -4.372) 4.419 3.481 ( -3.662 -0.000 2.402) 4.380 3.560 ( -1.108 -0.000 -1.704) 2.033 3.619 ( 4.639 0.000 3.956) 6.097 3.640 ( 1.649 0.000 -4.361) 4.663 3.751 ( 2.420 0.000 -2.843) 3.734 3.876 ( -1.335 -0.000 0.307) 1.369 4.040 ( -2.780 -0.000 -1.235) 3.042 4.156 ( 1.444 0.000 -0.082) 1.446 4.231 ( -3.975 -0.000 1.383) 4.209 4.305 ( -3.302 -0.000 -2.308) 4.028 4.358 ( -1.113 -0.000 -1.150) 1.601 4.444 ( 2.563 0.000 -11.937) 12.209 4.620 ( -2.159 -0.000 -0.034) 2.159 4.740 ( 2.463 0.000 -8.466) 8.817 5.075 ( -1.642 -0.000 7.175) 7.361 5.128 ( 0.386 0.000 0.334) 0.511 5.137 ( 2.323 0.000 0.202) 2.332 5.233 ( -1.770 -0.000 0.119) 1.774 5.277 ( 0.193 0.000 0.659) 0.687 5.315 ( 2.522 0.000 -1.548) 2.959 5.417 ( 5.411 0.000 1.223) 5.547 5.643 ( -1.452 -0.000 2.240) 2.669 5.682 ( -5.288 -0.000 3.124) 6.142 5.715 ( 0.040 0.000 3.274) 3.274 5.805 ( -1.633 -0.000 0.162) 1.641 5.908 ( 4.450 0.000 -3.928) 5.936 6.060 ( 0.351 0.000 -2.008) 2.039 6.121 ( -2.658 -0.000 -2.578) 3.702 6.294 ( -0.137 -0.000 6.336) 6.337 6.431 ( 10.176 0.000 -5.513) 11.573 6.480 ( 0.039 0.000 -2.730) 2.731 6.667 ( 2.877 0.000 -4.577) 5.406 6.765 ( -4.878 -0.000 1.040) 4.988 6.958 ( -1.427 -0.000 3.579) 3.853 7.200 ( -2.121 -0.000 -0.066) 2.122 7.272 ( 0.405 0.000 -1.630) 1.680 7.480 ( 0.695 0.000 0.155) 0.712 7.628 ( 3.510 0.000 -5.036) 6.139 7.738 ( -2.863 -0.000 4.184) 5.070 7.876 ( -2.391 -0.000 0.321) 2.413 8.041 ( 4.344 0.000 -0.967) 4.451 8.600 ( -1.128 -0.000 -1.260) 1.691 9.950 ( -1.360 -0.000 -0.198) 1.375 10.245 ( -1.783 -0.000 0.145) 1.788 10.336 ( 2.308 0.000 -2.656) 3.518 10.375 ( 0.430 0.000 -0.151) 0.456 10.407 ( 1.252 0.000 0.486) 1.343 10.432 ( -0.650 -0.000 -0.148) 0.667 10.673 ( 0.031 0.000 0.145) 0.149 10.676 ( 0.474 0.000 -1.164) 1.256 10.974 ( 0.833 0.000 0.690) 1.082 11.101 ( 0.592 0.000 0.510) 0.781 11.120 ( -0.572 -0.000 0.091) 0.579 11.668 ( 5.223 0.000 0.800) 5.283 11.969 ( -2.432 -0.000 -0.205) 2.441 11.993 ( -0.909 -0.000 -0.154) 0.922 12.123 ( 0.176 0.000 0.387) 0.425 12.252 ( 0.995 0.000 -1.079) 1.468 12.351 ( 1.367 0.000 1.111) 1.762 12.539 ( 0.918 0.000 -1.328) 1.614 12.563 ( -0.277 -0.000 -1.135) 1.169 12.653 ( 1.291 0.000 -1.802) 2.217 12.703 ( 2.156 0.000 -3.675) 4.261 12.846 ( -0.621 -0.000 2.069) 2.160 12.903 ( 0.936 0.000 -1.231) 1.547 13.030 ( -0.533 -0.000 0.224) 0.578 13.101 ( -0.856 -0.000 -1.658) 1.866 13.304 ( 1.757 0.000 -3.379) 3.809 13.410 ( 2.629 0.000 -1.274) 2.922 13.411 ( 0.334 0.000 -1.923) 1.952 ======================= Grid point 75 (35/97) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 97 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( 2.198 0.000 19.819) 19.940 1.107 ( 15.734 0.000 24.641) 29.236 1.816 ( -19.537 -0.000 32.229) 37.688 1.935 ( 6.565 0.000 0.493) 6.583 2.260 ( -3.071 -0.000 8.268) 8.820 2.357 ( -4.302 -0.000 0.740) 4.365 2.445 ( -3.363 -0.000 9.974) 10.526 2.630 ( -2.287 -0.000 1.335) 2.648 2.737 ( -3.194 -0.000 2.701) 4.183 2.891 ( -3.018 -0.000 -1.615) 3.423 2.913 ( -9.669 -0.000 4.069) 10.491 3.128 ( 2.964 0.000 3.680) 4.726 3.278 ( -0.544 -0.000 1.221) 1.336 3.393 ( 4.694 0.000 0.012) 4.694 3.487 ( -2.329 -0.000 4.757) 5.297 3.523 ( -1.786 -0.000 -4.056) 4.432 3.614 ( -2.191 -0.000 0.594) 2.270 3.662 ( 3.206 0.000 -0.813) 3.308 3.762 ( 4.892 0.000 -1.830) 5.223 3.832 ( -2.120 -0.000 -0.275) 2.138 4.006 ( 6.916 0.000 -10.949) 12.950 4.109 ( -6.063 -0.000 -0.845) 6.121 4.150 ( 2.738 0.000 -1.945) 3.358 4.211 ( -1.459 -0.000 0.119) 1.463 4.363 ( 2.588 0.000 3.921) 4.698 4.435 ( 7.046 0.000 1.832) 7.280 4.622 ( 2.856 0.000 -2.951) 4.107 4.654 ( 4.700 0.000 1.900) 5.069 4.990 ( -2.135 -0.000 -1.051) 2.380 5.050 ( -4.651 -0.000 -2.866) 5.464 5.147 ( -0.408 -0.000 -3.005) 3.032 5.210 ( 0.119 0.000 0.380) 0.398 5.311 ( 0.779 0.000 -0.162) 0.796 5.407 ( 2.644 0.000 2.312) 3.512 5.497 ( -3.219 -0.000 -3.851) 5.019 5.540 ( -7.975 -0.000 -0.965) 8.033 5.663 ( -3.212 -0.000 3.515) 4.762 5.784 ( 0.798 0.000 -1.575) 1.766 5.786 ( -4.428 -0.000 0.225) 4.434 5.811 ( -2.739 -0.000 -4.019) 4.863 5.871 ( 3.595 0.000 -4.716) 5.930 6.019 ( 0.023 0.000 -2.563) 2.563 6.375 ( -0.399 -0.000 -2.659) 2.689 6.428 ( 2.100 0.000 0.274) 2.118 6.455 ( 7.577 0.000 -3.889) 8.517 6.673 ( 6.044 0.000 -3.823) 7.152 6.783 ( -1.759 -0.000 4.362) 4.703 6.962 ( -5.637 -0.000 2.632) 6.221 7.217 ( 0.840 0.000 2.222) 2.375 7.238 ( 0.382 0.000 -0.481) 0.614 7.484 ( -0.848 -0.000 0.138) 0.859 7.648 ( 6.957 0.000 -2.298) 7.327 7.776 ( -2.943 -0.000 -2.785) 4.052 7.785 ( -3.447 -0.000 4.703) 5.831 8.111 ( 2.896 0.000 -0.910) 3.036 8.515 ( 0.472 0.000 -3.757) 3.787 9.973 ( 0.505 0.000 2.088) 2.148 10.199 ( -0.278 -0.000 -0.178) 0.330 10.255 ( -0.499 -0.000 -3.340) 3.377 10.375 ( 0.117 0.000 -0.755) 0.764 10.418 ( 0.352 0.000 -0.515) 0.624 10.486 ( 2.549 0.000 0.213) 2.558 10.668 ( -0.297 -0.000 -0.046) 0.301 10.680 ( 1.328 0.000 0.247) 1.351 10.990 ( -0.519 -0.000 -0.179) 0.549 11.123 ( -0.461 -0.000 0.317) 0.559 11.137 ( 0.184 0.000 1.542) 1.553 11.576 ( -3.787 -0.000 -7.669) 8.553 11.925 ( 0.024 0.000 1.037) 1.038 12.002 ( 0.639 0.000 0.293) 0.703 12.141 ( -1.146 -0.000 1.658) 2.016 12.212 ( -0.016 -0.000 -2.047) 2.047 12.387 ( -1.077 -0.000 1.411) 1.775 12.508 ( 0.042 0.000 -1.686) 1.686 12.514 ( 1.182 0.000 -1.843) 2.190 12.579 ( 2.533 0.000 -5.681) 6.220 12.666 ( -0.124 -0.000 -0.353) 0.374 12.900 ( 1.529 0.000 -0.796) 1.724 12.914 ( 0.442 0.000 1.572) 1.633 13.006 ( 0.015 0.000 -1.168) 1.168 13.031 ( 1.197 0.000 -2.948) 3.182 13.215 ( 3.002 0.000 -5.815) 6.544 13.334 ( 0.376 0.000 -3.134) 3.156 13.389 ( 1.847 0.000 -3.302) 3.784 ======================= Grid point 76 (36/97) ======================= q-point: ( 0.17 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 6.814 -9.177 19.184) 22.331 1.433 ( 8.808 -2.422 22.936) 24.688 1.911 ( -1.442 -12.626 15.679) 20.182 1.976 ( -1.144 2.067 4.712) 5.271 2.279 ( -5.056 -0.823 10.030) 11.262 2.332 ( -5.085 -3.002 1.913) 6.207 2.488 ( -2.655 -5.876 5.156) 8.256 2.562 ( -5.487 5.227 1.667) 7.760 2.688 ( -4.353 4.353 5.426) 8.206 2.786 ( -1.925 -2.963 2.992) 4.630 2.903 ( -6.405 -3.895 2.413) 7.876 3.172 ( -2.861 0.663 2.763) 4.033 3.210 ( 2.510 8.118 -0.662) 8.522 3.393 ( -1.510 5.100 3.560) 6.401 3.467 ( -1.444 -1.538 1.921) 2.853 3.514 ( 2.443 -2.018 -0.844) 3.279 3.607 ( 0.722 0.151 -0.345) 0.814 3.744 ( 3.476 -5.495 -1.929) 6.782 3.799 ( -0.892 -0.062 -1.921) 2.118 3.886 ( 0.956 -6.051 -6.019) 8.588 4.003 ( -3.390 5.457 -1.241) 6.543 4.042 ( 4.352 -4.650 -3.662) 7.346 4.190 ( 2.036 -0.028 -2.107) 2.930 4.242 ( 3.974 -3.743 0.474) 5.480 4.387 ( 3.855 4.126 2.621) 6.225 4.516 ( 3.766 2.687 4.787) 6.657 4.672 ( 4.070 -0.121 -1.904) 4.494 4.684 ( 4.623 1.667 -0.023) 4.914 4.936 ( -3.948 3.881 -3.413) 6.504 4.969 ( -3.368 1.408 -0.351) 3.667 5.089 ( -1.010 3.899 -2.201) 4.590 5.220 ( 1.040 0.439 -0.953) 1.477 5.271 ( -0.240 4.665 0.365) 4.685 5.362 ( -6.864 3.348 -2.711) 8.104 5.424 ( -2.238 0.553 -0.895) 2.473 5.483 ( -1.808 -2.844 -1.998) 3.917 5.641 ( -3.360 1.235 2.955) 4.641 5.713 ( -2.161 -0.220 -1.008) 2.395 5.808 ( -1.534 -3.471 -4.981) 6.262 5.834 ( 2.377 -4.386 -3.684) 6.202 5.919 ( 4.127 -3.171 -0.730) 5.255 6.005 ( 2.373 1.564 -1.843) 3.387 6.309 ( -1.212 6.338 -2.102) 6.786 6.376 ( 3.241 8.237 -0.865) 8.894 6.539 ( 3.642 11.705 -2.287) 12.470 6.567 ( 0.912 -1.498 -0.157) 1.761 6.865 ( -2.071 -1.523 4.974) 5.599 6.918 ( -2.459 -2.066 1.105) 3.396 7.225 ( 0.641 -0.693 -0.944) 1.335 7.334 ( 1.993 -10.072 -0.549) 10.282 7.527 ( -1.556 -7.189 0.637) 7.383 7.670 ( -1.253 3.012 -0.466) 3.296 7.785 ( 3.427 -7.729 -1.333) 8.560 7.857 ( -0.733 -7.352 1.434) 7.526 8.133 ( 0.211 -1.000 -0.264) 1.055 8.471 ( 1.550 5.099 -3.907) 6.608 9.993 ( 0.929 -0.072 1.884) 2.101 10.172 ( 0.248 3.922 -0.025) 3.930 10.238 ( -0.505 -1.133 -2.488) 2.780 10.360 ( -0.401 1.273 -1.493) 2.003 10.406 ( 0.661 1.870 -0.506) 2.047 10.515 ( 2.372 0.407 -0.158) 2.412 10.661 ( -0.195 0.206 -0.075) 0.294 10.701 ( 0.499 -0.718 0.392) 0.958 10.984 ( -0.033 0.411 0.583) 0.714 11.108 ( -1.088 0.244 0.327) 1.162 11.148 ( -0.950 -0.025 0.459) 1.055 11.494 ( -3.419 -1.654 -6.767) 7.760 11.945 ( 0.588 -1.335 1.402) 2.023 12.020 ( 0.824 -0.936 0.037) 1.248 12.126 ( -1.333 0.956 1.680) 2.348 12.192 ( -0.240 0.873 -2.018) 2.211 12.383 ( -1.567 -0.621 1.367) 2.171 12.475 ( 0.426 2.680 -1.154) 2.949 12.531 ( 1.183 -0.837 -2.680) 3.046 12.571 ( 1.976 0.592 -5.361) 5.745 12.676 ( -0.079 -1.897 -0.439) 1.949 12.876 ( 0.751 3.615 -0.105) 3.693 12.941 ( 0.206 -1.280 0.481) 1.383 12.989 ( 0.302 1.054 -1.131) 1.575 13.076 ( 2.291 -4.305 -3.326) 5.903 13.221 ( 2.887 -0.152 -5.535) 6.244 13.323 ( 0.829 0.082 -3.601) 3.696 13.380 ( 0.821 1.008 -2.905) 3.182 ======================= Grid point 77 (37/97) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 1.759 -3.597 17.854) 18.297 1.695 ( 10.141 -5.208 13.258) 17.486 1.866 ( -9.071 7.680 7.318) 13.958 2.081 ( -2.335 -1.497 0.224) 2.783 2.233 ( -11.731 2.621 8.195) 14.548 2.308 ( -1.038 -3.213 1.044) 3.534 2.473 ( 3.143 -3.140 -6.114) 7.558 2.587 ( -2.593 -6.332 9.416) 11.640 2.800 ( -4.415 -17.523 10.464) 20.882 2.845 ( -1.194 -2.622 2.990) 4.153 2.890 ( -2.455 -1.201 4.592) 5.344 3.050 ( -2.567 5.679 -0.358) 6.243 3.184 ( 1.457 4.699 3.371) 5.964 3.300 ( -4.911 5.916 4.158) 8.741 3.504 ( -0.597 -3.260 2.340) 4.057 3.570 ( -0.672 -4.899 -0.753) 5.002 3.639 ( 3.768 2.946 1.458) 5.000 3.740 ( -0.662 9.598 -2.246) 9.879 3.825 ( 3.255 1.162 2.903) 4.514 3.875 ( 0.530 -0.739 -4.227) 4.323 3.923 ( -2.581 -1.088 1.926) 3.399 4.126 ( 1.325 2.898 -0.860) 3.301 4.181 ( -2.735 -0.423 -5.764) 6.394 4.231 ( 3.109 4.419 -0.869) 5.473 4.463 ( 4.265 -0.511 3.549) 5.572 4.539 ( 4.048 -3.098 0.972) 5.189 4.660 ( 3.581 4.292 -1.706) 5.845 4.702 ( -0.681 2.188 -4.148) 4.739 4.878 ( 1.411 -3.450 -0.700) 3.793 4.931 ( -1.593 -0.092 -1.753) 2.370 5.022 ( 0.407 3.033 -1.996) 3.654 5.180 ( 1.224 4.624 0.097) 4.784 5.245 ( -2.999 0.098 -1.776) 3.486 5.269 ( -1.110 -1.028 1.332) 2.016 5.389 ( -3.780 -1.440 -2.090) 4.552 5.496 ( -1.500 -2.239 -2.359) 3.582 5.600 ( -2.792 -0.762 2.582) 3.878 5.725 ( 1.561 -1.859 -1.420) 2.812 5.802 ( 1.610 -1.389 -3.786) 4.342 5.920 ( 1.373 -5.204 -3.875) 6.632 5.982 ( 2.413 0.554 -1.815) 3.070 6.054 ( 4.711 -5.188 -0.132) 7.009 6.171 ( 1.276 13.413 -1.476) 13.554 6.295 ( 2.823 5.480 -2.162) 6.532 6.379 ( -3.273 8.543 -0.337) 9.155 6.614 ( 0.455 -0.698 0.463) 0.953 6.848 ( -3.649 -0.406 5.049) 6.243 6.910 ( -2.024 2.565 0.270) 3.279 7.268 ( 1.606 -4.149 -2.123) 4.929 7.430 ( 2.661 0.742 -3.913) 4.790 7.613 ( 0.476 -9.858 0.507) 9.882 7.730 ( -0.237 -9.903 -0.482) 9.917 7.859 ( -0.820 -3.045 0.367) 3.175 7.953 ( 1.339 -1.226 1.266) 2.214 8.153 ( -2.042 -4.922 -0.259) 5.335 8.385 ( 2.812 7.984 -3.481) 9.153 10.016 ( 0.595 -0.790 1.388) 1.704 10.108 ( -0.556 5.025 -0.022) 5.056 10.250 ( 0.760 -1.724 -1.105) 2.184 10.328 ( -0.604 0.565 -1.895) 2.067 10.381 ( 1.291 2.944 -0.719) 3.294 10.521 ( 0.931 1.448 -1.088) 2.036 10.659 ( -0.137 -0.328 -0.153) 0.386 10.709 ( -0.187 0.166 0.264) 0.364 10.980 ( -0.419 0.831 1.266) 1.571 11.103 ( -0.796 -0.956 0.084) 1.247 11.121 ( -1.420 0.779 0.008) 1.619 11.491 ( 0.176 -4.676 -4.175) 6.271 11.982 ( 0.231 -1.827 1.490) 2.369 12.031 ( -0.095 0.805 0.712) 1.079 12.119 ( -0.221 -0.855 0.518) 1.024 12.166 ( 0.076 1.240 -1.732) 2.132 12.383 ( -1.669 -1.560 0.973) 2.483 12.440 ( 0.750 2.777 -0.534) 2.926 12.533 ( 1.552 0.160 -3.935) 4.234 12.560 ( 1.605 0.219 -4.177) 4.480 12.707 ( 0.202 -2.937 -0.531) 2.991 12.829 ( 0.069 3.853 -0.356) 3.870 12.962 ( -0.067 -1.470 0.171) 1.482 12.974 ( 0.412 1.164 -0.897) 1.526 13.138 ( 2.284 -3.277 -3.531) 5.331 13.222 ( 2.406 0.813 -4.671) 5.317 13.313 ( 1.682 0.365 -4.265) 4.599 13.361 ( 0.414 0.443 -2.642) 2.711 ======================= Grid point 78 (38/97) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( -9.184 12.392 3.494) 15.815 1.618 ( -1.738 6.211 8.865) 10.963 1.827 ( -16.582 7.828 9.396) 20.604 2.110 ( 8.993 -9.237 8.636) 15.517 2.204 ( -1.787 -2.498 0.885) 3.196 2.354 ( 0.302 -1.058 0.679) 1.293 2.509 ( 3.242 2.188 1.639) 4.241 2.731 ( -0.871 -11.564 1.740) 11.726 2.822 ( -3.287 1.374 3.061) 4.697 2.854 ( -4.686 2.825 0.038) 5.472 2.956 ( 1.832 -3.475 4.418) 5.911 3.113 ( -9.663 -1.769 11.509) 15.131 3.135 ( 3.185 10.011 2.633) 10.830 3.224 ( -2.865 -10.296 0.566) 10.702 3.373 ( -7.407 22.282 12.178) 26.451 3.548 ( -1.462 -3.599 2.622) 4.687 3.667 ( 0.227 -4.455 2.816) 5.275 3.700 ( 2.246 -1.518 -2.007) 3.373 3.828 ( -1.654 2.762 1.468) 3.538 3.857 ( -0.467 2.435 1.292) 2.796 3.974 ( 2.814 -5.981 -6.583) 9.329 4.028 ( 0.990 3.424 0.197) 3.569 4.198 ( 0.856 -3.044 -3.012) 4.367 4.250 ( 4.870 1.291 -4.539) 6.781 4.434 ( -1.977 4.465 1.124) 5.011 4.568 ( 2.557 10.726 -4.555) 11.931 4.628 ( -3.558 0.066 -3.559) 5.034 4.700 ( 4.101 -1.635 1.744) 4.747 4.918 ( 1.932 -2.821 -3.806) 5.116 4.974 ( 1.690 -5.706 -1.546) 6.149 5.030 ( 1.235 -3.034 1.794) 3.735 5.174 ( -0.233 -1.808 1.013) 2.085 5.199 ( -3.012 -1.136 -1.464) 3.536 5.313 ( 1.598 -0.468 1.526) 2.259 5.387 ( -1.099 -5.827 -0.326) 5.938 5.486 ( -2.019 -1.802 0.495) 2.751 5.612 ( 2.539 0.266 0.061) 2.554 5.770 ( 2.021 -1.666 -3.033) 4.007 5.871 ( 1.723 -7.549 -2.563) 8.156 5.910 ( 0.947 1.842 -1.978) 2.864 5.980 ( -0.707 8.606 -1.056) 8.699 6.027 ( 1.078 1.579 -0.286) 1.933 6.187 ( -1.295 -2.338 1.037) 2.867 6.242 ( 2.935 1.144 -3.230) 4.512 6.292 ( 4.207 -0.207 -5.219) 6.707 6.593 ( -3.961 1.565 0.690) 4.314 6.812 ( -5.281 2.230 1.668) 5.970 6.875 ( 0.266 -0.676 3.860) 3.928 7.309 ( 3.476 1.865 -2.507) 4.674 7.421 ( 1.324 -1.018 -4.885) 5.163 7.745 ( 3.880 -3.623 -2.797) 6.001 7.805 ( -2.338 -1.236 2.463) 3.614 7.899 ( -1.196 8.998 2.358) 9.379 7.905 ( -0.830 -5.904 -0.242) 5.967 8.178 ( 1.517 3.899 -1.281) 4.375 8.333 ( 0.181 -2.792 -2.269) 3.602 10.031 ( -0.524 3.380 0.627) 3.477 10.054 ( -0.660 -2.353 0.931) 2.615 10.287 ( 1.064 -2.758 -0.926) 3.098 10.313 ( 0.486 0.289 -2.584) 2.645 10.365 ( 1.411 0.812 0.305) 1.656 10.485 ( -0.944 2.133 -2.540) 3.448 10.664 ( 0.200 -0.345 -0.187) 0.440 10.700 ( -0.263 0.691 0.196) 0.765 10.967 ( -0.652 0.880 1.882) 2.177 11.110 ( -1.088 -1.031 1.360) 2.024 11.117 ( 1.028 -0.537 -0.625) 1.317 11.554 ( 2.218 -4.768 -3.255) 6.185 12.000 ( -1.610 0.036 1.280) 2.057 12.015 ( 0.271 1.100 1.200) 1.650 12.134 ( 0.301 0.493 -0.160) 0.599 12.156 ( 0.387 -1.840 -1.308) 2.290 12.399 ( -0.789 -2.223 0.380) 2.390 12.417 ( 0.735 1.671 0.192) 1.835 12.529 ( 1.845 -0.016 -4.207) 4.594 12.557 ( 1.728 -0.087 -4.088) 4.439 12.751 ( 0.620 -3.239 -0.536) 3.341 12.775 ( -0.214 3.636 -0.449) 3.670 12.958 ( 0.425 1.418 -0.479) 1.556 12.980 ( -0.237 -1.509 -0.292) 1.555 13.166 ( 1.609 0.542 -3.793) 4.156 13.211 ( 2.008 0.353 -4.153) 4.626 13.315 ( 2.591 -0.290 -3.972) 4.751 13.352 ( 0.611 -0.313 -2.958) 3.037 ======================= Grid point 79 (39/97) ======================= q-point: (-0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -16.708 16.842 7.200) 24.792 1.453 ( -9.654 20.550 6.132) 23.518 1.723 ( 5.572 1.235 6.857) 8.922 2.180 ( -6.299 1.741 0.930) 6.601 2.299 ( -3.236 5.262 11.100) 12.703 2.382 ( 0.783 -10.604 3.186) 11.100 2.569 ( 2.119 -1.746 2.045) 3.423 2.664 ( -4.697 9.307 4.564) 11.380 2.752 ( -5.489 12.239 10.928) 17.302 2.866 ( -4.788 7.475 9.297) 12.855 2.958 ( 0.455 -12.676 0.426) 12.691 3.009 ( -1.144 1.600 4.429) 4.846 3.106 ( -2.019 -3.493 4.195) 5.820 3.256 ( 3.688 2.093 1.882) 4.639 3.391 ( -4.123 -9.993 1.620) 10.931 3.589 ( -1.049 -1.346 -1.598) 2.338 3.678 ( 0.951 -0.222 2.643) 2.818 3.751 ( -2.973 0.825 -1.283) 3.342 3.805 ( 2.126 -1.226 3.185) 4.021 3.856 ( 0.111 -3.934 -2.213) 4.515 3.962 ( -0.047 4.803 0.013) 4.803 4.087 ( 5.700 -3.706 -6.988) 9.750 4.211 ( -1.112 -1.299 -6.112) 6.346 4.262 ( 5.991 5.248 4.107) 8.961 4.347 ( -3.950 3.201 0.914) 5.165 4.413 ( 1.318 8.894 -4.124) 9.892 4.576 ( -2.326 -0.659 -4.167) 4.818 4.689 ( 0.676 4.664 -0.908) 4.799 5.009 ( 2.759 -4.225 -2.174) 5.494 5.055 ( 0.719 -7.655 -1.263) 7.791 5.103 ( -0.080 -3.223 1.805) 3.695 5.152 ( -4.057 -1.230 -3.370) 5.416 5.233 ( 0.225 -4.902 1.373) 5.095 5.374 ( 2.113 -2.472 1.265) 3.490 5.416 ( -3.100 -2.140 1.555) 4.076 5.543 ( 0.192 -5.455 2.658) 6.071 5.689 ( 8.009 -1.107 1.081) 8.157 5.728 ( -1.711 4.442 -1.443) 4.974 5.881 ( 0.534 1.053 -2.206) 2.502 5.898 ( -0.271 -1.091 -4.083) 4.235 5.981 ( -1.891 3.377 -1.210) 4.055 6.017 ( 1.553 -3.567 -2.298) 4.519 6.135 ( -2.519 -6.446 0.492) 6.938 6.330 ( -0.302 -6.891 -2.819) 7.451 6.378 ( 9.115 -1.711 -5.546) 10.806 6.503 ( -3.743 1.852 -1.193) 4.343 6.764 ( -1.886 -0.519 2.962) 3.549 6.926 ( 0.048 -2.799 4.039) 4.914 7.280 ( 2.633 4.792 -2.553) 6.035 7.414 ( 0.632 2.182 -4.227) 4.799 7.683 ( 1.946 14.613 -1.138) 14.786 7.765 ( -5.411 0.659 2.901) 6.175 7.815 ( 1.851 6.369 0.039) 6.633 7.949 ( -1.375 -1.484 0.981) 2.248 8.095 ( 5.022 9.076 -2.952) 10.785 8.414 ( -1.573 -9.472 -1.554) 9.726 9.984 ( -0.810 2.283 1.021) 2.629 10.109 ( -0.827 -5.527 0.836) 5.651 10.298 ( 0.465 0.463 -2.920) 2.993 10.335 ( 1.207 -2.850 -0.786) 3.193 10.395 ( 1.818 -1.122 -0.038) 2.136 10.435 ( -0.768 0.926 -1.862) 2.217 10.665 ( 0.535 0.612 -0.501) 0.955 10.690 ( -0.124 0.528 0.174) 0.570 10.970 ( -0.299 -0.435 2.272) 2.332 11.116 ( -0.723 -0.438 0.698) 1.096 11.134 ( 1.284 0.087 -0.055) 1.288 11.617 ( 2.078 -3.128 -3.976) 5.469 11.970 ( -1.447 1.646 0.513) 2.251 12.013 ( -0.201 0.675 0.824) 1.084 12.128 ( -0.483 -0.015 1.012) 1.122 12.188 ( 0.589 -2.421 -1.467) 2.891 12.400 ( 0.485 1.412 0.991) 1.792 12.439 ( -0.007 -3.282 -0.501) 3.320 12.532 ( 1.741 -0.175 -3.606) 4.008 12.560 ( 2.326 -0.469 -4.853) 5.402 12.724 ( -0.265 3.118 -0.368) 3.150 12.801 ( 0.927 -3.166 -0.372) 3.320 12.941 ( 0.442 1.671 0.035) 1.728 12.993 ( -0.285 -1.326 -0.777) 1.563 13.128 ( 1.120 3.677 -3.528) 5.218 13.215 ( 2.299 -0.100 -5.010) 5.513 13.338 ( 2.562 -1.142 -3.264) 4.303 13.350 ( 0.994 -0.546 -3.179) 3.375 ======================= Grid point 80 (40/97) ======================= q-point: (-0.17 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( -3.212 6.032 20.176) 21.302 1.108 ( -2.911 23.836 14.757) 28.185 1.827 ( 8.290 -0.040 1.339) 8.398 1.989 ( -18.328 9.833 22.403) 30.570 2.267 ( -3.263 1.138 7.594) 8.343 2.436 ( -4.248 2.038 -1.331) 4.896 2.481 ( -4.494 9.243 14.985) 18.171 2.601 ( -3.618 -5.642 1.419) 6.851 2.743 ( -1.561 -3.645 3.899) 5.561 2.857 ( -1.947 -3.557 2.126) 4.579 2.982 ( -4.336 0.296 5.667) 7.142 3.092 ( 4.489 -1.036 -1.832) 4.958 3.208 ( 0.591 -7.764 3.832) 8.678 3.312 ( 4.177 -1.499 1.268) 4.616 3.437 ( -4.523 -5.131 4.663) 8.278 3.558 ( -0.311 1.283 -2.743) 3.044 3.658 ( -0.420 2.243 -0.357) 2.309 3.703 ( -0.579 6.085 -1.484) 6.290 3.806 ( 3.199 4.795 -0.500) 5.786 3.883 ( 1.848 7.581 -1.529) 7.951 3.949 ( 3.016 -5.315 -3.451) 7.018 4.114 ( -1.873 -3.466 -3.247) 5.106 4.178 ( 0.945 -0.453 -6.576) 6.659 4.251 ( -3.295 2.359 1.394) 4.286 4.309 ( 2.586 1.054 0.879) 2.928 4.380 ( 3.291 1.632 3.430) 5.026 4.572 ( 2.538 -2.326 -1.971) 3.967 4.638 ( 1.364 2.910 -2.104) 3.841 5.022 ( -1.935 -0.247 -1.782) 2.642 5.109 ( -3.837 -1.484 -3.423) 5.352 5.136 ( -0.685 -3.251 -1.314) 3.573 5.174 ( 2.054 -5.433 -0.029) 5.808 5.286 ( -0.859 -1.919 0.127) 2.106 5.372 ( 1.396 1.024 1.703) 2.428 5.483 ( 0.029 -4.897 0.764) 4.956 5.623 ( -1.418 -0.736 0.313) 1.628 5.637 ( -5.248 -3.884 1.363) 6.670 5.791 ( 5.185 2.272 2.303) 6.112 5.842 ( -4.198 3.307 -0.094) 5.345 5.855 ( -0.485 -0.083 -4.195) 4.223 5.932 ( -1.590 2.438 -5.911) 6.589 6.007 ( -1.192 -3.573 -2.087) 4.306 6.287 ( 4.107 -9.126 -0.947) 10.052 6.385 ( -2.857 -2.823 -2.749) 4.867 6.429 ( 6.198 -2.500 -4.674) 8.155 6.529 ( 4.223 -4.960 -1.394) 6.662 6.798 ( 1.207 -0.420 2.927) 3.193 6.975 ( -2.925 -3.124 4.180) 5.982 7.239 ( 0.279 1.672 -2.149) 2.737 7.305 ( 0.758 11.103 -1.332) 11.208 7.528 ( 1.256 8.611 0.451) 8.714 7.696 ( 2.107 10.144 -1.405) 10.455 7.748 ( -3.193 -2.044 1.527) 4.087 7.896 ( -2.831 5.312 0.669) 6.056 8.079 ( 5.068 1.722 -1.763) 5.636 8.495 ( -0.551 -5.631 -2.733) 6.283 9.965 ( -0.293 0.699 1.651) 1.817 10.175 ( -0.948 -4.746 0.143) 4.842 10.279 ( 0.245 0.615 -3.165) 3.233 10.371 ( 0.742 -0.859 -0.930) 1.468 10.404 ( 0.149 -1.164 -1.084) 1.598 10.453 ( 2.181 -0.721 0.464) 2.343 10.661 ( 0.561 0.215 -0.364) 0.702 10.683 ( 0.329 0.989 0.100) 1.047 10.988 ( -0.478 -1.110 0.974) 1.552 11.115 ( -0.361 -0.234 0.627) 0.760 11.141 ( 0.784 1.047 0.591) 1.435 11.632 ( -0.440 -1.310 -5.962) 6.120 11.936 ( -1.213 1.181 0.598) 1.795 12.003 ( 0.245 1.034 0.371) 1.125 12.135 ( -0.833 -0.987 1.617) 2.070 12.211 ( 0.401 -1.317 -1.796) 2.263 12.393 ( -0.314 0.710 1.292) 1.507 12.480 ( 0.371 -2.903 -1.140) 3.141 12.531 ( 1.183 0.638 -2.731) 3.044 12.572 ( 2.770 -0.604 -5.420) 6.117 12.684 ( -0.232 2.057 -0.286) 2.090 12.853 ( 1.086 -3.074 -0.114) 3.262 12.925 ( 0.574 1.876 0.566) 2.041 13.001 ( -0.219 -1.141 -1.120) 1.614 13.071 ( 1.079 3.829 -3.239) 5.130 13.214 ( 2.742 0.356 -5.575) 6.224 13.345 ( 0.584 -0.293 -3.263) 3.327 13.372 ( 2.489 -1.110 -3.083) 4.115 ======================= Grid point 82 (41/97) ======================= q-point: ( 0.17 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 7.438 0.000 17.473) 18.990 1.616 ( 1.141 0.000 26.068) 26.092 1.958 ( 7.838 0.000 13.400) 15.524 1.994 ( -4.932 -0.000 7.019) 8.578 2.232 ( -7.372 -0.000 0.346) 7.380 2.291 ( -3.295 -0.000 10.157) 10.678 2.439 ( -2.160 -0.000 5.074) 5.515 2.591 ( -7.292 -0.000 3.429) 8.058 2.628 ( -10.128 -0.000 -0.834) 10.162 2.772 ( -1.931 -0.000 7.607) 7.849 2.806 ( 1.351 0.000 2.353) 2.713 3.148 ( -4.376 -0.000 3.444) 5.569 3.320 ( 3.997 0.000 -0.690) 4.057 3.322 ( -5.807 -0.000 -4.879) 7.585 3.511 ( 1.272 0.000 -1.929) 2.311 3.516 ( -1.681 -0.000 7.353) 7.543 3.666 ( 2.993 0.000 0.668) 3.066 3.709 ( 2.233 0.000 -3.966) 4.551 3.775 ( -0.598 -0.000 -2.329) 2.405 3.796 ( 3.895 0.000 -5.128) 6.440 4.017 ( 2.770 0.000 -9.877) 10.258 4.019 ( -0.231 -0.000 0.282) 0.364 4.219 ( 2.000 0.000 1.045) 2.257 4.279 ( 6.730 0.000 2.453) 7.163 4.480 ( 1.856 0.000 4.921) 5.259 4.647 ( 8.279 0.000 2.418) 8.625 4.661 ( 2.794 0.000 -4.211) 5.054 4.785 ( 4.683 0.000 0.884) 4.766 4.925 ( -3.802 -0.000 -0.880) 3.902 4.948 ( -0.767 -0.000 0.892) 1.176 5.115 ( -0.206 -0.000 -2.050) 2.060 5.191 ( -1.462 -0.000 -0.433) 1.524 5.254 ( -6.486 -0.000 -7.664) 10.040 5.334 ( -1.918 -0.000 -1.639) 2.523 5.336 ( -4.772 -0.000 -1.943) 5.153 5.493 ( 2.229 0.000 -0.933) 2.416 5.608 ( -4.559 -0.000 2.243) 5.081 5.711 ( 0.652 0.000 0.617) 0.898 5.750 ( 1.096 0.000 -0.409) 1.170 5.793 ( 0.280 0.000 -1.928) 1.949 5.947 ( 3.017 0.000 -0.665) 3.089 6.034 ( 5.423 0.000 -5.868) 7.991 6.322 ( -1.376 -0.000 -1.910) 2.354 6.481 ( 2.254 0.000 -1.906) 2.951 6.503 ( -5.256 -0.000 1.198) 5.391 6.716 ( 2.036 0.000 -3.916) 4.414 6.799 ( -0.356 -0.000 3.171) 3.191 6.868 ( -2.627 -0.000 1.585) 3.068 7.250 ( 0.632 0.000 0.965) 1.154 7.276 ( 1.656 0.000 2.414) 2.928 7.453 ( -1.444 -0.000 -0.618) 1.570 7.687 ( -0.764 -0.000 -4.829) 4.889 7.776 ( -2.008 -0.000 5.605) 5.954 7.790 ( 5.799 0.000 -0.961) 5.878 8.118 ( -2.200 -0.000 0.816) 2.346 8.504 ( 2.602 0.000 -4.921) 5.567 10.020 ( 1.409 0.000 1.820) 2.302 10.189 ( -1.343 -0.000 -3.760) 3.993 10.224 ( 1.653 0.000 0.964) 1.913 10.365 ( -0.074 -0.000 -0.910) 0.913 10.417 ( -0.038 -0.000 -0.095) 0.102 10.538 ( 1.586 0.000 -1.112) 1.937 10.661 ( -0.354 -0.000 0.185) 0.399 10.699 ( -0.203 -0.000 0.244) 0.317 10.995 ( 0.898 0.000 0.580) 1.069 11.087 ( -2.003 -0.000 -1.316) 2.397 11.145 ( -1.043 -0.000 1.630) 1.935 11.399 ( -3.411 -0.000 -5.235) 6.249 11.953 ( 1.041 0.000 1.201) 1.590 12.023 ( 1.114 0.000 -0.742) 1.338 12.126 ( -1.441 -0.000 1.758) 2.273 12.180 ( -0.784 -0.000 -1.508) 1.700 12.368 ( -1.745 -0.000 1.638) 2.394 12.499 ( 0.792 0.000 -1.584) 1.771 12.517 ( 0.717 0.000 -1.808) 1.945 12.566 ( 1.607 0.000 -5.616) 5.842 12.660 ( -0.044 -0.000 -0.299) 0.302 12.920 ( 0.406 0.000 -0.252) 0.477 12.929 ( -0.328 -0.000 0.396) 0.514 13.003 ( 0.717 0.000 -1.087) 1.302 13.046 ( 2.752 0.000 -3.309) 4.304 13.225 ( 2.981 0.000 -5.622) 6.363 13.315 ( 1.072 0.000 -3.410) 3.574 13.376 ( -0.249 -0.000 -2.631) 2.643 ======================= Grid point 83 (42/97) ======================= q-point: ( 0.33 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 4.953 -6.126 14.960) 16.907 1.784 ( 2.221 -3.386 15.443) 15.965 1.909 ( -9.810 6.173 9.756) 15.150 2.068 ( -3.918 1.998 6.210) 7.609 2.153 ( -8.914 -0.409 11.033) 14.190 2.280 ( -1.177 -1.246 -0.534) 1.795 2.388 ( -1.232 2.352 -2.257) 3.485 2.523 ( -3.401 -6.582 9.863) 12.336 2.690 ( -6.548 -12.966 2.884) 14.809 2.794 ( 0.927 3.172 9.096) 9.678 2.897 ( 4.617 -3.917 3.115) 6.809 3.069 ( -3.622 5.295 -2.106) 6.752 3.239 ( -2.931 -0.237 -0.728) 3.030 3.320 ( -1.859 4.379 2.723) 5.482 3.505 ( -2.010 0.171 3.115) 3.711 3.525 ( 1.820 -0.843 -0.655) 2.110 3.675 ( 1.420 0.741 -1.684) 2.324 3.741 ( -0.957 -6.666 -3.109) 7.418 3.778 ( 3.416 -0.704 -4.431) 5.639 3.887 ( 4.894 -2.760 -8.551) 10.231 3.978 ( 0.590 2.825 1.933) 3.473 4.044 ( 1.016 -4.111 -3.342) 5.395 4.239 ( 2.880 3.847 2.897) 5.611 4.382 ( 4.490 2.415 3.103) 5.969 4.509 ( 1.066 -0.749 2.389) 2.721 4.629 ( 1.911 4.500 -1.234) 5.042 4.687 ( 0.163 10.553 -3.344) 11.071 4.800 ( 4.165 4.164 0.422) 5.904 4.859 ( 1.094 -0.752 -0.275) 1.356 4.936 ( 0.083 2.765 2.441) 3.689 5.058 ( 0.428 2.940 -3.263) 4.413 5.144 ( -5.347 -1.268 -6.137) 8.238 5.202 ( -2.749 -4.374 -1.994) 5.537 5.277 ( -0.278 2.296 1.556) 2.787 5.325 ( -0.238 -0.166 0.343) 0.449 5.471 ( 0.433 2.444 -2.684) 3.655 5.584 ( -2.214 -0.790 2.347) 3.322 5.720 ( 0.843 -0.583 0.687) 1.234 5.803 ( 3.416 -1.791 0.088) 3.858 5.853 ( 1.701 -5.097 -2.721) 6.023 5.989 ( 2.465 -3.380 -1.765) 4.541 6.058 ( 3.501 1.576 -2.941) 4.836 6.284 ( 1.870 3.260 -2.937) 4.770 6.359 ( -5.856 4.491 -0.964) 7.442 6.488 ( -3.741 5.838 0.618) 6.962 6.601 ( 1.495 6.662 -2.812) 7.384 6.824 ( -0.872 -0.569 2.202) 2.436 6.915 ( -1.077 -2.529 1.564) 3.163 7.251 ( 1.689 0.388 -0.348) 1.767 7.376 ( 2.066 -8.767 -1.019) 9.064 7.492 ( -1.377 -7.801 -0.364) 7.930 7.654 ( 1.217 -0.864 -3.408) 3.721 7.804 ( -1.277 -3.243 2.802) 4.472 7.913 ( 2.873 -7.288 0.939) 7.890 8.089 ( -4.084 -0.607 1.458) 4.378 8.485 ( 3.461 4.344 -4.566) 7.190 10.037 ( 1.009 0.903 1.219) 1.822 10.145 ( -0.453 2.078 -2.923) 3.615 10.253 ( 1.814 -0.233 1.060) 2.114 10.333 ( -0.748 2.666 -0.647) 2.843 10.417 ( 0.667 0.746 -0.599) 1.166 10.532 ( -0.253 1.019 -2.542) 2.750 10.657 ( -0.210 0.066 0.345) 0.409 10.699 ( -0.833 -0.703 0.041) 1.091 10.999 ( 0.126 1.332 0.816) 1.568 11.073 ( -0.437 -1.752 -1.244) 2.193 11.123 ( -1.469 1.672 1.695) 2.797 11.393 ( -0.662 -5.633 -2.913) 6.376 11.977 ( 0.695 -0.650 1.277) 1.593 12.035 ( 0.864 -0.590 -1.188) 1.583 12.116 ( -0.751 0.364 1.265) 1.515 12.167 ( -0.270 0.117 -0.892) 0.939 12.357 ( -1.832 -0.318 1.581) 2.441 12.480 ( 0.936 2.284 -1.038) 2.677 12.528 ( 1.121 -0.713 -2.948) 3.233 12.554 ( 1.277 0.023 -4.718) 4.888 12.673 ( 0.159 -2.029 -0.233) 2.049 12.878 ( -0.412 3.907 -0.365) 3.945 12.942 ( -0.472 -1.303 0.214) 1.402 12.993 ( 0.921 1.333 -0.958) 1.882 13.099 ( 2.607 -3.885 -3.713) 5.973 13.230 ( 2.542 0.021 -5.092) 5.691 13.314 ( 1.912 -0.090 -3.910) 4.353 13.353 ( -0.622 0.373 -2.193) 2.310 ======================= Grid point 84 (43/97) ======================= q-point: (-0.50 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( -2.725 15.110 7.031) 16.887 1.724 ( -14.463 3.792 7.624) 16.783 1.759 ( -2.891 4.146 13.203) 14.137 2.103 ( 0.144 -6.422 7.239) 9.678 2.173 ( -2.231 -1.921 6.530) 7.163 2.351 ( 5.064 -3.225 1.833) 6.278 2.473 ( -3.366 -17.023 1.657) 17.432 2.597 ( -1.254 -4.598 -0.239) 4.772 2.730 ( -6.117 -0.061 5.248) 8.060 2.836 ( -1.989 -0.868 6.072) 6.448 2.946 ( 0.526 0.743 1.815) 2.030 3.046 ( 0.482 -5.320 5.607) 7.744 3.202 ( -3.712 8.938 3.348) 10.241 3.263 ( 2.055 -3.867 -0.337) 4.392 3.507 ( -1.079 -0.933 0.404) 1.483 3.556 ( 0.026 -0.534 0.735) 0.909 3.669 ( -2.272 -0.618 -1.874) 3.009 3.737 ( 2.719 9.516 0.204) 9.899 3.813 ( -3.535 -0.917 0.068) 3.653 3.880 ( 2.137 0.541 -8.190) 8.481 3.968 ( 0.731 3.913 8.079) 9.006 4.091 ( -0.828 1.153 -0.692) 1.579 4.157 ( 3.192 4.465 -4.461) 7.073 4.329 ( 2.555 5.561 4.893) 7.835 4.474 ( -1.004 4.655 -1.660) 5.043 4.565 ( -3.985 0.842 -5.313) 6.694 4.667 ( 3.547 -1.796 -3.241) 5.129 4.795 ( 5.668 4.554 3.553) 8.092 4.877 ( -0.336 0.709 -1.664) 1.840 4.956 ( 3.965 -0.842 -1.124) 4.207 5.046 ( 1.526 -0.521 -0.210) 1.626 5.092 ( -2.655 -2.224 -3.132) 4.669 5.178 ( -3.873 -1.352 -2.982) 5.072 5.261 ( -0.531 -0.065 2.141) 2.207 5.394 ( 4.517 -2.374 4.040) 6.508 5.436 ( -1.318 -0.758 -1.868) 2.409 5.618 ( 0.953 -3.887 0.758) 4.073 5.749 ( 0.923 -1.867 -0.735) 2.208 5.840 ( 3.950 0.463 -2.453) 4.673 5.907 ( 1.344 -0.849 -3.842) 4.158 5.997 ( -1.235 -0.007 0.847) 1.498 6.091 ( -0.998 -1.497 0.429) 1.849 6.183 ( -3.638 7.606 -2.154) 8.703 6.303 ( 0.665 6.259 1.041) 6.379 6.350 ( 5.629 2.490 -6.223) 8.753 6.538 ( -4.083 1.307 -1.944) 4.707 6.821 ( -1.826 2.634 3.000) 4.390 6.902 ( 0.612 1.148 1.752) 2.182 7.295 ( 1.720 -4.505 -2.193) 5.297 7.440 ( 2.086 1.828 -4.768) 5.516 7.639 ( 0.774 -14.065 0.040) 14.086 7.717 ( -0.258 -7.106 -0.974) 7.177 7.838 ( -1.300 -2.583 1.601) 3.305 7.989 ( -0.697 3.004 2.638) 4.059 8.100 ( -1.587 -8.725 -0.248) 8.872 8.419 ( 3.122 8.349 -3.409) 9.544 10.037 ( -0.028 0.321 0.852) 0.911 10.090 ( 0.078 4.299 -0.962) 4.406 10.275 ( 1.124 0.149 -0.078) 1.136 10.305 ( 0.094 -0.364 -0.766) 0.853 10.401 ( 0.902 1.991 -0.669) 2.286 10.483 ( -1.302 1.984 -3.235) 4.012 10.662 ( 0.154 -0.481 0.530) 0.732 10.697 ( -0.661 -0.357 -0.197) 0.777 10.983 ( -0.465 1.104 1.272) 1.748 11.093 ( -0.319 -1.330 0.737) 1.553 11.114 ( 0.299 -0.677 0.730) 1.039 11.472 ( 1.117 -7.007 -2.881) 7.658 11.990 ( -0.911 -0.157 1.753) 1.982 12.041 ( 0.591 0.733 -0.064) 0.944 12.123 ( 0.295 -1.474 -0.318) 1.536 12.156 ( 0.401 1.096 -0.720) 1.372 12.358 ( -1.349 -1.864 1.229) 2.609 12.456 ( 0.781 2.307 -0.336) 2.459 12.529 ( 1.968 -0.003 -4.365) 4.788 12.548 ( 1.054 -0.440 -3.702) 3.875 12.712 ( 0.554 -3.195 -0.311) 3.258 12.817 ( -0.468 3.735 -0.577) 3.808 12.955 ( -0.477 -1.455 -0.083) 1.533 12.981 ( 0.908 1.410 -0.674) 1.807 13.153 ( 2.293 -2.738 -3.947) 5.323 13.221 ( 1.359 1.249 -4.236) 4.621 13.321 ( 2.763 -0.248 -4.054) 4.912 13.335 ( -0.072 -0.335 -2.563) 2.585 ======================= Grid point 85 (44/97) ======================= q-point: (-0.33 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( -1.619 24.158 12.238) 27.129 1.521 ( -15.832 6.116 12.645) 21.165 1.838 ( 3.360 -0.227 9.259) 9.853 2.157 ( -1.383 0.732 -0.508) 1.645 2.246 ( 1.635 -7.016 0.599) 7.229 2.427 ( 0.843 3.441 5.207) 6.298 2.516 ( -6.704 -2.390 0.369) 7.127 2.740 ( -2.037 2.143 -0.165) 2.962 2.771 ( 1.555 -14.918 1.828) 15.110 2.786 ( -1.196 -4.027 3.052) 5.193 3.022 ( -0.928 -4.821 4.927) 6.956 3.041 ( -5.376 6.481 6.186) 10.448 3.139 ( -2.571 8.214 11.095) 14.042 3.307 ( -5.332 14.444 11.719) 19.349 3.379 ( 8.058 0.808 -3.335) 8.758 3.559 ( -0.675 -1.225 3.931) 4.172 3.617 ( -5.953 -3.889 2.007) 7.388 3.675 ( -2.016 -2.051 -2.586) 3.868 3.794 ( 0.897 -0.978 1.667) 2.131 3.832 ( -0.972 -0.755 -4.293) 4.466 4.026 ( 0.564 2.180 3.888) 4.494 4.100 ( 5.524 -2.553 -5.570) 8.249 4.164 ( 1.494 -1.354 -7.660) 7.921 4.338 ( 0.523 0.722 1.591) 1.824 4.398 ( 1.963 5.820 1.022) 6.227 4.484 ( -4.882 0.013 -3.487) 6.000 4.599 ( 3.146 10.332 -3.624) 11.392 4.792 ( 2.456 6.996 -2.061) 7.696 4.926 ( 0.586 -8.578 -1.256) 8.690 4.980 ( 0.489 -1.508 -2.409) 2.883 5.050 ( -2.609 -0.718 -2.141) 3.451 5.121 ( 1.462 -0.440 -0.024) 1.527 5.155 ( -1.389 -4.972 -0.681) 5.207 5.328 ( 1.226 -4.420 4.422) 6.372 5.403 ( -0.947 0.100 0.258) 0.986 5.510 ( 2.032 -3.509 1.659) 4.382 5.710 ( 3.103 -5.081 -0.727) 5.998 5.759 ( -1.048 0.043 -1.928) 2.195 5.869 ( 0.873 3.012 -1.546) 3.496 5.909 ( 0.121 -4.661 -2.533) 5.306 5.958 ( 1.457 3.033 -2.331) 4.093 6.036 ( -4.809 2.106 2.746) 5.925 6.061 ( -0.740 4.423 -2.556) 5.162 6.258 ( 0.193 -0.773 0.264) 0.840 6.440 ( -2.316 2.868 -4.255) 5.630 6.452 ( 6.840 -4.456 -3.690) 8.958 6.778 ( -1.071 1.857 3.965) 4.508 6.933 ( 1.854 -0.680 1.336) 2.384 7.367 ( 0.282 -5.443 -2.976) 6.210 7.375 ( 2.076 6.558 -3.924) 7.919 7.731 ( -2.733 -0.323 -0.347) 2.773 7.822 ( 1.718 -3.502 0.175) 3.905 7.874 ( -0.878 -3.128 -0.183) 3.255 7.903 ( -0.678 6.165 2.583) 6.718 8.224 ( 1.926 -7.926 -1.160) 8.239 8.304 ( 0.308 8.367 -2.214) 8.660 10.027 ( -0.298 4.039 0.674) 4.105 10.053 ( -0.301 -2.321 1.069) 2.573 10.293 ( 0.559 -0.375 -1.792) 1.914 10.307 ( 0.784 -1.337 -1.437) 2.114 10.392 ( 0.022 -0.024 -1.938) 1.938 10.441 ( 0.797 0.882 -0.264) 1.217 10.674 ( 0.515 -0.079 0.084) 0.528 10.691 ( -0.429 -0.085 -0.013) 0.438 10.976 ( -0.610 0.271 1.710) 1.836 11.109 ( -0.381 -0.535 1.825) 1.940 11.136 ( 0.590 -1.316 -0.582) 1.555 11.550 ( 0.967 -4.951 -4.370) 6.674 11.984 ( -0.832 0.838 1.477) 1.891 12.029 ( -0.265 1.381 1.159) 1.822 12.138 ( -0.058 1.379 -0.108) 1.385 12.153 ( 0.653 -2.337 -1.251) 2.730 12.389 ( -0.299 -3.317 0.350) 3.349 12.432 ( 0.073 1.991 0.299) 2.015 12.532 ( 2.133 -0.143 -4.206) 4.719 12.551 ( 1.662 -0.755 -4.239) 4.615 12.755 ( -0.156 0.387 -0.331) 0.533 12.772 ( 0.673 -0.548 -0.642) 1.079 12.966 ( 0.194 -0.016 -0.465) 0.504 12.970 ( 0.261 0.194 -0.331) 0.464 13.168 ( 1.839 2.306 -3.507) 4.582 13.204 ( 1.466 -1.132 -4.523) 4.888 13.329 ( 0.692 -0.554 -3.391) 3.505 13.342 ( 2.537 -0.871 -3.424) 4.349 ======================= Grid point 86 (45/97) ======================= q-point: (-0.17 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 8.055 16.300 18.338) 25.824 1.365 ( -6.297 8.069 19.721) 22.219 1.918 ( 2.461 -1.064 4.451) 5.196 2.072 ( -1.659 9.731 0.928) 9.915 2.321 ( -3.435 1.095 2.571) 4.428 2.363 ( -1.616 -0.321 5.277) 5.528 2.540 ( -6.485 -5.128 3.691) 9.054 2.618 ( -2.985 6.237 -0.142) 6.916 2.759 ( -4.978 14.205 14.219) 20.706 2.834 ( -4.350 7.312 6.021) 10.423 2.951 ( -3.762 -2.209 4.773) 6.466 3.065 ( 3.742 -7.572 2.349) 8.767 3.105 ( -1.340 -8.136 1.435) 8.370 3.360 ( -4.092 -3.430 7.448) 9.164 3.424 ( 7.293 2.625 0.360) 7.759 3.555 ( -0.280 1.690 -2.147) 2.747 3.637 ( -1.200 -0.338 -1.964) 2.326 3.720 ( -1.036 -7.631 3.229) 8.350 3.817 ( -0.583 -1.112 -3.809) 4.011 3.872 ( 1.593 -5.107 0.983) 5.440 3.975 ( -1.422 1.174 1.707) 2.513 4.117 ( -0.446 5.492 -1.662) 5.755 4.171 ( 6.255 -1.171 -8.429) 10.562 4.285 ( -0.877 4.764 -1.732) 5.144 4.376 ( -0.111 5.425 -2.437) 5.948 4.433 ( 2.793 -0.260 3.945) 4.841 4.560 ( 3.593 -1.538 0.759) 3.981 4.719 ( 3.156 5.595 -4.221) 7.686 4.967 ( -5.676 -3.397 -3.767) 7.613 4.983 ( -1.346 -2.219 -2.183) 3.391 5.066 ( -1.477 -4.670 -0.613) 4.936 5.139 ( 2.675 -3.714 -2.109) 5.039 5.231 ( -0.498 -4.237 1.995) 4.710 5.381 ( -1.966 -2.067 -0.153) 2.857 5.411 ( -0.220 -1.402 1.793) 2.287 5.570 ( -1.817 -1.636 0.963) 2.628 5.650 ( -1.481 4.899 -1.121) 5.240 5.777 ( -5.220 -0.403 -0.871) 5.308 5.841 ( 0.232 0.571 -5.305) 5.341 5.897 ( 6.131 0.369 -0.893) 6.206 5.954 ( -0.140 4.172 -0.289) 4.184 5.968 ( -0.088 3.380 -3.579) 4.923 6.155 ( 2.616 -15.882 -0.567) 16.106 6.273 ( -2.209 -2.802 1.115) 3.738 6.417 ( 1.678 -4.234 -3.453) 5.715 6.550 ( 4.635 -0.859 -2.147) 5.180 6.811 ( 1.328 -2.817 4.659) 5.604 6.952 ( -0.833 0.387 1.313) 1.602 7.279 ( 0.228 5.623 -3.017) 6.385 7.410 ( 2.066 0.778 -2.971) 3.702 7.646 ( -4.514 6.211 1.919) 7.914 7.728 ( 0.761 10.289 0.195) 10.319 7.853 ( 1.591 4.558 -1.132) 4.958 7.928 ( -0.510 0.879 0.872) 1.339 8.170 ( 2.101 7.485 -1.549) 7.927 8.373 ( 0.302 -10.008 -2.144) 10.239 9.990 ( 0.141 1.973 1.460) 2.459 10.107 ( -0.187 -4.879 1.007) 4.986 10.270 ( -0.241 0.937 -2.589) 2.764 10.353 ( 1.334 -2.655 -1.812) 3.481 10.374 ( -0.766 -0.979 -1.699) 2.105 10.473 ( 2.479 -1.040 0.801) 2.805 10.667 ( -0.074 0.642 -0.533) 0.838 10.698 ( 0.516 -0.038 0.513) 0.729 10.978 ( -0.599 -0.323 1.381) 1.539 11.113 ( -0.575 0.153 1.100) 1.250 11.151 ( -0.137 -0.694 -0.262) 0.754 11.564 ( -1.114 -1.171 -6.175) 6.383 11.961 ( -0.109 2.399 1.297) 2.730 12.022 ( 0.052 0.472 1.021) 1.126 12.124 ( -0.768 0.122 1.062) 1.316 12.181 ( 0.340 -2.104 -1.843) 2.817 12.406 ( -0.832 1.467 0.856) 1.892 12.435 ( 0.191 -3.374 -0.588) 3.430 12.535 ( 1.657 -0.006 -3.527) 3.897 12.562 ( 2.226 -0.933 -4.882) 5.446 12.713 ( -0.191 2.867 -0.527) 2.921 12.820 ( 0.852 -3.431 -0.276) 3.546 12.954 ( 0.482 1.524 0.165) 1.607 12.979 ( -0.034 -1.131 -0.916) 1.456 13.125 ( 1.786 3.903 -3.348) 5.443 13.216 ( 2.414 -0.560 -5.063) 5.637 13.327 ( 0.848 -0.660 -3.770) 3.920 13.365 ( 1.839 -1.080 -2.982) 3.666 ======================= Grid point 89 (46/97) ======================= q-point: ( 0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 97 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( -0.330 -0.000 7.623) 7.630 1.787 ( -19.560 -0.000 9.384) 21.694 1.902 ( 0.343 0.000 20.546) 20.549 2.122 ( -0.239 -0.000 10.500) 10.503 2.138 ( -1.786 -0.000 7.348) 7.562 2.316 ( 1.346 0.000 -0.205) 1.362 2.422 ( -3.623 -0.000 3.802) 5.252 2.425 ( -3.936 -0.000 1.774) 4.318 2.521 ( -4.838 -0.000 7.070) 8.567 2.865 ( -1.665 -0.000 9.158) 9.308 2.944 ( 6.159 0.000 3.322) 6.998 3.080 ( -1.488 -0.000 -1.016) 1.802 3.154 ( -3.821 -0.000 -3.407) 5.120 3.409 ( 2.178 0.000 2.844) 3.582 3.484 ( -5.871 -0.000 3.304) 6.737 3.512 ( 1.648 0.000 -2.428) 2.935 3.617 ( -3.252 -0.000 -3.994) 5.150 3.686 ( 2.294 0.000 -7.962) 8.286 3.823 ( 5.230 0.000 -0.980) 5.321 3.880 ( 4.480 0.000 -7.483) 8.721 3.960 ( -0.124 -0.000 -5.061) 5.062 4.063 ( 0.951 0.000 3.520) 3.646 4.342 ( 4.582 0.000 5.308) 7.012 4.467 ( 6.293 0.000 3.292) 7.102 4.490 ( -2.924 -0.000 -0.463) 2.960 4.598 ( -1.092 -0.000 -9.748) 9.809 4.826 ( -3.931 -0.000 -1.330) 4.150 4.850 ( 5.756 0.000 -2.257) 6.183 4.901 ( 2.580 0.000 3.471) 4.325 4.997 ( 0.440 0.000 4.641) 4.662 5.038 ( -1.121 -0.000 -4.554) 4.690 5.052 ( -0.097 -0.000 -5.428) 5.429 5.127 ( -2.795 -0.000 -1.524) 3.184 5.323 ( 1.197 0.000 2.729) 2.980 5.325 ( 1.938 0.000 0.306) 1.963 5.509 ( 1.977 0.000 -2.143) 2.915 5.570 ( -1.518 -0.000 2.242) 2.708 5.747 ( -2.205 -0.000 -0.253) 2.220 5.760 ( 2.344 0.000 1.038) 2.563 5.863 ( 5.460 0.000 3.995) 6.765 5.989 ( 1.784 0.000 -2.060) 2.725 6.097 ( 2.798 0.000 -4.347) 5.170 6.240 ( -16.200 -0.000 3.939) 16.672 6.317 ( 4.504 0.000 -4.112) 6.099 6.479 ( 0.317 0.000 -4.231) 4.243 6.721 ( 1.777 0.000 -5.506) 5.786 6.831 ( 1.066 0.000 1.158) 1.574 6.862 ( 0.209 0.000 1.889) 1.900 7.280 ( 1.033 0.000 -0.198) 1.052 7.333 ( 1.101 0.000 1.495) 1.856 7.410 ( -1.032 -0.000 -1.385) 1.728 7.623 ( 0.072 0.000 -6.173) 6.174 7.800 ( -0.884 -0.000 4.537) 4.622 7.894 ( 3.052 0.000 0.521) 3.097 8.039 ( -5.810 -0.000 3.456) 6.760 8.534 ( 4.063 0.000 -4.601) 6.138 10.061 ( 0.537 0.000 0.648) 0.842 10.139 ( 0.898 0.000 -3.603) 3.713 10.278 ( 1.238 0.000 1.705) 2.107 10.360 ( 0.447 0.000 -0.429) 0.620 10.414 ( -0.320 -0.000 -0.039) 0.322 10.514 ( -1.228 -0.000 -3.547) 3.754 10.656 ( -0.191 -0.000 0.328) 0.379 10.679 ( -1.264 -0.000 -0.027) 1.265 11.019 ( -0.218 -0.000 0.396) 0.452 11.046 ( 0.389 0.000 -1.081) 1.149 11.137 ( -0.819 -0.000 2.235) 2.380 11.333 ( 0.388 0.000 -0.877) 0.959 11.992 ( 1.070 0.000 0.914) 1.407 12.030 ( 0.826 0.000 -2.126) 2.281 12.117 ( -0.660 -0.000 1.359) 1.510 12.162 ( 0.024 0.000 0.273) 0.274 12.344 ( -1.724 -0.000 1.680) 2.408 12.510 ( 1.578 0.000 -1.874) 2.450 12.511 ( 0.455 0.000 -1.871) 1.925 12.544 ( 1.462 0.000 -4.927) 5.140 12.659 ( 0.086 0.000 0.167) 0.188 12.909 ( -1.271 -0.000 -0.042) 1.272 12.913 ( -0.607 -0.000 -0.359) 0.705 13.015 ( 1.144 0.000 -0.713) 1.348 13.076 ( 2.791 0.000 -4.067) 4.932 13.232 ( 2.340 0.000 -5.129) 5.637 13.318 ( 2.432 0.000 -3.695) 4.423 13.334 ( -0.938 -0.000 -1.818) 2.046 ======================= Grid point 90 (47/97) ======================= q-point: (-0.50 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( -7.632 -6.151 -2.761) 10.184 1.629 ( -12.731 -4.440 14.462) 19.772 1.935 ( -1.923 9.013 11.011) 14.359 2.087 ( -6.159 5.468 15.480) 17.535 2.177 ( 1.496 2.575 4.931) 5.760 2.310 ( 1.277 -2.710 11.275) 11.666 2.426 ( 4.995 -5.526 -2.976) 8.022 2.459 ( -6.334 -1.615 3.055) 7.215 2.647 ( -0.595 -13.011 5.176) 14.016 2.848 ( -5.000 2.030 6.402) 8.373 3.002 ( -2.657 4.536 3.313) 6.214 3.035 ( 0.304 -0.713 1.696) 1.865 3.179 ( 3.028 -6.469 -0.421) 7.155 3.327 ( -1.535 9.821 2.723) 10.307 3.459 ( -4.006 -3.959 0.947) 5.712 3.533 ( 1.806 -1.248 -3.703) 4.305 3.639 ( 0.272 2.270 -5.888) 6.316 3.686 ( -0.815 -9.729 -0.877) 9.803 3.857 ( 0.979 0.047 -7.164) 7.231 3.873 ( 4.040 2.327 -1.488) 4.894 3.967 ( 0.671 -3.929 -5.067) 6.447 4.089 ( 0.686 0.356 4.045) 4.118 4.351 ( 0.938 10.008 2.141) 10.277 4.442 ( -4.308 3.521 -1.064) 5.665 4.486 ( -0.148 0.193 -5.201) 5.207 4.550 ( 0.680 7.403 -1.075) 7.512 4.665 ( -1.507 3.080 -0.921) 3.550 4.904 ( 2.436 1.726 -0.686) 3.064 4.917 ( 1.293 3.093 1.845) 3.827 4.985 ( 0.646 -0.101 -2.832) 2.907 5.044 ( 2.153 1.350 2.608) 3.642 5.066 ( 3.000 -1.621 -2.246) 4.083 5.112 ( -0.060 -1.187 1.118) 1.632 5.311 ( 0.961 2.412 1.694) 3.100 5.392 ( 2.292 -3.444 0.008) 4.137 5.470 ( 0.265 6.144 -0.194) 6.153 5.580 ( 1.714 -3.175 0.827) 3.702 5.726 ( -1.701 -0.813 0.917) 2.097 5.871 ( 3.045 -3.703 -3.981) 6.231 5.934 ( 5.362 1.613 0.466) 5.619 5.957 ( -5.004 1.402 0.787) 5.256 6.091 ( 0.623 -0.668 1.635) 1.873 6.128 ( -7.894 -2.793 0.724) 8.405 6.351 ( 2.671 0.867 -2.339) 3.655 6.424 ( 1.100 4.517 -5.347) 7.085 6.602 ( 2.341 10.325 -5.253) 11.819 6.855 ( 0.412 1.101 3.181) 3.391 6.907 ( -0.069 -2.137 0.079) 2.140 7.271 ( 0.675 1.150 -1.896) 2.317 7.399 ( 1.284 -6.610 -2.566) 7.206 7.463 ( -0.462 -10.353 -0.351) 10.369 7.637 ( 0.873 -4.918 -4.242) 6.553 7.813 ( -0.486 -0.745 2.623) 2.770 7.971 ( 0.013 -6.479 0.418) 6.493 7.998 ( -4.577 -0.662 4.492) 6.447 8.529 ( 3.601 4.550 -3.643) 6.852 10.052 ( -0.504 1.332 0.170) 1.435 10.131 ( 2.064 1.635 -2.643) 3.731 10.300 ( 0.189 -0.468 0.919) 1.049 10.320 ( 0.324 4.324 0.652) 4.385 10.417 ( -0.111 0.194 -1.700) 1.714 10.475 ( -0.643 0.776 -2.800) 2.975 10.659 ( -0.053 -0.415 0.530) 0.676 10.675 ( -0.717 -1.173 -0.279) 1.403 10.996 ( -1.155 1.364 0.504) 1.857 11.071 ( 0.718 -2.066 -0.614) 2.272 11.129 ( -0.183 1.352 2.525) 2.870 11.391 ( 2.213 -5.525 -0.649) 5.987 11.997 ( -0.037 0.912 1.094) 1.425 12.040 ( 0.803 -1.135 -1.574) 2.100 12.117 ( -0.153 0.105 0.852) 0.872 12.169 ( 0.727 0.057 0.095) 0.735 12.335 ( -1.369 -0.409 1.757) 2.264 12.489 ( 0.590 1.891 -1.136) 2.284 12.527 ( 1.881 -0.560 -3.520) 4.030 12.537 ( 1.413 -0.087 -4.095) 4.332 12.679 ( 0.310 -2.282 0.222) 2.313 12.856 ( -0.803 3.475 -0.549) 3.608 12.927 ( -0.743 -1.773 -0.095) 1.925 13.011 ( 1.279 1.628 -0.747) 2.201 13.113 ( 2.058 -3.376 -4.103) 5.698 13.227 ( 1.672 0.537 -4.714) 5.030 13.316 ( -0.230 -0.149 -2.062) 2.080 13.331 ( 2.764 -0.183 -3.724) 4.641 ======================= Grid point 91 (48/97) ======================= q-point: (-0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( -10.827 0.391 5.990) 12.380 1.642 ( 3.508 13.392 11.122) 17.758 1.848 ( -4.682 1.101 10.176) 11.256 2.141 ( -8.672 -14.954 3.069) 17.557 2.169 ( 3.115 2.241 0.384) 3.857 2.332 ( -6.747 -0.069 4.980) 8.386 2.519 ( 3.708 -1.701 6.710) 7.853 2.622 ( 2.287 -12.532 0.946) 12.774 2.710 ( -0.588 -0.461 4.431) 4.493 2.783 ( -3.812 1.697 4.674) 6.266 2.996 ( -3.446 -1.330 5.581) 6.693 3.074 ( -5.308 -4.506 8.839) 11.252 3.150 ( -0.321 5.493 -1.513) 5.706 3.380 ( 5.402 -8.406 3.259) 10.510 3.476 ( -2.776 -1.113 -0.394) 3.016 3.551 ( -0.537 0.439 -1.055) 1.263 3.559 ( -0.583 1.628 -3.567) 3.964 3.743 ( -4.166 8.469 6.133) 11.256 3.802 ( -1.716 4.901 -4.894) 7.136 3.835 ( 2.375 3.915 1.236) 4.743 4.019 ( 2.038 -7.351 -1.511) 7.777 4.086 ( -1.948 1.939 -0.080) 2.750 4.165 ( 2.995 6.394 -7.309) 10.162 4.372 ( -2.356 0.440 1.895) 3.055 4.409 ( -4.297 4.320 -3.228) 6.896 4.498 ( 2.843 0.945 -0.938) 3.139 4.672 ( 2.053 1.444 -3.202) 4.068 4.856 ( -2.691 3.185 -3.004) 5.139 4.879 ( 0.187 1.389 0.988) 1.715 4.976 ( -0.087 2.653 0.385) 2.683 5.078 ( 4.380 2.043 0.682) 4.881 5.114 ( 2.038 1.951 -1.692) 3.290 5.141 ( 3.105 -1.841 0.973) 3.739 5.336 ( 0.999 -0.784 3.374) 3.605 5.398 ( 0.897 1.228 -2.079) 2.576 5.478 ( -0.036 -5.300 0.911) 5.377 5.669 ( 0.913 -4.636 0.851) 4.801 5.706 ( -2.304 -0.910 -0.608) 2.550 5.827 ( -2.260 -0.232 -1.266) 2.601 5.927 ( 2.495 2.561 -3.482) 4.991 5.990 ( 1.280 -0.770 0.709) 1.653 6.078 ( 1.246 6.316 -0.042) 6.438 6.104 ( 0.157 1.162 -2.563) 2.819 6.261 ( -3.474 2.067 -0.704) 4.103 6.411 ( 0.493 3.070 -2.423) 3.942 6.518 ( 5.008 2.836 -3.484) 6.728 6.826 ( -0.634 3.694 4.304) 5.708 6.939 ( 0.696 -1.825 -0.925) 2.161 7.275 ( -0.869 -3.653 -2.831) 4.703 7.441 ( 2.393 1.061 -4.759) 5.432 7.640 ( 0.548 -12.966 -2.087) 13.144 7.711 ( 0.383 -6.781 0.821) 6.841 7.843 ( 0.049 -2.393 1.641) 2.902 7.966 ( -3.291 0.933 3.163) 4.659 8.081 ( -0.075 -8.965 -0.909) 9.011 8.453 ( 2.122 9.380 -2.439) 9.921 10.031 ( -0.985 0.126 0.387) 1.065 10.100 ( 1.118 4.756 -0.363) 4.899 10.286 ( 0.722 -0.058 -0.750) 1.043 10.312 ( 0.395 1.068 -0.296) 1.177 10.384 ( -0.494 1.288 -3.003) 3.304 10.464 ( 1.197 0.286 -0.086) 1.234 10.674 ( 0.070 -1.253 0.724) 1.449 10.679 ( -0.150 -0.264 -0.747) 0.807 10.975 ( -1.317 0.071 1.084) 1.707 11.102 ( 0.296 -1.865 -0.181) 1.897 11.127 ( -0.300 0.547 1.681) 1.793 11.489 ( 2.835 -4.525 -2.001) 5.702 11.990 ( -0.484 0.446 1.644) 1.771 12.044 ( -0.394 0.514 -0.236) 0.689 12.124 ( 0.104 -0.913 -0.181) 0.937 12.169 ( 0.944 1.517 -0.422) 1.836 12.351 ( -0.320 -2.259 1.296) 2.624 12.460 ( -0.094 2.237 -0.447) 2.283 12.533 ( 2.109 0.024 -4.667) 5.122 12.540 ( 1.868 -0.644 -3.538) 4.052 12.723 ( 0.419 -3.293 -0.010) 3.319 12.801 ( -0.265 3.216 -0.758) 3.315 12.942 ( -0.374 -1.653 -0.229) 1.710 12.998 ( 0.924 1.700 -0.586) 2.022 13.159 ( 1.708 -3.345 -4.147) 5.595 13.205 ( 1.426 1.872 -3.907) 4.561 13.311 ( 0.704 -0.498 -3.087) 3.205 13.347 ( 2.530 -0.315 -3.523) 4.348 ======================= Grid point 92 (49/97) ======================= q-point: (-0.17 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( -4.920 3.706 12.017) 13.504 1.602 ( 11.215 13.507 15.622) 23.500 1.848 ( -9.189 -5.615 7.265) 12.991 2.135 ( -3.579 -0.870 -2.570) 4.491 2.272 ( -9.227 -7.857 1.253) 12.184 2.300 ( 3.025 -2.425 0.779) 3.955 2.477 ( -1.036 6.944 2.464) 7.441 2.709 ( -0.756 4.883 3.494) 6.052 2.813 ( 0.999 -2.928 5.532) 6.339 2.872 ( 1.784 -8.142 -0.024) 8.335 2.969 ( -5.379 -0.642 4.984) 7.361 3.023 ( -0.255 -3.245 1.906) 3.773 3.225 ( -4.575 28.005 12.511) 31.012 3.280 ( -4.808 -7.616 7.566) 11.763 3.446 ( -6.289 -7.524 3.334) 10.357 3.558 ( -0.099 -2.505 2.281) 3.389 3.600 ( 2.473 -1.196 0.628) 2.818 3.627 ( 2.312 -1.307 0.279) 2.671 3.785 ( 0.316 -0.575 -0.826) 1.055 3.862 ( 0.281 -1.017 4.447) 4.570 4.006 ( -0.225 3.773 -5.379) 6.574 4.101 ( -2.201 -1.223 -4.436) 5.101 4.163 ( 3.874 -3.919 -2.829) 6.194 4.288 ( -1.434 3.610 -7.337) 8.302 4.398 ( 0.304 -2.499 3.849) 4.599 4.528 ( 4.366 1.001 0.718) 4.536 4.622 ( 2.357 4.922 -3.196) 6.324 4.758 ( -2.590 2.654 -4.670) 5.963 4.913 ( 0.864 -4.333 -1.547) 4.681 4.926 ( 0.283 4.227 -0.532) 4.270 5.043 ( 0.171 4.501 -2.342) 5.077 5.123 ( 1.719 -0.686 1.008) 2.108 5.208 ( 1.883 -2.153 1.831) 3.396 5.329 ( -3.757 -0.019 0.496) 3.790 5.410 ( 0.701 -0.288 -0.081) 0.762 5.535 ( -0.781 -1.596 -1.028) 2.053 5.645 ( -4.129 -0.809 -0.452) 4.232 5.746 ( 1.580 1.147 -1.600) 2.524 5.863 ( 0.334 1.803 -2.134) 2.814 5.900 ( 1.523 -2.429 -1.644) 3.305 5.977 ( 0.953 -3.616 -1.041) 3.882 6.026 ( 1.851 4.094 -0.951) 4.592 6.067 ( 4.252 2.774 -2.880) 5.837 6.271 ( 0.360 0.087 -0.150) 0.400 6.329 ( -2.795 -2.035 -1.953) 3.971 6.575 ( 3.526 -1.911 -0.110) 4.012 6.825 ( 0.452 -0.045 4.528) 4.551 6.940 ( -2.878 -0.453 -0.579) 2.970 7.299 ( -0.720 -2.279 -2.755) 3.647 7.412 ( 3.073 2.452 -4.098) 5.679 7.695 ( 1.294 2.522 -1.619) 3.265 7.828 ( -1.257 -2.427 1.186) 2.979 7.886 ( 0.979 -2.358 0.615) 2.626 7.913 ( -0.492 2.980 1.410) 3.333 8.199 ( -1.506 -8.803 -1.363) 9.035 8.327 ( 2.223 8.407 -2.018) 8.927 10.030 ( -0.206 1.289 0.952) 1.616 10.059 ( -0.332 -0.602 0.897) 1.130 10.281 ( 0.350 2.297 -1.570) 2.804 10.321 ( 1.575 -2.705 -1.824) 3.623 10.352 ( -0.468 0.399 -1.750) 1.855 10.489 ( 1.597 -1.076 0.246) 1.941 10.670 ( -0.167 0.494 -0.801) 0.956 10.697 ( 0.195 -1.084 0.621) 1.264 10.972 ( -0.953 -0.605 1.341) 1.752 11.118 ( -0.780 0.405 1.785) 1.990 11.123 ( -0.533 -1.079 -1.201) 1.700 11.535 ( 1.886 0.109 -3.626) 4.088 11.993 ( 0.148 0.598 1.459) 1.583 12.024 ( -1.236 0.413 1.244) 1.801 12.133 ( 0.000 0.291 -0.295) 0.414 12.157 ( 0.635 0.101 -1.133) 1.303 12.394 ( 0.441 -3.062 0.235) 3.103 12.423 ( -0.910 2.259 0.206) 2.444 12.533 ( 1.717 -0.164 -4.191) 4.532 12.553 ( 2.211 -0.606 -4.143) 4.735 12.748 ( 0.073 2.511 -0.466) 2.555 12.780 ( 0.326 -3.066 -0.507) 3.125 12.958 ( 0.011 -1.370 -0.546) 1.475 12.981 ( 0.411 1.652 -0.248) 1.720 13.172 ( 1.426 2.190 -3.594) 4.443 13.199 ( 2.348 -1.860 -4.174) 5.138 13.311 ( 1.359 -0.496 -3.996) 4.250 13.359 ( 1.602 -0.390 -3.102) 3.513 ======================= Grid point 96 (50/97) ======================= q-point: (-0.50 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( -6.751 -0.000 -5.510) 8.715 1.478 ( -15.095 -0.000 14.607) 21.006 1.926 ( -11.093 -0.000 9.072) 14.330 2.260 ( 3.131 0.000 10.674) 11.124 2.275 ( -3.354 -0.000 4.441) 5.565 2.337 ( -5.813 -0.000 9.569) 11.196 2.469 ( 5.796 0.000 7.041) 9.119 2.481 ( 4.702 0.000 3.724) 5.998 2.491 ( 2.800 0.000 6.561) 7.134 2.826 ( -6.839 -0.000 6.344) 9.329 2.984 ( -4.563 -0.000 -1.518) 4.809 2.998 ( -7.762 -0.000 3.552) 8.536 3.230 ( 9.424 0.000 4.706) 10.534 3.366 ( -4.810 -0.000 -0.296) 4.819 3.476 ( 0.798 0.000 3.238) 3.335 3.492 ( -2.681 -0.000 -4.369) 5.126 3.542 ( 2.286 0.000 -2.192) 3.166 3.668 ( 2.285 0.000 -6.088) 6.503 3.795 ( -2.927 -0.000 -7.490) 8.042 3.915 ( 0.790 0.000 1.037) 1.304 3.937 ( 2.499 0.000 -4.298) 4.972 4.128 ( 2.141 0.000 3.051) 3.728 4.355 ( -5.916 -0.000 -3.937) 7.106 4.404 ( -2.024 -0.000 -11.983) 12.153 4.463 ( 0.754 0.000 0.599) 0.963 4.609 ( -7.689 -0.000 -1.597) 7.853 4.678 ( 4.193 0.000 2.212) 4.740 4.903 ( -4.031 -0.000 -4.336) 5.920 4.969 ( 1.339 0.000 1.178) 1.783 4.995 ( 7.184 0.000 -0.627) 7.212 5.078 ( 3.517 0.000 -1.592) 3.861 5.122 ( 1.658 0.000 5.049) 5.314 5.148 ( 4.165 0.000 3.703) 5.573 5.315 ( -1.747 -0.000 -1.343) 2.204 5.403 ( 1.055 0.000 1.856) 2.135 5.549 ( -1.580 -0.000 0.650) 1.709 5.579 ( 4.422 0.000 -0.633) 4.467 5.742 ( 1.560 0.000 1.933) 2.484 5.812 ( -1.679 -0.000 -0.431) 1.733 5.939 ( -1.382 -0.000 1.425) 1.985 5.977 ( -0.218 -0.000 -0.658) 0.693 6.031 ( -0.599 -0.000 -0.279) 0.661 6.125 ( 2.223 0.000 3.821) 4.421 6.367 ( 0.343 0.000 -4.813) 4.826 6.446 ( 2.651 0.000 -3.477) 4.372 6.671 ( -0.047 -0.000 -7.439) 7.439 6.867 ( 1.572 0.000 -1.194) 1.974 6.914 ( 1.553 0.000 3.613) 3.933 7.279 ( -0.187 -0.000 -1.559) 1.570 7.332 ( -1.620 -0.000 -0.668) 1.752 7.408 ( 1.757 0.000 -0.392) 1.800 7.555 ( 0.158 0.000 -6.666) 6.668 7.820 ( 0.629 0.000 0.303) 0.699 7.945 ( 0.455 0.000 1.116) 1.205 7.948 ( -5.871 -0.000 6.525) 8.778 8.582 ( 3.121 0.000 -3.388) 4.607 10.050 ( -1.559 -0.000 -0.240) 1.578 10.162 ( 3.695 0.000 -2.879) 4.684 10.304 ( -0.311 -0.000 1.376) 1.410 10.375 ( 0.333 0.000 0.329) 0.468 10.392 ( -0.707 -0.000 -1.548) 1.701 10.455 ( -0.395 -0.000 -2.250) 2.285 10.655 ( -0.316 -0.000 -0.479) 0.574 10.661 ( 0.252 0.000 0.386) 0.461 10.990 ( -1.736 -0.000 0.216) 1.749 11.063 ( 1.029 0.000 -0.243) 1.057 11.150 ( -0.483 -0.000 1.957) 2.015 11.394 ( 4.492 0.000 1.049) 4.613 12.016 ( 0.108 0.000 0.735) 0.743 12.026 ( 0.507 0.000 -1.702) 1.776 12.123 ( -0.095 -0.000 1.116) 1.120 12.180 ( 0.975 0.000 0.415) 1.060 12.329 ( -0.950 -0.000 1.936) 2.156 12.501 ( 0.511 0.000 -1.999) 2.063 12.528 ( 1.986 0.000 -2.780) 3.417 12.534 ( 1.998 0.000 -4.513) 4.936 12.668 ( 0.128 0.000 0.723) 0.735 12.880 ( -1.034 -0.000 0.216) 1.057 12.891 ( -0.521 -0.000 -0.863) 1.008 13.038 ( 0.959 0.000 -0.328) 1.014 13.085 ( 1.868 0.000 -4.481) 4.855 13.225 ( 1.769 0.000 -5.169) 5.463 13.306 ( 0.476 0.000 -1.834) 1.895 13.343 ( 2.650 0.000 -3.498) 4.388 ======================= Grid point 97 (51/97) ======================= q-point: (-0.33 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( -0.419 -6.072 -6.878) 9.184 1.472 ( -13.434 -13.688 11.037) 22.127 1.818 ( -19.074 -7.430 3.380) 20.748 2.145 ( 2.141 13.225 10.293) 16.894 2.308 ( 0.922 10.903 11.292) 15.724 2.310 ( -1.698 1.334 1.031) 2.393 2.508 ( 3.769 -9.111 2.999) 10.306 2.563 ( -3.657 -1.855 13.922) 14.514 2.733 ( 1.786 -2.213 1.927) 3.436 2.794 ( -1.381 -0.527 9.012) 9.132 2.941 ( -5.500 -4.257 8.021) 10.617 2.950 ( -5.089 -3.662 0.149) 6.272 3.226 ( -3.011 8.523 -1.139) 9.110 3.362 ( -3.364 0.809 1.145) 3.645 3.437 ( 7.381 -4.967 3.153) 9.439 3.534 ( 1.560 -1.445 -2.031) 2.941 3.598 ( -0.252 4.764 -2.484) 5.379 3.689 ( 0.310 -11.833 0.388) 11.843 3.759 ( -1.399 -2.705 -6.099) 6.817 3.931 ( 2.319 3.078 -0.791) 3.934 3.938 ( -0.688 -3.009 -1.164) 3.299 4.131 ( 0.614 5.118 -1.629) 5.406 4.263 ( -1.568 8.917 -9.647) 13.230 4.301 ( -2.802 -4.427 -1.114) 5.356 4.419 ( -5.091 2.802 -2.411) 6.291 4.495 ( -1.472 3.385 -0.993) 3.822 4.706 ( 0.135 -0.152 -0.911) 0.934 4.822 ( -4.650 0.913 -3.195) 5.715 4.947 ( 2.854 5.983 1.767) 6.860 5.041 ( 2.381 3.110 1.235) 4.107 5.154 ( 1.037 0.425 3.458) 3.635 5.179 ( 7.339 -2.180 -1.151) 7.742 5.185 ( 2.719 3.381 2.727) 5.124 5.324 ( -0.774 -3.641 0.190) 3.728 5.391 ( -2.808 -1.323 0.426) 3.134 5.489 ( 2.471 6.692 0.213) 7.137 5.627 ( -0.508 0.792 0.655) 1.147 5.708 ( 2.757 -0.404 1.379) 3.109 5.837 ( -0.063 2.535 -0.837) 2.670 5.952 ( -0.286 0.273 -3.469) 3.491 6.007 ( 4.729 -1.795 -1.028) 5.162 6.044 ( 0.230 -4.584 -0.074) 4.590 6.166 ( 2.134 1.681 1.594) 3.149 6.281 ( -2.570 7.098 -2.798) 8.051 6.457 ( 2.577 1.853 -2.979) 4.353 6.585 ( 0.316 4.212 -4.561) 6.216 6.891 ( -1.359 -2.254 -1.788) 3.181 6.910 ( 0.351 5.037 5.086) 7.167 7.247 ( -0.095 2.111 -2.665) 3.401 7.382 ( -0.297 -8.173 -2.627) 8.590 7.465 ( 1.399 -9.831 -1.736) 10.081 7.627 ( 1.879 -9.241 -3.043) 9.909 7.842 ( 2.285 -0.328 -0.275) 2.325 7.902 ( -4.955 -1.381 4.590) 6.894 7.999 ( -0.921 -4.715 1.249) 4.964 8.560 ( 1.595 5.159 -2.719) 6.046 10.021 ( -1.943 0.528 -0.048) 2.014 10.173 ( 2.862 3.320 -1.850) 4.758 10.297 ( -0.303 0.955 0.273) 1.038 10.342 ( 0.483 2.486 0.795) 2.654 10.380 ( -0.095 0.747 -2.684) 2.788 10.461 ( 0.126 -1.530 -0.929) 1.795 10.657 ( 0.042 -0.875 -0.588) 1.055 10.673 ( 0.366 -0.748 0.077) 0.836 10.967 ( -1.338 0.749 1.099) 1.887 11.084 ( 0.868 -1.293 -0.361) 1.599 11.144 ( -0.687 0.890 1.563) 1.925 11.483 ( 5.217 -2.687 0.320) 5.877 12.004 ( -0.278 1.095 0.663) 1.310 12.030 ( -0.556 -0.719 -1.008) 1.358 12.125 ( -0.102 0.342 1.046) 1.105 12.193 ( 1.229 0.504 -0.366) 1.378 12.337 ( -0.052 -0.808 1.986) 2.145 12.484 ( 0.348 1.778 -1.478) 2.338 12.534 ( 1.548 0.123 -3.320) 3.665 12.540 ( 2.776 -0.326 -4.562) 5.350 12.688 ( 0.090 -2.250 0.483) 2.303 12.836 ( -0.273 3.104 -0.499) 3.155 12.911 ( -0.364 -2.255 -0.137) 2.288 13.027 ( 0.565 1.737 -0.783) 1.987 13.108 ( 1.152 -3.181 -3.908) 5.169 13.217 ( 1.873 0.297 -4.940) 5.291 13.307 ( 1.576 0.182 -2.431) 2.903 13.354 ( 2.203 -0.066 -3.361) 4.019 ======================= Grid point 98 (52/97) ======================= q-point: (-0.17 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( -2.615 -0.519 1.256) 2.947 1.540 ( -11.642 -13.788 0.223) 18.047 1.808 ( -16.861 -17.955 5.067) 25.146 2.092 ( 10.751 15.271 11.888) 22.138 2.263 ( 1.661 4.754 -1.150) 5.165 2.294 ( -3.645 -3.035 9.366) 10.499 2.564 ( -2.184 4.943 0.760) 5.457 2.684 ( -1.873 -8.763 8.039) 12.039 2.742 ( -1.608 -8.818 6.011) 10.792 2.873 ( 0.725 -1.723 8.763) 8.961 2.942 ( -0.564 -0.861 0.840) 1.328 2.998 ( -6.743 1.855 7.183) 10.024 3.113 ( -3.700 -5.791 3.847) 7.875 3.311 ( -7.354 0.592 1.221) 7.478 3.489 ( -2.796 10.028 -0.974) 10.456 3.571 ( 5.717 -5.244 -0.461) 7.772 3.642 ( 1.465 2.084 -0.004) 2.547 3.676 ( 0.295 3.813 3.269) 5.031 3.790 ( -0.770 -2.027 3.632) 4.230 3.871 ( -0.315 3.430 2.365) 4.178 4.006 ( -1.458 -2.395 -4.235) 5.079 4.059 ( 3.527 3.195 -5.763) 7.474 4.132 ( 2.326 -2.462 -4.655) 5.757 4.297 ( -2.383 4.960 -3.078) 6.305 4.371 ( 0.107 -5.091 2.705) 5.766 4.478 ( -0.714 -5.029 -6.075) 7.919 4.682 ( -1.775 0.245 -2.897) 3.406 4.731 ( -3.474 3.123 -1.176) 4.817 4.926 ( 3.646 3.710 0.677) 5.246 5.017 ( 2.239 4.849 0.876) 5.412 5.118 ( -0.864 6.130 -1.438) 6.356 5.176 ( 1.721 3.089 3.065) 4.679 5.248 ( 3.044 1.950 0.664) 3.676 5.293 ( -2.390 0.280 0.471) 2.452 5.448 ( 3.181 2.436 -1.629) 4.326 5.488 ( 0.249 -3.764 2.293) 4.414 5.598 ( -0.545 0.350 -1.193) 1.358 5.757 ( 0.430 -1.609 -0.830) 1.861 5.835 ( 2.950 -2.174 1.470) 3.948 5.905 ( 0.854 1.884 -3.861) 4.381 6.028 ( -0.062 4.813 -2.646) 5.493 6.067 ( -1.324 3.819 -1.955) 4.490 6.173 ( 6.549 -1.510 -5.389) 8.615 6.183 ( 0.346 1.336 1.641) 2.144 6.382 ( 0.110 7.942 -4.177) 8.974 6.573 ( -0.465 -2.281 1.838) 2.966 6.857 ( -3.795 -0.223 -0.380) 3.820 6.882 ( -1.963 2.442 4.635) 5.595 7.245 ( 1.788 -2.923 -2.927) 4.507 7.442 ( 1.554 -1.380 -4.722) 5.159 7.650 ( 2.680 -13.087 -3.294) 13.759 7.751 ( 1.614 -5.955 1.678) 6.394 7.849 ( -2.478 -0.898 2.421) 3.578 7.939 ( -0.272 -2.652 1.847) 3.243 8.063 ( 0.294 -7.321 -2.248) 7.664 8.456 ( -0.102 9.379 -1.828) 9.556 10.005 ( -1.433 -1.388 0.487) 2.054 10.116 ( -0.010 5.825 0.334) 5.835 10.301 ( 1.468 -0.718 -1.786) 2.421 10.321 ( 0.670 2.376 -0.581) 2.536 10.358 ( 0.764 1.238 -1.072) 1.807 10.476 ( -0.203 -1.640 -1.309) 2.108 10.665 ( 0.110 -0.515 -0.950) 1.086 10.688 ( 0.147 -0.817 0.408) 0.925 10.958 ( -0.984 -0.272 1.869) 2.130 11.107 ( 0.917 -0.728 -0.541) 1.290 11.130 ( -0.914 0.972 1.213) 1.804 11.561 ( 4.275 -0.075 -1.575) 4.557 11.996 ( -0.690 -0.268 1.093) 1.320 12.020 ( -1.056 0.203 -0.043) 1.077 12.126 ( -0.100 -0.203 0.515) 0.563 12.184 ( 0.857 2.087 -0.936) 2.443 12.370 ( 0.742 -1.991 1.192) 2.436 12.448 ( -0.275 2.705 -0.588) 2.782 12.531 ( 1.704 0.207 -3.868) 4.232 12.553 ( 2.509 -0.291 -4.421) 5.092 12.729 ( 0.089 -3.303 -0.046) 3.305 12.792 ( 0.232 3.082 -0.653) 3.159 12.936 ( 0.039 -1.793 -0.155) 1.800 13.004 ( 0.097 1.627 -0.645) 1.753 13.144 ( 0.886 -3.236 -3.840) 5.099 13.210 ( 2.371 0.611 -4.397) 5.033 13.310 ( 2.233 0.374 -3.325) 4.023 13.359 ( 1.465 0.091 -3.209) 3.529 ======================= Grid point 103 (53/97) ======================= q-point: (-0.33 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 97 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( -14.654 -0.000 2.501) 14.866 1.455 ( 6.523 0.000 1.158) 6.625 1.488 ( -27.089 -0.000 -1.633) 27.138 2.198 ( -8.602 -0.000 12.737) 15.370 2.324 ( -3.163 -0.000 4.184) 5.245 2.454 ( 3.305 0.000 6.020) 6.868 2.503 ( -14.940 -0.000 19.304) 24.410 2.654 ( 4.840 0.000 4.272) 6.455 2.722 ( 5.874 0.000 6.662) 8.882 2.795 ( -1.861 -0.000 5.672) 5.970 2.855 ( -4.090 -0.000 1.088) 4.232 2.973 ( 4.381 0.000 5.525) 7.051 3.227 ( -6.597 -0.000 1.950) 6.880 3.359 ( -0.358 -0.000 -4.776) 4.789 3.526 ( 0.406 0.000 3.864) 3.886 3.536 ( 2.662 0.000 -2.065) 3.369 3.559 ( 4.726 0.000 4.708) 6.671 3.632 ( -1.536 -0.000 -3.249) 3.594 3.670 ( -0.542 -0.000 -5.459) 5.486 3.899 ( -1.516 -0.000 0.888) 1.757 3.999 ( 5.734 0.000 -2.609) 6.299 4.159 ( -5.928 -0.000 -4.126) 7.222 4.214 ( 2.568 0.000 -0.118) 2.570 4.265 ( 1.038 0.000 -10.355) 10.407 4.352 ( -4.219 -0.000 -3.406) 5.422 4.506 ( -5.351 -0.000 1.669) 5.605 4.664 ( -1.914 -0.000 -5.483) 5.807 4.741 ( -6.581 -0.000 -0.354) 6.591 5.059 ( 4.819 0.000 -2.346) 5.360 5.095 ( 1.414 0.000 1.133) 1.812 5.168 ( -1.748 -0.000 3.162) 3.613 5.235 ( 6.380 0.000 0.333) 6.389 5.270 ( 4.258 0.000 1.483) 4.509 5.282 ( -0.049 -0.000 1.571) 1.572 5.338 ( -5.155 -0.000 2.931) 5.930 5.569 ( 4.174 0.000 -2.252) 4.743 5.692 ( 4.402 0.000 0.929) 4.499 5.788 ( 0.159 0.000 3.195) 3.199 5.821 ( 2.556 0.000 1.733) 3.088 5.890 ( -4.621 -0.000 -1.521) 4.865 6.015 ( 0.578 0.000 -3.357) 3.407 6.096 ( 10.397 0.000 -2.543) 10.703 6.173 ( -1.997 -0.000 -1.547) 2.526 6.317 ( 0.946 0.000 -0.632) 1.137 6.477 ( -0.246 -0.000 1.237) 1.261 6.578 ( -0.013 -0.000 -8.202) 8.202 6.854 ( -1.638 -0.000 -1.311) 2.098 6.993 ( 1.221 0.000 3.631) 3.831 7.252 ( -0.364 -0.000 -1.682) 1.721 7.267 ( -3.087 -0.000 -0.300) 3.102 7.454 ( 1.855 0.000 0.074) 1.857 7.504 ( 1.768 0.000 -5.997) 6.252 7.872 ( 2.729 0.000 0.993) 2.904 7.896 ( -2.151 -0.000 2.656) 3.418 7.938 ( -1.917 -0.000 0.760) 2.062 8.594 ( 0.596 0.000 -2.857) 2.919 9.998 ( -2.366 -0.000 0.218) 2.376 10.229 ( 4.019 0.000 -2.955) 4.989 10.296 ( -1.678 -0.000 0.816) 1.866 10.372 ( -0.373 -0.000 0.045) 0.376 10.374 ( 0.875 0.000 -1.303) 1.570 10.439 ( -0.015 -0.000 -0.504) 0.504 10.649 ( 0.468 0.000 -1.480) 1.552 10.672 ( 0.247 0.000 0.232) 0.339 10.973 ( -0.181 -0.000 1.384) 1.396 11.086 ( 1.009 0.000 0.172) 1.023 11.144 ( -1.163 -0.000 0.691) 1.352 11.538 ( 6.102 0.000 0.482) 6.121 12.008 ( -1.157 -0.000 -0.304) 1.196 12.011 ( -0.594 -0.000 -0.709) 0.924 12.133 ( -0.199 -0.000 1.356) 1.370 12.210 ( 1.356 0.000 -0.619) 1.491 12.346 ( 0.406 0.000 2.226) 2.263 12.496 ( 0.969 0.000 -2.088) 2.302 12.536 ( 1.062 0.000 -2.383) 2.608 12.547 ( 3.241 0.000 -5.290) 6.204 12.675 ( -0.196 -0.000 0.658) 0.686 12.870 ( -0.269 -0.000 0.951) 0.988 12.875 ( 0.175 0.000 -1.179) 1.192 13.043 ( -0.258 -0.000 -0.360) 0.443 13.072 ( 0.984 0.000 -4.185) 4.299 13.212 ( 2.038 0.000 -5.447) 5.816 13.322 ( 2.609 0.000 -2.433) 3.567 13.360 ( 1.729 0.000 -3.202) 3.639 ======================= Grid point 104 (54/97) ======================= q-point: (-0.17 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -22.860 -12.048 2.565) 25.967 1.231 ( -13.478 -17.425 -0.705) 22.041 1.594 ( 6.928 -3.964 2.092) 8.251 2.181 ( -13.070 -5.483 18.073) 22.968 2.293 ( -1.113 2.806 1.024) 3.188 2.436 ( -8.758 1.179 19.942) 21.812 2.515 ( -1.653 -1.061 4.568) 4.972 2.641 ( 0.762 1.954 3.229) 3.850 2.714 ( -1.674 3.850 2.537) 4.906 2.834 ( -2.103 -1.029 3.928) 4.573 2.960 ( 3.314 -5.765 0.815) 6.699 3.015 ( 1.064 1.977 9.114) 9.386 3.141 ( -2.058 7.236 2.792) 8.024 3.285 ( -2.038 3.941 -0.344) 4.450 3.528 ( -2.408 2.163 0.625) 3.296 3.558 ( 1.924 -1.746 -1.214) 2.868 3.644 ( -0.271 -4.763 -3.422) 5.871 3.683 ( 3.421 -4.596 3.660) 6.799 3.725 ( 2.104 -7.764 -0.302) 8.050 3.900 ( -0.697 -2.345 -2.124) 3.240 3.985 ( -0.680 6.685 -3.408) 7.534 4.104 ( 3.853 -2.144 -1.609) 4.694 4.180 ( 2.740 8.048 -5.103) 9.915 4.273 ( -1.896 -2.971 -2.898) 4.563 4.315 ( -0.832 -2.359 0.725) 2.604 4.403 ( -5.022 1.919 -1.337) 5.540 4.620 ( -1.515 -0.965 -6.414) 6.661 4.683 ( -4.943 -1.302 0.832) 5.178 5.047 ( 3.235 4.575 -2.856) 6.289 5.092 ( 1.405 3.058 1.196) 3.572 5.158 ( -1.187 1.525 1.805) 2.644 5.229 ( -2.378 3.253 -0.476) 4.058 5.272 ( 0.465 2.357 1.016) 2.608 5.337 ( 2.485 -1.309 1.369) 3.124 5.395 ( 3.125 -4.661 1.515) 5.813 5.610 ( 6.408 1.241 -0.105) 6.528 5.640 ( -0.721 9.910 3.406) 10.504 5.753 ( -2.125 2.801 -0.412) 3.540 5.847 ( 1.317 -1.684 -0.113) 2.140 5.919 ( 0.992 -2.402 -2.350) 3.504 5.988 ( -1.437 -0.172 -2.672) 3.039 6.090 ( -2.182 3.636 -2.727) 5.042 6.207 ( 5.927 2.232 -3.515) 7.243 6.305 ( 5.603 3.252 -1.928) 6.759 6.464 ( 2.413 5.549 -4.611) 7.608 6.516 ( -4.339 -0.942 0.026) 4.440 6.808 ( -3.351 1.734 0.122) 3.775 6.965 ( -0.523 5.501 4.770) 7.300 7.235 ( 1.181 0.124 -1.867) 2.212 7.337 ( -0.986 -10.604 -2.449) 10.928 7.487 ( 2.123 -9.467 -1.666) 9.845 7.656 ( 2.514 -12.879 -1.990) 13.272 7.826 ( -4.958 2.722 3.866) 6.851 7.935 ( 2.407 -1.408 1.155) 3.019 7.976 ( 1.379 -5.051 -2.369) 5.747 8.542 ( -0.645 5.527 -2.433) 6.073 9.977 ( -1.731 -0.481 0.746) 1.945 10.197 ( -0.047 6.011 -0.528) 6.034 10.295 ( 0.715 -1.096 -2.172) 2.536 10.357 ( 0.554 1.779 -0.173) 1.872 10.384 ( 1.751 0.383 -0.268) 1.812 10.442 ( -0.514 -0.732 -1.152) 1.458 10.653 ( 0.527 -0.781 -1.134) 1.475 10.680 ( 0.079 -0.714 0.088) 0.723 10.972 ( 0.102 1.251 2.025) 2.382 11.108 ( 1.178 -0.989 0.066) 1.540 11.131 ( -1.032 0.291 0.455) 1.165 11.608 ( 4.853 -0.056 -1.333) 5.034 11.983 ( -1.866 0.238 -0.455) 1.935 12.006 ( -0.547 -0.643 -0.115) 0.852 12.133 ( -0.378 0.624 1.424) 1.601 12.212 ( 0.922 1.195 -1.180) 1.916 12.369 ( 0.738 -0.827 1.774) 2.092 12.480 ( 0.624 2.339 -1.379) 2.786 12.534 ( 1.170 0.072 -2.864) 3.094 12.558 ( 3.071 0.007 -5.201) 6.040 12.691 ( -0.203 -2.201 0.152) 2.215 12.835 ( 0.512 3.030 -0.277) 3.086 12.910 ( 0.235 -2.358 0.224) 2.380 13.020 ( -0.274 1.477 -0.977) 1.791 13.088 ( 0.633 -3.226 -3.507) 4.807 13.211 ( 2.344 -0.372 -5.348) 5.851 13.336 ( 2.945 0.888 -2.841) 4.187 13.360 ( 1.182 0.151 -3.149) 3.367 ======================= Grid point 110 (55/97) ======================= q-point: (-0.17 -0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( -12.308 -0.000 12.278) 17.385 0.872 ( -19.810 -0.000 11.033) 22.675 1.703 ( 13.198 0.000 -3.443) 13.640 2.035 ( -23.929 -0.000 30.310) 38.617 2.292 ( -3.320 -0.000 1.442) 3.620 2.405 ( -7.858 -0.000 18.017) 19.656 2.457 ( -4.193 -0.000 0.318) 4.205 2.703 ( -3.305 -0.000 -0.058) 3.306 2.754 ( -0.318 -0.000 3.916) 3.929 2.880 ( 2.536 0.000 1.867) 3.149 2.963 ( 4.567 0.000 1.403) 4.777 3.044 ( -3.065 -0.000 7.281) 7.900 3.241 ( 1.750 0.000 5.329) 5.609 3.321 ( 1.356 0.000 -2.169) 2.558 3.533 ( 0.966 0.000 -0.315) 1.016 3.536 ( -4.629 -0.000 1.381) 4.831 3.588 ( 2.402 0.000 1.559) 2.863 3.655 ( 4.067 0.000 -3.186) 5.167 3.694 ( -0.033 -0.000 -0.724) 0.724 3.875 ( -1.034 -0.000 -0.584) 1.188 4.001 ( -0.357 -0.000 -4.904) 4.917 4.125 ( 5.463 0.000 -7.688) 9.432 4.227 ( -1.967 -0.000 0.018) 1.968 4.264 ( 3.332 0.000 1.219) 3.548 4.283 ( -0.921 -0.000 0.638) 1.120 4.348 ( -5.185 -0.000 -0.893) 5.262 4.575 ( 1.329 0.000 -6.023) 6.167 4.633 ( -2.486 -0.000 1.323) 2.816 5.056 ( -1.420 -0.000 -2.768) 3.110 5.134 ( 1.316 0.000 -0.899) 1.594 5.173 ( 0.296 0.000 -0.492) 0.575 5.226 ( -3.541 -0.000 -0.469) 3.572 5.293 ( 1.056 0.000 -0.281) 1.092 5.327 ( 1.633 0.000 2.486) 2.975 5.460 ( 5.038 0.000 2.513) 5.631 5.669 ( 3.330 0.000 1.658) 3.719 5.711 ( -5.064 -0.000 -0.677) 5.109 5.796 ( -0.264 -0.000 -1.204) 1.233 5.797 ( -2.763 -0.000 2.555) 3.763 5.876 ( 0.152 0.000 0.496) 0.519 5.963 ( -0.882 -0.000 -6.591) 6.650 6.074 ( -2.953 -0.000 -1.718) 3.416 6.301 ( 10.168 0.000 -6.647) 12.148 6.357 ( 2.458 0.000 -1.417) 2.837 6.448 ( -2.795 -0.000 0.704) 2.882 6.559 ( 5.621 0.000 -5.379) 7.780 6.797 ( -2.769 -0.000 2.470) 3.710 7.024 ( -1.724 -0.000 2.560) 3.086 7.208 ( -1.615 -0.000 0.896) 1.847 7.236 ( 0.497 0.000 -1.467) 1.549 7.486 ( 0.490 0.000 0.450) 0.665 7.532 ( 5.104 0.000 -3.893) 6.419 7.833 ( -4.577 -0.000 4.688) 6.551 7.874 ( -3.460 -0.000 -0.495) 3.495 8.009 ( 6.730 0.000 -2.384) 7.140 8.557 ( -0.733 -0.000 -2.941) 3.031 9.961 ( -1.183 -0.000 1.364) 1.806 10.241 ( -2.520 -0.000 -0.418) 2.555 10.271 ( 2.163 0.000 -3.287) 3.935 10.373 ( 0.383 0.000 -0.182) 0.424 10.401 ( 1.652 0.000 -0.501) 1.727 10.442 ( 0.621 0.000 0.246) 0.668 10.651 ( 1.062 0.000 -0.898) 1.390 10.674 ( -0.130 -0.000 -0.033) 0.135 10.996 ( 0.190 0.000 1.106) 1.122 11.112 ( 0.771 0.000 0.513) 0.926 11.124 ( -0.542 -0.000 0.504) 0.740 11.648 ( 3.175 0.000 -3.139) 4.465 11.954 ( -2.337 -0.000 -0.849) 2.487 11.994 ( -0.317 -0.000 0.158) 0.354 12.142 ( -0.418 -0.000 1.538) 1.593 12.223 ( 0.697 0.000 -1.517) 1.669 12.380 ( 0.319 0.000 1.704) 1.734 12.503 ( 1.394 0.000 -1.994) 2.433 12.527 ( 0.175 0.000 -1.983) 1.991 12.568 ( 3.224 0.000 -5.407) 6.295 12.673 ( -0.275 -0.000 0.046) 0.279 12.877 ( 1.089 0.000 -1.148) 1.583 12.886 ( 0.297 0.000 1.710) 1.735 13.024 ( -0.553 -0.000 -0.836) 1.002 13.047 ( 0.526 0.000 -3.462) 3.502 13.208 ( 2.664 0.000 -5.661) 6.257 13.356 ( 0.757 0.000 -3.070) 3.162 13.363 ( 3.027 0.000 -3.015) 4.273 ======================= Grid point 111 (56/97) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 97 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( 5.774 0.000 15.123) 16.187 1.587 ( 13.586 0.000 21.186) 25.168 2.040 ( -4.320 -0.000 -4.075) 5.939 2.056 ( 5.433 0.000 11.624) 12.832 2.395 ( -4.668 -0.000 2.021) 5.086 2.510 ( -6.857 -0.000 5.780) 8.968 2.724 ( -8.766 -0.000 21.324) 23.056 2.735 ( -1.645 -0.000 4.283) 4.588 2.755 ( -5.559 -0.000 -2.000) 5.908 2.841 ( 1.097 0.000 -2.174) 2.435 2.950 ( -7.703 -0.000 -0.816) 7.746 3.230 ( -3.205 -0.000 -2.260) 3.922 3.269 ( 2.950 0.000 9.864) 10.296 3.346 ( 1.399 0.000 -6.543) 6.691 3.449 ( -0.023 -0.000 -1.501) 1.501 3.598 ( 0.084 0.000 -2.102) 2.103 3.627 ( 1.069 0.000 3.084) 3.264 3.654 ( -1.423 -0.000 0.470) 1.498 3.696 ( 1.352 0.000 -7.896) 8.011 3.793 ( 9.839 0.000 -2.573) 10.169 3.824 ( -4.406 -0.000 2.555) 5.093 4.098 ( -5.731 -0.000 1.185) 5.852 4.178 ( 2.203 0.000 -1.185) 2.501 4.313 ( -5.392 -0.000 9.711) 11.108 4.333 ( 9.004 0.000 -0.926) 9.051 4.484 ( 7.160 0.000 2.812) 7.692 4.671 ( 1.711 0.000 1.365) 2.189 4.678 ( -0.051 -0.000 2.569) 2.570 4.981 ( -1.752 -0.000 -1.096) 2.066 5.002 ( -3.053 -0.000 -1.715) 3.502 5.087 ( 0.466 0.000 -0.989) 1.094 5.188 ( 0.461 0.000 -3.267) 3.300 5.337 ( -5.678 -0.000 -4.104) 7.006 5.365 ( -1.629 -0.000 -1.299) 2.084 5.388 ( 4.344 0.000 -6.344) 7.689 5.484 ( -5.682 -0.000 -2.673) 6.279 5.681 ( 1.713 0.000 -1.560) 2.317 5.688 ( 2.276 0.000 -4.845) 5.353 5.749 ( -5.245 -0.000 0.146) 5.247 5.790 ( -4.552 -0.000 -0.174) 4.555 5.905 ( 1.510 0.000 3.940) 4.219 6.000 ( -3.414 -0.000 1.132) 3.597 6.305 ( -0.711 -0.000 -3.908) 3.972 6.366 ( 11.843 0.000 -4.714) 12.747 6.426 ( 0.948 0.000 -0.035) 0.948 6.593 ( 6.220 0.000 -3.920) 7.352 6.874 ( -2.228 -0.000 4.110) 4.675 7.006 ( -3.946 -0.000 1.191) 4.122 7.242 ( 0.286 0.000 1.324) 1.354 7.271 ( 0.965 0.000 2.621) 2.793 7.492 ( -1.570 -0.000 0.665) 1.705 7.601 ( 6.925 0.000 -2.042) 7.219 7.717 ( -5.360 -0.000 -2.374) 5.862 7.876 ( -1.269 -0.000 2.363) 2.682 8.076 ( 4.594 0.000 -0.985) 4.699 8.417 ( 0.101 0.000 -5.654) 5.655 10.027 ( 0.163 0.000 2.935) 2.939 10.190 ( -0.836 -0.000 -2.922) 3.039 10.215 ( -0.194 -0.000 1.913) 1.923 10.360 ( -0.117 -0.000 -0.447) 0.462 10.402 ( 0.725 0.000 -1.069) 1.292 10.465 ( 2.523 0.000 -2.262) 3.388 10.671 ( -0.170 -0.000 0.430) 0.462 10.693 ( 1.077 0.000 0.831) 1.360 10.981 ( 0.299 0.000 -0.273) 0.405 11.119 ( -1.288 -0.000 -1.001) 1.632 11.181 ( -0.287 -0.000 2.400) 2.417 11.407 ( -2.614 -0.000 -7.777) 8.204 11.943 ( 0.340 0.000 0.597) 0.687 11.991 ( 0.640 0.000 -1.310) 1.458 12.181 ( -1.097 -0.000 1.789) 2.099 12.188 ( -0.552 -0.000 -0.106) 0.562 12.421 ( -1.113 -0.000 1.355) 1.754 12.463 ( 1.362 0.000 -3.968) 4.195 12.477 ( 0.951 0.000 -1.353) 1.653 12.495 ( 0.514 0.000 -0.457) 0.687 12.678 ( -1.259 -0.000 1.688) 2.106 12.887 ( 1.696 0.000 -0.405) 1.744 12.936 ( 0.024 0.000 0.592) 0.592 12.956 ( 1.937 0.000 -4.189) 4.615 12.972 ( 0.237 0.000 -1.975) 1.989 13.088 ( 3.045 0.000 -5.866) 6.609 13.275 ( -0.061 -0.000 -2.359) 2.360 13.317 ( 2.046 0.000 -3.373) 3.945 ======================= Grid point 112 (57/97) ======================= q-point: ( 0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 6.248 -6.803 12.650) 15.663 1.859 ( 8.333 -0.254 18.780) 20.547 1.991 ( 2.240 -1.333 -6.106) 6.639 2.172 ( -0.105 -0.247 14.251) 14.253 2.334 ( -4.241 0.959 1.184) 4.506 2.408 ( -8.682 3.836 0.520) 9.506 2.596 ( -8.174 7.076 4.172) 11.589 2.769 ( -5.975 -4.879 11.212) 13.609 2.789 ( 2.249 -0.092 2.696) 3.512 2.827 ( -3.208 -4.043 1.729) 5.443 2.939 ( -2.126 -4.982 -0.098) 5.417 3.119 ( -4.083 5.158 -1.396) 6.725 3.282 ( -1.561 1.226 -1.121) 2.279 3.370 ( 0.871 -0.126 1.307) 1.576 3.482 ( 0.770 -4.532 0.475) 4.622 3.585 ( 1.830 1.236 -1.717) 2.797 3.602 ( -0.904 2.110 2.841) 3.652 3.675 ( 0.132 -2.787 -4.209) 5.050 3.723 ( 3.551 -2.597 -4.330) 6.173 3.795 ( -3.576 -2.349 1.377) 4.495 3.955 ( 4.163 -10.181 -4.022) 11.711 4.062 ( -2.968 -0.894 7.367) 7.992 4.226 ( 5.883 -0.498 -4.046) 7.157 4.289 ( -2.299 3.878 10.686) 11.598 4.413 ( 6.618 1.162 1.767) 6.948 4.570 ( 4.417 2.885 -0.611) 5.311 4.674 ( -1.646 -0.436 0.396) 1.748 4.704 ( 4.034 2.349 2.556) 5.322 4.877 ( -2.051 6.332 -1.651) 6.858 4.981 ( -2.228 1.875 0.833) 3.029 5.037 ( -0.664 4.700 -2.850) 5.537 5.171 ( -0.054 -1.131 -4.642) 4.778 5.252 ( -5.328 -0.711 -4.631) 7.095 5.309 ( -0.334 1.833 1.605) 2.459 5.383 ( -2.947 -1.276 -2.612) 4.139 5.466 ( -0.709 -0.767 -0.067) 1.046 5.679 ( -2.585 1.923 1.014) 3.377 5.698 ( 1.598 -0.335 -0.758) 1.800 5.718 ( 0.970 -2.181 -3.929) 4.597 5.761 ( 0.604 -2.242 -2.730) 3.584 5.875 ( -0.535 2.920 -0.663) 3.042 6.034 ( 0.466 -3.632 2.773) 4.594 6.239 ( -1.250 4.540 -4.452) 6.481 6.366 ( 1.738 7.434 -0.595) 7.658 6.465 ( 6.050 7.302 -4.227) 10.383 6.568 ( 4.003 1.554 -0.550) 4.329 6.914 ( 1.035 -1.601 0.911) 2.113 6.970 ( -6.511 -2.438 2.700) 7.458 7.219 ( 0.693 3.389 0.716) 3.532 7.325 ( 1.833 -4.256 -0.415) 4.653 7.550 ( -3.031 -9.815 1.552) 10.389 7.633 ( -3.235 -0.148 -2.288) 3.965 7.747 ( 5.437 -8.405 -1.967) 10.202 7.911 ( -0.507 -4.749 2.048) 5.196 8.118 ( 2.527 -0.098 0.015) 2.529 8.369 ( 1.174 3.581 -5.778) 6.899 10.041 ( 0.173 0.497 2.530) 2.584 10.150 ( -1.506 1.433 -2.115) 2.965 10.231 ( 0.909 0.057 1.866) 2.077 10.338 ( -0.268 2.312 -0.479) 2.376 10.390 ( 0.886 1.999 -0.968) 2.391 10.478 ( 1.917 0.232 -3.367) 3.881 10.669 ( -0.177 0.296 0.838) 0.906 10.709 ( 0.049 -0.536 0.098) 0.547 10.996 ( 0.950 -0.401 1.090) 1.500 11.089 ( -2.241 -0.475 -2.278) 3.231 11.176 ( -1.250 1.135 2.130) 2.718 11.368 ( -0.541 -2.825 -5.027) 5.792 11.966 ( 0.691 -1.836 0.558) 2.040 12.003 ( 0.651 -1.762 -1.461) 2.379 12.164 ( -1.326 1.552 1.540) 2.557 12.173 ( -0.429 1.376 0.218) 1.458 12.412 ( -1.468 -0.120 1.021) 1.792 12.453 ( 0.373 0.960 -2.074) 2.316 12.466 ( 1.121 0.917 -1.970) 2.446 12.502 ( 0.778 0.025 -0.991) 1.260 12.683 ( -0.930 -1.410 1.388) 2.186 12.868 ( 0.756 3.763 -0.290) 3.849 12.939 ( 0.927 -0.561 -1.544) 1.887 12.957 ( 0.527 0.650 -1.724) 1.916 13.004 ( 1.889 -3.959 -3.170) 5.412 13.101 ( 3.085 -0.877 -5.508) 6.374 13.257 ( 0.032 0.609 -2.525) 2.597 13.315 ( 1.368 0.666 -3.048) 3.407 ======================= Grid point 113 (58/97) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( 2.106 2.918 5.928) 6.935 1.928 ( -0.559 -2.848 4.759) 5.574 2.016 ( -7.495 13.005 6.606) 16.400 2.165 ( 3.392 -0.562 7.707) 8.439 2.314 ( -2.624 -0.423 -3.829) 4.661 2.349 ( -2.045 -5.201 7.151) 9.076 2.496 ( -5.378 -1.859 11.056) 12.434 2.759 ( -2.886 3.140 3.446) 5.483 2.849 ( 0.170 -4.466 -2.957) 5.359 2.870 ( -0.841 -1.669 0.300) 1.893 2.985 ( -1.484 -1.701 4.025) 4.615 3.048 ( -0.144 -2.672 0.218) 2.685 3.245 ( -1.953 0.033 -3.657) 4.146 3.338 ( -2.540 2.860 4.553) 5.946 3.558 ( -2.178 -0.719 -1.331) 2.652 3.577 ( -1.416 -7.586 0.542) 7.736 3.632 ( 4.862 0.308 -2.526) 5.488 3.702 ( 0.523 -2.388 1.469) 2.852 3.727 ( -0.423 0.004 -4.684) 4.703 3.836 ( 1.888 -3.797 0.444) 4.263 4.034 ( -1.601 -3.908 -7.136) 8.292 4.140 ( -3.243 -5.394 12.586) 14.072 4.214 ( -1.941 14.288 7.355) 16.187 4.289 ( 6.560 2.862 4.070) 8.233 4.441 ( -2.077 6.104 -4.592) 7.915 4.536 ( 7.017 -1.434 2.219) 7.498 4.638 ( -0.691 3.299 -2.703) 4.320 4.704 ( 0.243 3.507 5.321) 6.377 4.851 ( 0.820 -3.299 -3.192) 4.663 4.912 ( 0.090 5.763 0.062) 5.764 5.005 ( 1.327 -1.872 1.028) 2.515 5.155 ( -5.143 -3.932 -5.812) 8.700 5.190 ( 0.319 1.226 0.212) 1.284 5.339 ( 1.300 -1.946 3.081) 3.869 5.348 ( -2.594 1.530 -0.160) 3.016 5.459 ( -2.110 -3.497 -0.941) 4.191 5.645 ( -0.043 1.878 0.965) 2.112 5.696 ( 0.259 0.993 -1.164) 1.551 5.733 ( 2.097 -2.867 -2.325) 4.245 5.833 ( 1.748 -4.373 -3.597) 5.926 5.908 ( 5.334 -6.939 -4.505) 9.844 6.069 ( 1.366 2.548 1.269) 3.157 6.121 ( -0.335 9.167 -3.147) 9.698 6.257 ( -0.289 6.837 -2.435) 7.263 6.340 ( 0.181 9.337 -3.531) 9.984 6.640 ( 1.564 -1.804 2.293) 3.310 6.885 ( -3.257 1.535 -1.034) 3.745 6.959 ( -2.233 0.323 4.049) 4.636 7.226 ( 1.845 -2.487 -1.671) 3.519 7.347 ( 1.635 2.933 -4.035) 5.250 7.608 ( -0.125 -5.296 -1.121) 5.415 7.733 ( -1.883 -14.447 1.118) 14.612 7.856 ( 1.309 -2.585 -0.724) 2.986 8.000 ( 0.885 -3.297 2.651) 4.322 8.141 ( -0.257 -2.661 -0.330) 2.694 8.291 ( 2.860 6.852 -5.350) 9.151 10.050 ( -0.081 -0.252 1.753) 1.773 10.099 ( -1.303 2.379 -0.804) 2.829 10.250 ( 1.138 0.032 1.047) 1.547 10.300 ( -0.178 2.005 -0.679) 2.125 10.369 ( 1.124 1.887 -0.419) 2.236 10.460 ( 0.248 1.323 -4.233) 4.441 10.669 ( -0.206 0.064 0.964) 0.988 10.708 ( -0.426 0.003 -0.408) 0.590 11.008 ( -0.411 0.355 1.458) 1.555 11.078 ( 0.241 -1.457 -1.355) 2.004 11.158 ( -1.651 0.465 2.681) 3.183 11.405 ( 1.548 -4.679 -4.113) 6.419 12.008 ( 0.564 -2.397 0.876) 2.613 12.031 ( -0.011 -2.092 -0.559) 2.165 12.134 ( -0.800 1.571 0.755) 1.917 12.146 ( 0.026 2.039 -0.144) 2.044 12.404 ( -1.363 -0.693 0.716) 1.688 12.429 ( 0.438 1.687 -0.737) 1.892 12.464 ( 0.945 -0.092 -2.091) 2.297 12.498 ( 0.873 0.866 -1.772) 2.157 12.708 ( -0.423 -2.446 0.958) 2.661 12.820 ( -0.112 3.684 -0.088) 3.687 12.945 ( 0.997 0.783 -1.997) 2.366 12.952 ( 0.672 -0.869 -1.600) 1.941 13.056 ( 1.965 -2.836 -3.696) 5.056 13.119 ( 2.812 -0.377 -4.877) 5.642 13.237 ( 0.722 0.603 -2.813) 2.966 13.304 ( 0.834 0.628 -2.671) 2.868 ======================= Grid point 114 (59/97) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( -5.500 13.778 7.790) 16.756 1.720 ( -4.104 18.489 1.068) 18.969 1.970 ( -4.382 -1.220 4.115) 6.134 2.242 ( -3.405 3.510 3.727) 6.148 2.286 ( -0.521 -6.391 8.012) 10.262 2.477 ( 0.557 -8.431 7.921) 11.581 2.608 ( 0.365 -3.772 6.025) 7.118 2.709 ( -1.253 -3.923 -2.153) 4.647 2.783 ( -1.389 5.546 -2.030) 6.067 2.899 ( 1.595 0.582 2.094) 2.696 3.046 ( -2.903 -7.986 3.772) 9.297 3.130 ( 5.791 0.081 -2.077) 6.153 3.176 ( -2.669 0.964 -4.637) 5.437 3.329 ( -3.850 -0.892 7.663) 8.622 3.511 ( -3.718 2.735 -0.160) 4.618 3.594 ( 0.056 1.313 -2.294) 2.643 3.694 ( 3.167 -2.291 -0.449) 3.934 3.696 ( 1.898 -1.294 -4.884) 5.397 3.798 ( -2.907 -6.715 3.301) 8.028 3.883 ( -1.123 2.952 2.192) 3.844 3.926 ( -1.213 13.620 1.174) 13.724 4.066 ( -0.253 -4.314 0.070) 4.322 4.194 ( -4.425 0.932 11.750) 12.590 4.333 ( 2.127 3.971 -3.686) 5.820 4.366 ( 0.525 1.272 5.651) 5.816 4.491 ( -1.037 8.728 -4.555) 9.900 4.616 ( -2.700 2.584 3.224) 4.936 4.750 ( 3.480 0.709 2.965) 4.627 4.860 ( 2.467 -3.240 -1.534) 4.351 4.920 ( 0.655 -5.926 -3.227) 6.780 5.078 ( 0.741 -2.779 0.446) 2.911 5.133 ( -4.296 -3.675 -2.850) 6.331 5.170 ( -1.107 -1.511 -2.636) 3.234 5.341 ( 1.393 -3.218 2.662) 4.403 5.406 ( 1.688 -1.375 0.838) 2.333 5.511 ( -0.313 -6.037 2.502) 6.543 5.644 ( 2.471 0.416 2.292) 3.396 5.694 ( 1.073 -0.414 -3.219) 3.418 5.813 ( 1.925 -6.730 -2.951) 7.596 5.888 ( 0.127 -3.355 -0.926) 3.483 5.939 ( -1.212 12.309 -2.297) 12.580 6.006 ( 0.765 2.398 -1.440) 2.900 6.090 ( 10.323 -2.859 -7.250) 12.935 6.198 ( 1.014 -1.121 -5.117) 5.335 6.213 ( -1.439 5.183 -1.687) 5.637 6.621 ( -9.069 0.641 3.178) 9.631 6.834 ( -0.151 2.142 0.513) 2.208 6.966 ( -1.470 -1.982 4.439) 5.078 7.263 ( 3.148 3.344 -1.825) 4.942 7.311 ( 1.688 -1.854 -5.602) 6.138 7.667 ( 4.261 -0.533 -4.042) 5.897 7.855 ( -1.540 -0.103 1.470) 2.131 7.905 ( -2.039 -9.898 0.856) 10.142 7.973 ( -1.061 8.169 4.475) 9.374 8.131 ( 2.251 9.135 -3.185) 9.933 8.273 ( 0.728 -7.174 -3.380) 7.964 10.045 ( -0.640 2.609 0.619) 2.757 10.078 ( -0.527 -2.435 1.145) 2.742 10.272 ( 0.096 -0.454 -0.787) 0.914 10.276 ( 0.756 -0.156 -0.608) 0.983 10.367 ( 0.725 0.106 -0.723) 1.030 10.419 ( 0.091 1.289 -2.576) 2.882 10.669 ( -0.005 0.484 0.378) 0.614 10.700 ( -0.281 0.237 -0.087) 0.377 11.005 ( -0.521 0.216 1.460) 1.565 11.104 ( 1.402 -1.138 -0.485) 1.869 11.153 ( -1.398 -0.008 2.837) 3.162 11.466 ( 2.056 -4.280 -5.186) 7.031 12.030 ( -1.427 1.008 1.511) 2.310 12.038 ( 0.162 0.474 0.923) 1.051 12.129 ( 0.395 -0.898 -0.480) 1.092 12.132 ( 0.273 -0.972 -0.807) 1.293 12.409 ( -0.677 -1.481 0.266) 1.650 12.417 ( 0.929 0.944 -0.285) 1.355 12.467 ( 0.736 -0.360 -1.548) 1.752 12.485 ( 0.990 0.895 -2.572) 2.897 12.747 ( 0.133 -2.942 0.517) 2.990 12.770 ( -0.616 3.085 0.424) 3.175 12.937 ( 1.109 0.790 -1.719) 2.193 12.961 ( 0.372 -0.951 -1.869) 2.130 13.079 ( 2.065 0.287 -4.015) 4.524 13.116 ( 1.620 0.821 -4.510) 4.862 13.240 ( 2.233 -0.870 -3.023) 3.857 13.293 ( 0.541 0.076 -2.527) 2.585 ======================= Grid point 115 (60/97) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( -8.204 13.846 16.720) 23.207 1.485 ( 5.137 17.843 0.852) 18.588 1.933 ( -1.258 5.292 10.804) 12.096 2.181 ( -3.910 0.833 -0.539) 4.034 2.390 ( -3.939 -7.666 2.915) 9.098 2.569 ( -5.905 0.702 7.889) 9.880 2.656 ( 0.206 -6.524 4.578) 7.973 2.677 ( -0.042 1.999 0.568) 2.079 2.890 ( 2.379 -5.422 3.723) 6.995 2.902 ( 0.683 -1.488 -1.238) 2.052 3.064 ( -2.592 4.279 0.041) 5.003 3.112 ( -3.400 -4.998 -1.213) 6.165 3.191 ( 2.142 5.732 6.576) 8.983 3.280 ( -1.875 2.259 5.556) 6.284 3.477 ( -0.728 -2.123 -0.130) 2.248 3.570 ( 0.231 2.291 3.022) 3.799 3.691 ( -5.494 1.529 -2.606) 6.270 3.699 ( 2.540 -1.315 -8.455) 8.925 3.770 ( 0.704 2.110 2.622) 3.438 3.855 ( 6.023 0.697 -7.618) 9.736 3.916 ( -0.512 1.040 5.658) 5.775 4.122 ( -1.672 6.576 10.165) 12.222 4.154 ( -2.701 -1.495 -0.913) 3.219 4.298 ( -1.260 -3.772 -0.973) 4.095 4.339 ( 0.215 6.667 -2.263) 7.044 4.417 ( 0.440 -0.582 4.006) 4.072 4.552 ( -0.827 4.590 3.233) 5.675 4.717 ( -3.085 2.307 4.220) 5.714 4.982 ( 1.349 -5.052 -1.522) 5.446 5.016 ( 2.584 -9.126 -1.894) 9.672 5.055 ( -4.456 0.058 -5.143) 6.805 5.096 ( -0.851 -2.317 -2.542) 3.543 5.250 ( 0.435 -6.694 0.305) 6.715 5.389 ( -0.084 0.938 0.106) 0.948 5.462 ( 1.142 -3.316 1.662) 3.881 5.581 ( -1.253 -3.811 2.004) 4.485 5.672 ( -1.914 1.386 -3.669) 4.364 5.731 ( 5.937 -0.734 0.468) 6.000 5.779 ( 0.852 4.163 -5.190) 6.708 5.856 ( -2.435 -2.405 -1.831) 3.882 5.937 ( 0.621 3.146 -1.698) 3.628 5.977 ( 2.135 -3.320 -0.882) 4.045 6.123 ( 2.822 -0.673 -3.865) 4.833 6.224 ( 3.894 -4.773 -2.538) 6.662 6.308 ( 7.208 -7.704 -4.673) 11.539 6.485 ( -11.052 1.298 1.371) 11.212 6.827 ( -0.039 0.086 3.211) 3.213 7.017 ( -0.588 -3.315 3.901) 5.153 7.222 ( 1.782 3.392 -2.867) 4.786 7.333 ( 1.809 0.611 -3.341) 3.849 7.649 ( 4.910 9.684 -2.022) 11.044 7.814 ( -3.324 1.797 1.048) 3.921 7.839 ( -2.664 9.968 2.754) 10.679 7.978 ( -1.756 0.349 0.416) 1.838 8.012 ( 5.451 7.069 -3.185) 9.478 8.367 ( -0.857 -8.107 -3.033) 8.698 10.014 ( -0.548 1.531 1.708) 2.359 10.127 ( -0.154 -4.344 0.562) 4.383 10.251 ( -0.442 0.857 -1.260) 1.587 10.318 ( 0.566 -3.233 -0.898) 3.403 10.363 ( -0.090 -0.892 -2.166) 2.344 10.421 ( 1.957 -0.141 -0.028) 1.962 10.661 ( 0.236 0.785 -0.043) 0.821 10.695 ( 0.170 0.612 0.412) 0.757 11.002 ( -0.675 0.178 0.588) 0.913 11.127 ( 1.159 -0.055 -0.221) 1.181 11.155 ( -0.762 -0.103 2.713) 2.819 11.499 ( 0.947 -2.569 -6.944) 7.464 11.991 ( -1.183 2.824 1.292) 3.324 12.024 ( 0.145 1.958 0.143) 1.968 12.148 ( -0.269 -1.825 0.785) 2.005 12.162 ( 0.092 -2.648 -0.887) 2.794 12.420 ( 0.880 0.298 0.175) 0.945 12.429 ( 0.041 -1.929 -0.252) 1.945 12.471 ( 1.410 0.538 -2.743) 3.131 12.478 ( 0.712 -0.795 -1.764) 2.062 12.727 ( -0.994 2.376 1.014) 2.767 12.795 ( 0.632 -3.139 0.145) 3.206 12.932 ( 1.147 0.706 -1.480) 2.001 12.966 ( 0.128 -0.880 -1.797) 2.006 13.050 ( 1.450 3.532 -3.465) 5.156 13.103 ( 2.083 0.586 -5.125) 5.563 13.270 ( 2.607 -1.343 -3.111) 4.275 13.288 ( 0.515 -0.493 -2.552) 2.649 ======================= Grid point 116 (61/97) ======================= q-point: (-0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 1.811 8.052 15.897) 17.912 1.409 ( 8.406 10.444 16.235) 21.055 1.951 ( 4.759 3.696 11.608) 13.079 2.115 ( -5.038 -0.519 -3.648) 6.242 2.417 ( -4.211 -2.805 1.241) 5.210 2.535 ( -6.220 -0.813 8.146) 10.281 2.688 ( -1.201 -1.764 7.057) 7.373 2.752 ( -5.419 -5.490 4.981) 9.182 2.834 ( -5.399 5.879 4.038) 8.945 2.864 ( -0.993 4.476 0.944) 4.682 3.059 ( -6.594 0.206 -0.480) 6.615 3.153 ( 3.558 -2.212 10.791) 11.576 3.207 ( -0.308 -6.555 -1.192) 6.670 3.324 ( 4.283 -0.903 -1.930) 4.784 3.482 ( -0.240 0.324 -2.978) 3.005 3.578 ( 0.197 -0.076 5.603) 5.607 3.625 ( -2.581 -0.270 -3.342) 4.232 3.698 ( 0.737 3.592 -1.783) 4.078 3.716 ( 1.800 -0.557 -8.549) 8.754 3.820 ( 7.404 14.025 -2.507) 16.056 3.874 ( -3.910 2.718 3.304) 5.796 4.131 ( -1.826 -4.851 -1.012) 5.281 4.168 ( 1.910 -1.296 7.790) 8.125 4.233 ( -1.727 1.973 -4.961) 5.612 4.329 ( -3.703 -1.609 5.541) 6.856 4.442 ( 4.460 5.240 2.509) 7.325 4.586 ( 4.696 -3.521 2.098) 6.233 4.689 ( -3.599 0.533 5.891) 6.924 4.989 ( -3.602 -2.226 -3.507) 5.497 5.036 ( -1.642 -3.622 -1.473) 4.241 5.080 ( -0.122 -0.741 -3.226) 3.313 5.157 ( 1.844 -5.685 -1.555) 6.176 5.306 ( -0.976 -2.424 0.570) 2.675 5.385 ( 2.096 -0.009 -0.616) 2.185 5.452 ( -3.772 0.559 -4.227) 5.693 5.578 ( -3.921 1.864 -3.889) 5.828 5.649 ( 1.412 -3.619 -1.478) 4.156 5.724 ( 1.731 3.975 -6.186) 7.554 5.767 ( -0.345 -2.961 -2.765) 4.066 5.848 ( -3.573 -1.812 -1.311) 4.215 5.893 ( -0.447 4.151 2.314) 4.774 6.014 ( -2.309 -2.715 2.833) 4.553 6.235 ( 9.994 -3.935 -5.146) 11.910 6.311 ( 1.092 -1.983 -1.836) 2.915 6.393 ( -3.511 -4.836 0.397) 5.989 6.472 ( 6.692 -5.794 -3.803) 9.634 6.864 ( 0.443 -1.527 3.470) 3.817 7.049 ( -1.711 0.214 1.544) 2.314 7.209 ( -0.461 -2.201 0.296) 2.268 7.289 ( 1.265 5.763 -0.320) 5.909 7.546 ( 2.753 9.536 1.086) 9.985 7.668 ( 1.867 13.509 -0.956) 13.670 7.767 ( -5.978 -2.269 0.341) 6.403 7.915 ( -0.072 4.101 -0.998) 4.221 8.030 ( 4.431 0.863 -0.701) 4.569 8.421 ( -0.600 -4.080 -4.445) 6.064 10.011 ( -0.190 0.082 2.574) 2.582 10.180 ( -0.192 -3.211 -0.340) 3.235 10.227 ( -0.649 0.790 -0.853) 1.331 10.349 ( 0.067 -1.861 -0.952) 2.091 10.383 ( 0.613 -2.151 -1.066) 2.477 10.447 ( 2.281 -0.062 -1.147) 2.554 10.661 ( 0.411 -0.273 0.352) 0.606 10.690 ( 0.690 1.292 0.610) 1.587 10.990 ( -0.587 0.369 -0.536) 0.876 11.130 ( -0.013 0.312 0.067) 0.320 11.167 ( -0.030 -0.187 2.364) 2.371 11.477 ( -1.357 -0.578 -8.318) 8.448 11.953 ( -0.454 1.934 0.886) 2.176 12.001 ( 0.432 1.511 -0.714) 1.726 12.172 ( -0.747 -1.458 1.577) 2.274 12.185 ( -0.327 -1.503 -0.500) 1.618 12.424 ( -0.337 0.176 1.150) 1.211 12.457 ( 0.828 -1.769 -1.150) 2.267 12.466 ( 1.514 0.074 -3.708) 4.005 12.491 ( 0.875 -0.408 -1.025) 1.408 12.695 ( -1.287 1.408 1.547) 2.456 12.846 ( 1.081 -2.964 -0.197) 3.161 12.930 ( 0.994 0.346 -1.033) 1.474 12.968 ( 0.198 -0.305 -1.625) 1.665 12.999 ( 1.194 3.324 -3.215) 4.776 13.092 ( 2.706 0.932 -5.637) 6.322 13.283 ( 0.172 -0.551 -2.412) 2.481 13.302 ( 2.527 -0.816 -3.352) 4.276 ======================= Grid point 118 (62/97) ======================= q-point: ( 0.17 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 3.596 0.000 11.306) 11.864 1.971 ( 2.953 0.000 -3.094) 4.276 2.077 ( 10.506 0.000 10.898) 15.138 2.226 ( -2.463 -0.000 1.832) 3.070 2.265 ( -7.579 -0.000 12.891) 14.954 2.362 ( -8.375 -0.000 3.304) 9.003 2.605 ( -6.542 -0.000 0.019) 6.542 2.654 ( -7.815 -0.000 7.638) 10.928 2.777 ( -5.683 -0.000 8.900) 10.560 2.855 ( 1.984 0.000 2.308) 3.043 2.904 ( 4.231 0.000 2.971) 5.171 3.103 ( -4.982 -0.000 0.446) 5.002 3.201 ( -4.470 -0.000 -6.359) 7.773 3.407 ( 0.100 0.000 5.619) 5.620 3.445 ( 1.078 0.000 -4.321) 4.454 3.619 ( -2.914 -0.000 -2.197) 3.649 3.622 ( 0.390 0.000 -3.644) 3.665 3.629 ( -1.046 -0.000 -0.687) 1.252 3.690 ( 5.094 0.000 -3.982) 6.466 3.775 ( -0.466 -0.000 4.165) 4.191 3.910 ( 2.168 0.000 -3.271) 3.924 4.090 ( 0.610 0.000 8.411) 8.433 4.284 ( 8.457 0.000 -1.918) 8.672 4.357 ( -0.324 -0.000 11.643) 11.647 4.458 ( 2.070 0.000 -5.660) 6.027 4.628 ( -4.398 -0.000 -0.276) 4.406 4.656 ( 5.819 0.000 -2.493) 6.331 4.797 ( 7.273 0.000 1.236) 7.377 4.935 ( -2.465 -0.000 1.067) 2.686 4.990 ( 2.400 0.000 2.605) 3.542 5.052 ( -2.515 -0.000 -4.267) 4.953 5.052 ( -4.465 -0.000 -8.282) 9.409 5.181 ( -2.629 -0.000 -0.501) 2.677 5.317 ( -1.434 -0.000 0.656) 1.577 5.364 ( -1.470 -0.000 2.512) 2.911 5.477 ( 2.932 0.000 -1.499) 3.293 5.649 ( -3.128 -0.000 2.080) 3.756 5.715 ( 1.626 0.000 -0.810) 1.816 5.724 ( 4.458 0.000 -3.475) 5.653 5.741 ( 1.132 0.000 -1.606) 1.965 5.958 ( 0.500 0.000 1.751) 1.821 5.960 ( 0.282 0.000 -0.075) 0.292 6.232 ( -0.198 -0.000 -6.364) 6.367 6.439 ( 0.160 0.000 -2.263) 2.269 6.535 ( 2.695 0.000 -0.425) 2.728 6.635 ( -0.652 -0.000 -2.182) 2.277 6.864 ( -1.655 -0.000 3.075) 3.492 6.891 ( -4.776 -0.000 0.843) 4.850 7.267 ( 0.554 0.000 0.927) 1.080 7.321 ( 1.220 0.000 1.462) 1.904 7.445 ( -2.484 -0.000 -0.031) 2.485 7.581 ( -2.121 -0.000 -4.972) 5.406 7.755 ( 7.288 0.000 -2.123) 7.591 7.880 ( -1.141 -0.000 3.162) 3.362 8.142 ( 0.210 0.000 2.488) 2.497 8.381 ( 2.840 0.000 -6.756) 7.329 10.061 ( 0.221 0.000 2.119) 2.131 10.123 ( -1.667 -0.000 -2.566) 3.060 10.261 ( 1.621 0.000 2.607) 3.070 10.353 ( -0.147 -0.000 -0.073) 0.164 10.405 ( 0.482 0.000 -0.948) 1.063 10.478 ( 1.052 0.000 -4.464) 4.586 10.671 ( -0.501 -0.000 0.685) 0.849 10.701 ( -0.607 -0.000 -0.286) 0.671 11.018 ( 1.354 0.000 2.074) 2.477 11.043 ( -1.864 -0.000 -2.640) 3.231 11.185 ( -1.161 -0.000 2.014) 2.324 11.315 ( -0.275 -0.000 -2.900) 2.913 11.967 ( 1.209 0.000 0.109) 1.214 11.989 ( 0.705 0.000 -1.950) 2.073 12.169 ( -1.476 -0.000 1.966) 2.458 12.177 ( -0.582 -0.000 0.922) 1.091 12.399 ( -1.641 -0.000 1.010) 1.927 12.449 ( 0.947 0.000 -3.519) 3.644 12.479 ( 0.562 0.000 -1.571) 1.668 12.503 ( 0.220 0.000 0.024) 0.221 12.672 ( -0.729 -0.000 1.597) 1.755 12.917 ( 0.635 0.000 -0.065) 0.638 12.927 ( -0.784 -0.000 -0.346) 0.856 12.965 ( 2.615 0.000 -4.362) 5.086 12.969 ( 1.302 0.000 -2.117) 2.486 13.102 ( 3.341 0.000 -5.642) 6.557 13.250 ( 0.370 0.000 -2.634) 2.660 13.316 ( 0.613 0.000 -2.807) 2.873 ======================= Grid point 119 (63/97) ======================= q-point: ( 0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( -0.258 -5.859 6.256) 8.576 1.948 ( 0.727 6.358 -2.171) 6.758 2.176 ( -5.433 11.497 7.790) 14.913 2.206 ( 4.141 -4.074 -4.156) 7.142 2.256 ( -2.515 0.268 6.813) 7.268 2.301 ( -3.248 -3.385 10.976) 11.936 2.459 ( -9.581 1.015 11.332) 14.874 2.718 ( -4.963 -0.138 4.335) 6.591 2.757 ( -3.978 -8.429 3.022) 9.798 2.917 ( 5.439 1.333 1.920) 5.920 2.985 ( 3.386 -1.901 3.864) 5.478 3.008 ( -4.550 2.088 0.006) 5.006 3.180 ( -2.223 -4.761 -4.019) 6.615 3.390 ( -0.704 4.642 2.807) 5.470 3.464 ( -0.724 -3.390 -1.370) 3.727 3.543 ( -2.398 1.207 -1.707) 3.181 3.586 ( -1.833 -2.998 -5.847) 6.822 3.669 ( 2.299 -3.887 -3.118) 5.488 3.769 ( 2.230 -5.066 -2.726) 6.170 3.797 ( 1.391 2.217 5.631) 6.209 3.923 ( -0.564 -2.989 -5.569) 6.345 4.152 ( 0.153 -0.527 10.531) 10.546 4.369 ( 2.089 4.106 3.305) 5.669 4.401 ( 5.417 2.209 -2.634) 6.415 4.436 ( 0.350 -0.358 0.118) 0.515 4.577 ( -5.516 -1.770 -0.936) 5.868 4.668 ( 4.388 3.635 -3.850) 6.877 4.823 ( -2.391 7.811 2.114) 8.438 4.866 ( 4.947 2.693 0.110) 5.634 4.984 ( -1.995 0.538 -3.353) 3.938 5.021 ( 0.469 -0.797 1.613) 1.859 5.028 ( 1.641 1.691 1.400) 2.741 5.172 ( -2.869 -2.011 -0.954) 3.631 5.316 ( 0.067 0.370 1.995) 2.030 5.374 ( 0.586 -1.908 2.713) 3.368 5.453 ( 0.434 5.077 1.123) 5.218 5.634 ( -2.302 -0.767 2.025) 3.160 5.730 ( 1.642 -0.084 -0.339) 1.678 5.765 ( 5.430 1.917 -4.675) 7.417 5.786 ( 2.937 -3.572 -2.490) 5.252 5.902 ( 4.977 0.996 -2.907) 5.849 6.068 ( 0.370 -4.934 1.642) 5.213 6.181 ( 1.929 3.214 -6.389) 7.408 6.333 ( -3.422 8.475 -2.169) 9.393 6.489 ( 1.010 13.202 -4.383) 13.947 6.566 ( -8.932 -5.068 3.662) 10.903 6.858 ( -0.501 -0.477 0.686) 0.974 6.935 ( -0.732 -4.489 0.629) 4.592 7.240 ( 0.665 3.184 -0.817) 3.354 7.355 ( 1.103 -1.829 -1.108) 2.406 7.494 ( -2.061 -9.815 0.652) 10.050 7.573 ( 0.493 -5.742 -3.904) 6.961 7.839 ( 2.547 -1.853 -0.089) 3.151 7.932 ( 1.029 -6.848 0.574) 6.948 8.143 ( -2.150 1.072 4.252) 4.884 8.369 ( 4.419 3.102 -6.402) 8.375 10.064 ( -0.159 0.940 1.364) 1.664 10.094 ( -0.746 0.371 -1.885) 2.061 10.289 ( 1.659 0.925 2.170) 2.884 10.328 ( -0.443 2.943 0.225) 2.984 10.397 ( 0.420 1.155 -1.395) 1.859 10.452 ( -0.113 0.803 -4.406) 4.480 10.669 ( -0.442 -0.200 0.598) 0.770 10.693 ( -0.886 -0.585 -0.614) 1.227 11.015 ( -0.136 0.571 0.222) 0.627 11.055 ( 0.380 -1.815 0.467) 1.912 11.170 ( -0.986 1.352 2.735) 3.206 11.339 ( 1.049 -4.194 -2.483) 4.986 11.993 ( 1.103 -1.527 0.195) 1.894 12.000 ( 0.631 -1.740 -1.660) 2.486 12.151 ( -1.153 1.503 1.809) 2.619 12.171 ( -0.231 1.200 0.993) 1.575 12.385 ( -1.507 -0.216 0.901) 1.769 12.440 ( 0.909 0.269 -3.040) 3.184 12.470 ( 0.605 0.704 -1.307) 1.603 12.503 ( 0.137 0.241 -0.788) 0.836 12.683 ( -0.349 -1.417 1.489) 2.085 12.867 ( -0.506 4.039 -0.324) 4.083 12.938 ( 0.121 -0.893 -1.186) 1.489 12.960 ( 1.390 0.842 -2.002) 2.579 13.015 ( 2.130 -3.700 -3.782) 5.704 13.118 ( 3.005 -0.704 -5.351) 6.177 13.240 ( 1.230 0.400 -2.930) 3.203 13.302 ( 0.047 0.415 -2.394) 2.430 ======================= Grid point 120 (64/97) ======================= q-point: (-0.50 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( -2.264 6.328 6.704) 9.493 1.823 ( -6.111 5.953 2.420) 8.868 1.986 ( -0.381 9.994 5.634) 11.479 2.227 ( -6.819 -0.568 6.689) 9.569 2.287 ( 3.222 -0.280 -1.492) 3.562 2.404 ( -2.139 -8.813 6.771) 11.318 2.535 ( 0.657 -9.724 6.913) 11.949 2.660 ( -5.887 1.049 2.449) 6.462 2.781 ( -2.297 0.026 0.549) 2.362 2.935 ( -3.957 1.866 7.708) 8.863 2.983 ( 3.796 -1.063 -0.431) 3.965 3.107 ( 2.916 -5.286 -2.322) 6.468 3.191 ( 2.235 -0.407 -2.922) 3.701 3.333 ( -2.862 1.553 5.985) 6.814 3.486 ( -0.473 -0.854 -1.372) 1.684 3.537 ( -0.297 -3.550 -2.599) 4.410 3.626 ( -0.318 -8.977 -5.046) 10.303 3.704 ( 0.038 -1.293 -2.025) 2.403 3.782 ( 2.993 4.899 2.533) 6.275 3.858 ( -0.334 -2.523 0.938) 2.712 3.949 ( 0.138 -9.496 -4.569) 10.539 4.145 ( -3.828 12.818 -1.063) 13.419 4.229 ( -4.450 5.076 10.835) 12.766 4.386 ( 2.776 6.708 -2.805) 7.783 4.458 ( 0.126 1.509 5.325) 5.536 4.538 ( -4.595 1.061 1.030) 4.827 4.609 ( -1.341 3.674 -0.278) 3.921 4.829 ( 5.435 -2.430 -1.668) 6.183 4.866 ( 2.369 2.787 0.547) 3.699 4.922 ( 0.466 3.660 -1.447) 3.963 5.025 ( -0.278 -0.033 -1.321) 1.350 5.089 ( 2.512 -2.603 3.292) 4.891 5.124 ( -3.112 1.851 -2.373) 4.330 5.333 ( 1.186 -1.626 4.278) 4.728 5.399 ( -1.803 -0.358 -0.697) 1.966 5.479 ( 2.875 -3.492 3.826) 5.924 5.651 ( 0.122 -2.302 1.181) 2.590 5.735 ( 1.491 2.767 -0.466) 3.178 5.764 ( 3.384 -1.540 -4.026) 5.480 5.851 ( 2.416 -1.893 -0.702) 3.149 5.997 ( 4.194 -4.720 -2.484) 6.785 6.063 ( -0.705 7.540 -2.785) 8.069 6.155 ( -1.154 1.899 -1.075) 2.468 6.180 ( 4.910 2.716 -7.521) 9.383 6.304 ( 0.185 11.053 -2.914) 11.432 6.499 ( -10.662 -1.366 -0.321) 10.753 6.876 ( 1.005 1.746 2.101) 2.911 6.945 ( -1.701 -1.224 2.483) 3.249 7.242 ( 1.035 -3.517 -2.969) 4.717 7.347 ( 1.770 3.024 -4.008) 5.324 7.624 ( 1.410 -8.622 -1.467) 8.859 7.712 ( -0.269 -14.222 0.399) 14.230 7.857 ( -0.581 0.293 0.546) 0.849 8.047 ( 1.079 -3.948 0.876) 4.185 8.110 ( -3.356 -0.421 2.909) 4.461 8.325 ( 4.651 7.191 -5.455) 10.153 10.057 ( -0.631 -0.170 1.053) 1.239 10.073 ( 0.164 1.469 -0.654) 1.616 10.279 ( 0.102 2.336 0.396) 2.371 10.299 ( 0.447 1.734 0.021) 1.790 10.367 ( -0.454 1.206 -2.669) 2.964 10.430 ( 1.003 0.527 -1.282) 1.711 10.672 ( -0.029 -0.164 -0.056) 0.175 10.690 ( -0.641 -0.789 -0.033) 1.018 11.010 ( -0.479 0.475 1.169) 1.350 11.088 ( 0.438 -2.371 -0.336) 2.434 11.164 ( -0.659 0.779 3.443) 3.591 11.402 ( 1.954 -4.408 -3.831) 6.158 12.018 ( -0.567 -1.437 0.661) 1.681 12.033 ( 0.814 -1.940 -0.280) 2.122 12.129 ( -0.352 1.318 0.833) 1.599 12.151 ( 0.382 2.096 0.106) 2.134 12.384 ( -1.083 -1.151 1.046) 1.896 12.434 ( 1.223 0.363 -2.165) 2.514 12.464 ( 0.522 0.129 -1.260) 1.369 12.491 ( 0.254 0.741 -1.855) 2.014 12.716 ( 0.141 -2.491 1.025) 2.697 12.808 ( -0.747 3.535 0.054) 3.613 12.943 ( 0.192 -0.821 -1.716) 1.912 12.954 ( 1.413 0.946 -1.682) 2.392 13.063 ( 2.075 -2.782 -4.063) 5.343 13.122 ( 1.783 0.573 -4.883) 5.230 13.245 ( 2.533 -0.285 -3.117) 4.027 13.284 ( -0.192 0.258 -2.226) 2.249 ======================= Grid point 121 (65/97) ======================= q-point: (-0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( -1.044 16.294 14.037) 21.531 1.703 ( -1.573 7.070 7.201) 10.213 1.977 ( 2.067 -0.662 1.165) 2.463 2.183 ( -6.194 0.495 5.439) 8.258 2.297 ( -1.132 0.731 5.019) 5.197 2.514 ( -3.553 -6.748 1.685) 7.810 2.584 ( -6.393 0.812 4.782) 8.025 2.694 ( 2.683 -4.297 -3.836) 6.354 2.795 ( 0.244 -7.255 2.723) 7.753 2.933 ( -2.498 0.603 9.476) 9.818 3.024 ( 0.969 -1.971 -2.839) 3.589 3.078 ( -1.964 3.225 -2.834) 4.721 3.278 ( 6.891 -3.167 -4.549) 8.844 3.354 ( 0.050 1.568 6.354) 6.545 3.459 ( -1.252 1.921 2.031) 3.063 3.582 ( 0.830 -3.492 -2.144) 4.181 3.670 ( -1.740 2.736 -1.639) 3.633 3.687 ( 0.175 0.962 -0.720) 1.215 3.787 ( -2.620 -0.286 5.077) 5.720 3.868 ( -0.954 -2.135 -2.871) 3.703 3.940 ( 3.031 5.124 3.938) 7.138 4.098 ( 0.384 -9.075 1.686) 9.238 4.179 ( -5.661 2.070 6.884) 9.150 4.300 ( -0.706 4.727 -3.317) 5.818 4.416 ( -0.003 9.457 -2.347) 9.744 4.468 ( 0.637 2.539 3.810) 4.622 4.576 ( -1.938 -0.276 1.745) 2.622 4.786 ( -2.201 6.545 1.226) 7.013 4.875 ( 0.496 -4.175 -2.310) 4.797 4.957 ( -1.342 0.642 -2.196) 2.652 5.020 ( 1.528 -2.290 -0.080) 2.755 5.072 ( 1.697 0.805 -1.540) 2.429 5.176 ( 1.553 -5.127 0.407) 5.373 5.382 ( -1.514 -0.408 -0.674) 1.707 5.426 ( 0.872 -4.177 3.139) 5.297 5.544 ( -0.499 -2.350 2.538) 3.495 5.658 ( -0.047 2.584 -4.208) 4.938 5.749 ( 0.839 -3.685 0.383) 3.798 5.826 ( 2.607 0.457 -3.829) 4.655 5.865 ( -0.679 5.915 -1.885) 6.245 5.911 ( 1.273 -1.074 -0.278) 1.688 6.021 ( -0.200 4.302 -0.936) 4.407 6.095 ( -5.668 -0.389 1.835) 5.970 6.212 ( 3.918 -2.442 -4.856) 6.700 6.307 ( 11.155 -1.734 -6.259) 12.908 6.384 ( -5.010 -0.583 -3.471) 6.123 6.854 ( -0.769 1.902 3.744) 4.270 6.986 ( -0.832 -3.054 3.393) 4.641 7.272 ( 0.744 1.699 -5.120) 5.446 7.317 ( 2.237 -1.375 -2.540) 3.653 7.708 ( -0.289 -3.280 -1.358) 3.562 7.832 ( 0.900 2.961 -1.299) 3.357 7.880 ( -1.223 -7.495 3.020) 8.173 7.977 ( -2.315 8.128 3.953) 9.330 8.180 ( 3.363 -0.631 -3.119) 4.630 8.239 ( 0.480 1.949 -3.776) 4.276 10.047 ( -0.060 2.474 1.035) 2.683 10.076 ( -0.487 -2.911 1.090) 3.146 10.262 ( -0.003 1.837 -0.984) 2.084 10.284 ( 0.494 -1.232 -0.825) 1.563 10.343 ( -0.213 -0.119 -1.942) 1.957 10.443 ( 1.840 -0.163 -0.416) 1.894 10.668 ( -0.082 0.290 -0.430) 0.525 10.700 ( 0.051 -0.647 0.653) 0.920 11.003 ( -0.655 0.452 0.910) 1.209 11.119 ( 0.121 -1.965 -1.007) 2.212 11.164 ( -0.924 0.602 3.388) 3.563 11.445 ( 1.692 -2.015 -5.490) 6.088 12.019 ( -0.904 1.217 1.709) 2.284 12.049 ( -0.047 0.677 0.720) 0.990 12.128 ( 0.210 -1.392 -0.723) 1.582 12.136 ( 0.362 0.373 -0.455) 0.691 12.400 ( -0.486 -1.935 0.692) 2.112 12.434 ( 0.677 0.466 -0.561) 0.995 12.468 ( 0.747 -0.785 -1.602) 1.934 12.475 ( 0.861 0.496 -2.749) 2.923 12.755 ( -0.653 1.736 0.738) 1.996 12.763 ( 0.322 -1.849 0.233) 1.891 12.946 ( 0.230 -0.760 -1.896) 2.056 12.950 ( 1.427 0.915 -1.666) 2.377 13.090 ( 2.210 1.311 -3.578) 4.405 13.098 ( 1.470 -0.151 -5.020) 5.233 13.266 ( 0.872 -0.383 -2.587) 2.756 13.273 ( 1.681 -0.958 -2.909) 3.493 ======================= Grid point 122 (66/97) ======================= q-point: (-0.17 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 3.999 11.365 13.161) 17.843 1.707 ( 5.834 5.103 15.934) 17.719 2.012 ( 0.911 -1.061 -2.697) 3.038 2.136 ( -2.240 3.922 11.141) 12.021 2.315 ( -3.370 -4.397 2.581) 6.111 2.483 ( -5.418 0.978 0.040) 5.505 2.576 ( -8.877 -7.152 4.553) 12.275 2.721 ( 0.894 -0.428 3.987) 4.108 2.877 ( -1.210 0.824 -1.102) 1.832 2.926 ( -3.045 5.819 4.317) 7.859 3.009 ( -1.985 1.805 0.223) 2.692 3.060 ( 0.279 -7.857 -2.826) 8.354 3.282 ( -3.279 6.639 11.300) 13.510 3.350 ( 3.809 -1.857 -5.293) 6.781 3.490 ( 3.429 -0.312 1.045) 3.598 3.568 ( -2.699 0.988 1.105) 3.080 3.625 ( -0.227 2.173 2.543) 3.353 3.690 ( 2.599 -0.337 -5.058) 5.697 3.757 ( 0.741 3.822 -1.069) 4.037 3.861 ( -3.504 -0.728 -1.747) 3.983 4.032 ( 7.108 1.410 2.296) 7.602 4.113 ( -1.541 6.006 1.847) 6.470 4.167 ( -2.587 -1.416 4.844) 5.671 4.232 ( -3.739 -2.743 0.916) 4.727 4.334 ( 4.973 4.121 1.847) 6.718 4.493 ( 1.342 -3.976 -0.254) 4.204 4.597 ( 1.806 -2.308 1.773) 3.425 4.714 ( -1.954 2.790 3.893) 5.173 4.885 ( -2.833 -0.245 -3.856) 4.791 4.944 ( -0.745 -5.777 -1.639) 6.051 5.028 ( -2.200 -2.028 -2.615) 3.974 5.131 ( 3.315 -2.337 1.367) 4.280 5.252 ( -0.057 -3.482 -1.062) 3.641 5.377 ( -0.324 -2.099 -0.519) 2.187 5.412 ( -4.879 2.884 -1.054) 5.764 5.554 ( -4.052 3.465 -2.931) 6.084 5.618 ( 2.545 -3.212 -0.848) 4.185 5.735 ( 0.064 3.377 -3.138) 4.610 5.765 ( -3.417 -1.366 -1.572) 4.002 5.812 ( 4.026 6.035 -5.863) 9.328 5.920 ( -4.338 3.686 0.351) 5.704 6.005 ( 2.141 -1.974 3.035) 4.206 6.153 ( -0.133 -12.116 0.392) 12.123 6.286 ( -2.647 -1.765 -0.687) 3.254 6.324 ( 5.669 -6.199 -4.498) 9.528 6.483 ( 9.817 -2.241 -4.666) 11.099 6.873 ( 1.519 -1.610 2.453) 3.304 7.016 ( -3.587 -1.826 3.706) 5.471 7.214 ( 1.016 3.200 -2.753) 4.342 7.350 ( 1.726 -0.157 -2.854) 3.339 7.684 ( -5.581 0.883 0.907) 5.723 7.741 ( 1.007 13.629 1.795) 13.784 7.826 ( 0.679 6.735 -1.148) 6.866 7.966 ( -0.483 1.846 2.409) 3.073 8.110 ( 4.879 5.997 -3.702) 8.571 8.312 ( -0.341 -8.091 -3.774) 8.934 10.029 ( -0.073 1.010 2.146) 2.373 10.126 ( -0.549 -4.092 0.486) 4.157 10.232 ( -0.054 1.355 -0.543) 1.460 10.314 ( 0.171 -2.368 -1.482) 2.799 10.351 ( 0.612 -2.231 -0.745) 2.431 10.465 ( 2.047 -0.366 -1.845) 2.780 10.664 ( -0.035 0.040 0.378) 0.382 10.710 ( 0.333 0.090 0.446) 0.564 10.994 ( -0.052 0.648 0.601) 0.886 11.122 ( -1.186 -0.298 -1.363) 1.831 11.167 ( -1.107 -0.500 2.579) 2.851 11.431 ( 0.425 1.259 -6.198) 6.338 11.990 ( -0.133 2.804 1.284) 3.087 12.030 ( 0.382 2.245 -0.264) 2.293 12.146 ( -0.744 -1.841 0.869) 2.167 12.152 ( -0.074 -2.248 -0.816) 2.393 12.425 ( -0.455 -0.263 0.111) 0.537 12.430 ( -0.439 -1.541 0.613) 1.716 12.465 ( 1.247 0.218 -3.200) 3.441 12.488 ( 1.378 -1.051 -1.674) 2.410 12.714 ( -0.937 2.388 0.995) 2.751 12.813 ( 0.693 -3.391 -0.046) 3.462 12.944 ( 1.279 0.802 -1.800) 2.349 12.951 ( 0.328 -0.775 -1.753) 1.944 13.050 ( 1.668 3.550 -3.365) 5.168 13.105 ( 2.671 0.321 -5.060) 5.731 13.261 ( -0.099 -0.805 -2.461) 2.591 13.299 ( 2.131 -1.078 -3.123) 3.932 ======================= Grid point 125 (67/97) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 97 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( -7.960 -0.000 4.892) 9.343 2.051 ( 8.337 0.000 -9.723) 12.808 2.071 ( -11.788 -0.000 9.204) 14.956 2.247 ( -5.315 -0.000 5.916) 7.953 2.255 ( -4.039 -0.000 4.644) 6.155 2.353 ( 5.524 0.000 5.709) 7.944 2.527 ( -2.244 -0.000 10.313) 10.554 2.599 ( -3.179 -0.000 9.426) 9.948 2.692 ( -7.729 -0.000 6.782) 10.283 2.977 ( 3.488 0.000 -1.844) 3.945 2.986 ( -3.886 -0.000 -1.023) 4.019 3.059 ( 4.018 0.000 3.609) 5.401 3.091 ( 1.896 0.000 -0.288) 1.918 3.438 ( 1.875 0.000 -3.524) 3.992 3.461 ( -5.715 -0.000 -3.743) 6.831 3.469 ( 1.929 0.000 2.660) 3.285 3.558 ( -2.423 -0.000 -1.927) 3.096 3.592 ( -1.513 -0.000 -0.517) 1.599 3.715 ( 1.756 0.000 -8.642) 8.818 3.889 ( 3.508 0.000 6.830) 7.678 3.891 ( 0.293 0.000 -2.951) 2.965 4.200 ( -1.331 -0.000 8.805) 8.905 4.340 ( -2.691 -0.000 -10.131) 10.482 4.478 ( -5.612 -0.000 -2.180) 6.021 4.482 ( -0.821 -0.000 4.578) 4.651 4.513 ( 9.423 0.000 -0.479) 9.435 4.689 ( 3.183 0.000 -4.223) 5.288 4.850 ( -1.754 -0.000 1.040) 2.039 4.864 ( -1.561 -0.000 -9.557) 9.683 4.993 ( 1.432 0.000 4.709) 4.922 5.061 ( 2.357 0.000 3.889) 4.547 5.110 ( -1.030 -0.000 0.207) 1.050 5.133 ( 3.034 0.000 6.322) 7.012 5.336 ( 0.124 0.000 0.238) 0.269 5.372 ( 0.503 0.000 1.822) 1.890 5.525 ( 1.299 0.000 2.144) 2.507 5.639 ( -0.920 -0.000 3.791) 3.901 5.736 ( 0.179 0.000 -0.614) 0.639 5.740 ( 1.835 0.000 -2.201) 2.865 5.860 ( 9.457 0.000 -5.467) 10.923 5.974 ( -0.111 -0.000 0.640) 0.650 6.034 ( 5.218 0.000 0.130) 5.219 6.196 ( 4.307 0.000 -7.055) 8.266 6.361 ( -17.637 -0.000 7.092) 19.010 6.376 ( -1.489 -0.000 -5.440) 5.640 6.581 ( 0.808 0.000 -7.204) 7.249 6.861 ( -0.960 -0.000 1.832) 2.069 6.889 ( 2.748 0.000 0.293) 2.763 7.277 ( -0.212 -0.000 -0.108) 0.238 7.356 ( 0.696 0.000 0.365) 0.786 7.382 ( -1.881 -0.000 -1.152) 2.206 7.499 ( -0.507 -0.000 -5.441) 5.465 7.874 ( -2.117 -0.000 2.367) 3.176 7.886 ( 4.938 0.000 -1.292) 5.104 8.142 ( -4.020 -0.000 6.290) 7.464 8.415 ( 5.818 0.000 -6.574) 8.779 10.073 ( -0.592 -0.000 0.619) 0.856 10.084 ( 0.653 0.000 -1.745) 1.863 10.320 ( 0.522 0.000 2.211) 2.271 10.359 ( 0.838 0.000 0.347) 0.907 10.390 ( -0.807 -0.000 -2.521) 2.647 10.434 ( 0.069 0.000 -3.090) 3.091 10.664 ( -0.290 -0.000 0.272) 0.397 10.671 ( -1.190 -0.000 -0.715) 1.388 11.026 ( 1.450 0.000 -0.809) 1.660 11.043 ( -1.453 -0.000 1.898) 2.391 11.188 ( -0.638 -0.000 2.891) 2.961 11.316 ( 2.151 0.000 -1.092) 2.412 11.988 ( 0.878 0.000 -1.539) 1.772 11.998 ( 1.389 0.000 -0.253) 1.412 12.159 ( -1.200 -0.000 2.336) 2.626 12.183 ( -0.113 -0.000 1.458) 1.462 12.371 ( -1.294 -0.000 0.737) 1.489 12.435 ( 1.197 0.000 -3.706) 3.895 12.471 ( 0.329 0.000 -1.672) 1.704 12.504 ( 0.045 0.000 -0.422) 0.425 12.679 ( -0.260 -0.000 1.914) 1.931 12.900 ( -0.913 -0.000 -0.453) 1.019 12.911 ( -0.999 -0.000 0.119) 1.006 12.979 ( 2.550 0.000 -4.924) 5.545 12.987 ( 2.011 0.000 -1.983) 2.824 13.117 ( 2.680 0.000 -5.566) 6.177 13.246 ( 1.985 0.000 -3.025) 3.618 13.291 ( -0.359 -0.000 -2.111) 2.141 ======================= Grid point 126 (68/97) ======================= q-point: (-0.50 -0.67 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( -11.806 -8.604 3.214) 14.958 1.919 ( -8.009 4.665 8.817) 12.793 2.164 ( -1.666 -6.054 2.543) 6.775 2.173 ( -1.882 4.860 0.646) 5.252 2.291 ( -4.018 10.513 5.746) 12.637 2.306 ( 4.043 -3.532 -0.297) 5.377 2.522 ( 0.234 -0.987 9.435) 9.489 2.645 ( -2.605 1.763 6.698) 7.400 2.757 ( -0.019 -4.780 3.883) 6.159 2.932 ( -2.594 -0.601 6.061) 6.620 2.996 ( -0.308 -2.549 -4.383) 5.080 3.107 ( 3.404 0.422 2.005) 3.973 3.186 ( 4.568 -2.244 0.871) 5.163 3.372 ( -3.026 3.968 2.287) 5.489 3.445 ( -3.449 -5.455 -1.047) 6.538 3.468 ( 1.918 -1.933 -1.093) 2.934 3.540 ( 1.945 0.984 -1.904) 2.894 3.652 ( 1.836 -3.750 -8.339) 9.325 3.743 ( -1.718 -11.352 -0.735) 11.505 3.874 ( 0.729 1.306 -2.801) 3.175 3.933 ( 3.262 4.551 6.005) 8.210 4.181 ( -4.637 4.033 -0.367) 6.157 4.246 ( -2.854 1.016 -2.829) 4.145 4.408 ( -6.212 -2.607 -1.878) 6.994 4.474 ( -2.188 -2.140 -1.489) 3.404 4.566 ( 3.367 9.885 2.668) 10.779 4.647 ( -1.905 2.944 -0.025) 3.506 4.825 ( -1.499 -2.713 -7.924) 8.509 4.891 ( 6.832 0.658 1.815) 7.100 5.000 ( 1.484 2.143 3.089) 4.042 5.053 ( -0.646 1.773 0.217) 1.899 5.139 ( 3.559 2.328 4.869) 6.465 5.176 ( 1.789 3.489 4.270) 5.797 5.343 ( -0.094 -2.100 1.519) 2.594 5.381 ( -0.581 0.980 0.234) 1.163 5.523 ( 1.738 3.739 3.875) 5.658 5.634 ( 0.391 -1.410 3.049) 3.382 5.744 ( -0.404 -0.015 -0.595) 0.720 5.783 ( 1.878 -0.776 -2.424) 3.163 5.899 ( 3.964 2.747 -2.398) 5.386 5.972 ( 0.858 -1.791 -0.647) 2.089 6.102 ( 1.860 0.124 -0.932) 2.084 6.138 ( -7.774 5.357 -0.641) 9.462 6.261 ( 8.623 -0.390 -5.322) 10.141 6.337 ( -6.714 -0.845 -2.242) 7.129 6.460 ( 1.928 9.771 -7.593) 12.523 6.895 ( -0.409 -3.895 1.227) 4.104 6.930 ( 1.113 0.698 1.588) 2.061 7.226 ( -0.124 3.174 -2.325) 3.936 7.346 ( -0.068 -0.836 -2.680) 2.809 7.464 ( -1.313 -12.106 0.565) 12.190 7.560 ( 1.528 -10.207 -3.091) 10.774 7.856 ( -1.493 -0.041 1.679) 2.247 7.964 ( 1.463 -5.175 -1.106) 5.490 8.117 ( -4.718 1.130 6.553) 8.153 8.429 ( 5.570 3.591 -5.749) 8.773 10.057 ( -1.117 0.845 0.338) 1.441 10.090 ( 1.832 0.349 -1.433) 2.352 10.318 ( -0.614 2.220 0.879) 2.466 10.339 ( 0.637 3.199 0.834) 3.367 10.361 ( -0.551 0.954 -2.757) 2.968 10.435 ( 0.933 -0.679 -1.489) 1.884 10.661 ( -0.708 -0.837 -0.872) 1.401 10.670 ( -0.108 -0.926 0.381) 1.007 11.018 ( -1.121 0.943 1.376) 2.010 11.059 ( 0.459 -1.899 -0.333) 1.982 11.187 ( -0.891 0.950 3.253) 3.504 11.369 ( 3.628 -2.899 -1.686) 4.940 11.999 ( 0.575 -1.077 -0.663) 1.389 12.019 ( 0.812 -1.151 -0.416) 1.469 12.150 ( -0.728 1.291 2.069) 2.545 12.182 ( 0.140 1.301 0.966) 1.626 12.366 ( -0.823 -0.540 0.973) 1.384 12.433 ( 1.509 -0.322 -3.568) 3.887 12.465 ( 0.209 0.232 -1.455) 1.488 12.496 ( 0.253 0.737 -1.271) 1.490 12.697 ( -0.081 -1.406 1.751) 2.248 12.847 ( -0.904 3.669 0.054) 3.779 12.922 ( -0.442 -1.372 -0.673) 1.591 12.975 ( 1.774 0.739 -2.651) 3.274 13.024 ( 2.178 -2.881 -3.893) 5.311 13.118 ( 1.943 -0.246 -5.444) 5.785 13.257 ( 2.676 -0.043 -3.074) 4.076 13.273 ( -0.326 0.326 -2.008) 2.060 ======================= Grid point 127 (69/97) ======================= q-point: (-0.33 -0.67 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( -11.251 -6.912 4.516) 13.956 1.872 ( -5.166 -2.171 7.628) 9.465 2.069 ( 2.576 15.112 9.039) 17.797 2.112 ( -4.166 0.862 0.507) 4.284 2.287 ( -9.656 -10.666 6.188) 15.662 2.406 ( 5.140 0.566 2.216) 5.626 2.591 ( -1.659 -1.417 3.363) 4.009 2.620 ( 1.709 -1.748 0.603) 2.518 2.777 ( 0.628 1.391 0.664) 1.665 2.983 ( -1.261 -0.188 7.231) 7.343 2.987 ( -0.515 -0.820 0.191) 0.987 3.108 ( 0.335 4.343 -1.366) 4.564 3.243 ( 0.349 -4.598 -0.894) 4.697 3.388 ( 4.351 -2.911 2.347) 5.738 3.498 ( -1.043 1.322 0.038) 1.685 3.553 ( -0.840 -4.849 2.445) 5.495 3.555 ( 0.199 -9.259 3.066) 9.755 3.647 ( 1.773 -1.218 -8.847) 9.105 3.836 ( 0.399 2.888 -1.517) 3.286 3.889 ( 0.246 0.307 -0.367) 0.538 3.955 ( 3.842 -7.847 -0.498) 8.751 4.046 ( -4.118 4.177 3.469) 6.815 4.164 ( -6.329 4.546 2.354) 8.140 4.371 ( -2.387 4.681 -1.373) 5.431 4.430 ( -3.632 1.020 4.062) 5.543 4.472 ( -2.990 -2.283 -0.576) 3.806 4.626 ( 3.551 5.273 -0.974) 6.431 4.770 ( -3.145 0.636 -5.098) 6.024 4.900 ( 0.590 3.208 0.746) 3.347 4.987 ( 0.509 5.043 0.188) 5.072 5.080 ( 4.116 4.587 1.804) 6.421 5.141 ( 3.670 3.574 2.493) 5.697 5.171 ( 2.498 0.014 1.932) 3.158 5.347 ( -1.922 0.046 -1.356) 2.352 5.413 ( 0.421 -3.051 3.200) 4.442 5.530 ( -0.838 -0.176 3.874) 3.967 5.684 ( -0.930 3.124 -1.918) 3.781 5.707 ( -1.523 -2.881 2.661) 4.207 5.793 ( 2.053 -2.612 -3.158) 4.584 5.882 ( -0.417 0.587 0.881) 1.138 5.982 ( -1.999 6.575 -3.611) 7.763 6.019 ( -0.871 -1.788 -1.728) 2.634 6.082 ( 1.403 4.421 -1.093) 4.765 6.218 ( -1.123 3.500 -3.175) 4.857 6.306 ( -0.869 0.981 -7.620) 7.732 6.433 ( 12.827 0.191 -4.661) 13.649 6.899 ( -1.277 2.720 2.360) 3.821 6.952 ( -0.408 -2.172 2.877) 3.628 7.215 ( -0.349 -3.485 -2.846) 4.513 7.338 ( 1.793 0.928 -5.144) 5.526 7.607 ( -1.607 -9.533 -0.401) 9.676 7.735 ( 1.742 -12.405 0.493) 12.537 7.862 ( 0.235 -1.355 1.045) 1.728 8.044 ( -2.535 -7.400 -0.214) 7.825 8.064 ( -2.373 3.698 3.271) 5.478 8.379 ( 3.992 8.395 -4.546) 10.348 10.043 ( -1.217 -0.766 0.724) 1.610 10.092 ( 1.517 1.989 -0.579) 2.567 10.278 ( -0.156 1.913 0.107) 1.923 10.306 ( 0.301 3.176 -0.198) 3.196 10.336 ( 0.156 0.498 -1.224) 1.331 10.448 ( 0.985 -0.793 -1.747) 2.157 10.662 ( -0.322 -0.586 -0.487) 0.828 10.688 ( 0.077 -1.340 0.428) 1.408 11.004 ( -1.109 0.247 1.606) 1.967 11.085 ( 0.178 -1.690 -1.041) 1.993 11.179 ( -1.410 0.829 3.109) 3.513 11.435 ( 4.066 -1.341 -3.232) 5.364 12.016 ( -0.249 -0.989 0.727) 1.252 12.039 ( -0.296 -1.512 -0.055) 1.541 12.133 ( -0.101 1.525 0.946) 1.798 12.162 ( 0.452 2.356 -0.174) 2.405 12.378 ( -0.305 -1.312 1.069) 1.720 12.441 ( 1.117 -0.081 -1.946) 2.246 12.456 ( 0.361 -0.385 -1.868) 1.941 12.482 ( 0.871 0.848 -2.120) 2.444 12.731 ( 0.025 -2.476 1.123) 2.718 12.792 ( -0.697 3.275 0.335) 3.365 12.930 ( 0.228 -0.831 -1.509) 1.737 12.971 ( 1.397 0.899 -1.785) 2.438 13.065 ( 1.878 -2.779 -4.554) 5.656 13.111 ( 1.872 0.537 -4.614) 5.008 13.254 ( -0.052 0.372 -2.229) 2.260 13.276 ( 2.598 -0.432 -3.044) 4.025 ======================= Grid point 128 (70/97) ======================= q-point: (-0.17 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( -4.647 -5.241 5.437) 8.867 1.905 ( -5.357 -3.802 11.567) 13.302 1.987 ( -0.170 4.116 2.998) 5.095 2.104 ( 1.424 0.010 3.799) 4.057 2.326 ( -7.172 -5.741 4.859) 10.393 2.409 ( -0.514 5.312 5.933) 7.980 2.536 ( -1.833 4.660 5.892) 7.733 2.740 ( 1.128 0.329 0.190) 1.191 2.800 ( 2.596 -9.860 -4.472) 11.133 2.931 ( -3.236 0.007 -5.441) 6.331 3.014 ( -1.065 4.087 8.280) 9.295 3.066 ( 1.136 2.184 1.706) 2.994 3.283 ( -0.781 -3.321 -4.853) 5.932 3.390 ( -4.957 8.214 2.764) 9.984 3.529 ( 6.579 -4.422 0.072) 7.927 3.596 ( 0.292 1.495 0.959) 1.800 3.645 ( -3.841 -7.150 2.069) 8.376 3.668 ( 1.800 2.231 -0.058) 2.867 3.805 ( 1.476 1.568 0.511) 2.213 3.839 ( 0.786 4.240 -0.002) 4.313 4.029 ( -6.354 -7.154 1.633) 9.706 4.093 ( -2.493 -5.369 4.077) 7.188 4.121 ( 4.075 -2.777 1.080) 5.048 4.263 ( -3.125 7.286 7.893) 11.187 4.417 ( -0.244 -1.499 -4.372) 4.628 4.499 ( 1.626 -1.547 1.423) 2.658 4.582 ( 2.917 2.730 -2.550) 4.740 4.712 ( -2.863 0.635 1.198) 3.168 4.878 ( -0.782 -1.129 -2.000) 2.426 4.918 ( 1.600 6.197 -1.830) 6.657 5.023 ( 0.597 4.685 2.301) 5.253 5.167 ( 1.701 0.965 2.449) 3.134 5.228 ( 1.809 -0.307 -0.655) 1.949 5.328 ( -1.586 -2.457 -1.534) 3.302 5.389 ( -3.995 3.096 0.450) 5.075 5.540 ( -2.081 0.948 1.298) 2.629 5.619 ( 0.421 0.687 -2.226) 2.367 5.719 ( -1.796 0.648 -0.257) 1.926 5.804 ( 0.952 6.392 -3.346) 7.277 5.884 ( 1.428 2.285 -1.529) 3.098 5.953 ( 2.116 -7.750 -0.717) 8.065 5.968 ( 1.776 3.206 -2.186) 4.267 6.038 ( -1.567 -0.656 -0.572) 1.792 6.242 ( -0.034 0.059 -4.320) 4.321 6.248 ( 1.138 -6.343 -4.561) 7.895 6.571 ( 9.323 -1.110 -0.859) 9.428 6.881 ( -0.401 -0.341 1.236) 1.343 6.970 ( -3.352 -1.017 3.811) 5.177 7.244 ( 0.394 -1.343 -2.511) 2.875 7.318 ( 1.863 -0.119 -4.833) 5.181 7.653 ( -0.946 -0.931 -1.530) 2.025 7.857 ( 1.040 -1.667 -0.794) 2.119 7.912 ( -0.075 3.782 4.021) 5.521 7.957 ( -1.797 1.264 2.519) 3.342 8.155 ( -0.956 -10.439 -2.913) 10.880 8.264 ( 3.270 10.243 -3.895) 11.436 10.053 ( -0.518 -0.267 1.098) 1.243 10.077 ( -0.341 -0.482 0.720) 0.930 10.259 ( 0.548 2.436 -0.328) 2.519 10.283 ( 0.291 -1.029 -1.336) 1.711 10.339 ( 0.845 -0.561 0.130) 1.023 10.458 ( 0.639 -1.136 -3.164) 3.422 10.665 ( -0.113 -0.244 0.490) 0.559 10.706 ( -0.058 -0.884 0.081) 0.890 11.002 ( -0.581 -0.076 1.582) 1.687 11.093 ( -0.148 -0.471 -1.586) 1.661 11.166 ( -1.763 0.537 2.824) 3.372 11.451 ( 3.036 2.291 -4.398) 5.815 12.024 ( -0.148 0.732 1.384) 1.572 12.048 ( -0.870 -0.303 0.928) 1.307 12.125 ( 0.179 -0.274 -0.389) 0.509 12.136 ( 0.238 1.130 -0.825) 1.420 12.402 ( 0.148 -1.762 0.434) 1.821 12.427 ( -0.803 0.952 -0.008) 1.245 12.467 ( 0.836 -0.066 -1.970) 2.141 12.480 ( 1.725 -0.894 -2.714) 3.338 12.745 ( -0.545 2.911 0.649) 3.032 12.774 ( 0.040 -3.164 0.367) 3.186 12.935 ( 0.623 -0.729 -1.893) 2.122 12.964 ( 1.081 1.042 -1.706) 2.273 13.080 ( 1.655 0.423 -4.574) 4.883 13.110 ( 2.570 -0.210 -4.034) 4.788 13.240 ( 0.317 -0.056 -2.573) 2.594 13.294 ( 1.805 -0.642 -2.909) 3.483 ======================= Grid point 132 (71/97) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( -13.642 -0.000 3.170) 14.005 1.845 ( -17.968 -0.000 19.178) 26.280 2.009 ( -15.555 -0.000 -2.288) 15.723 2.171 ( 5.928 0.000 -10.110) 11.719 2.347 ( 9.622 0.000 -3.355) 10.190 2.445 ( -2.047 -0.000 11.381) 11.563 2.626 ( 0.172 0.000 9.349) 9.351 2.704 ( 2.885 0.000 2.859) 4.062 2.722 ( 2.298 0.000 11.835) 12.056 2.918 ( -1.945 -0.000 -3.356) 3.879 2.944 ( -0.940 -0.000 7.160) 7.222 3.140 ( -2.468 -0.000 6.500) 6.953 3.261 ( 5.919 0.000 -1.158) 6.031 3.289 ( -3.390 -0.000 -3.629) 4.966 3.464 ( 2.084 0.000 0.959) 2.294 3.498 ( 0.692 0.000 -2.528) 2.621 3.555 ( -0.459 -0.000 -0.242) 0.519 3.577 ( 3.483 0.000 0.583) 3.531 3.627 ( -0.247 -0.000 -8.492) 8.496 3.888 ( 1.470 0.000 -1.976) 2.462 4.014 ( -2.238 -0.000 8.625) 8.911 4.159 ( -2.590 -0.000 -9.137) 9.497 4.203 ( -1.837 -0.000 3.329) 3.802 4.301 ( -5.893 -0.000 -2.057) 6.242 4.400 ( -2.328 -0.000 -4.400) 4.978 4.641 ( -6.510 -0.000 2.789) 7.083 4.666 ( -2.315 -0.000 -4.243) 4.833 4.762 ( 6.453 0.000 -5.732) 8.631 5.001 ( -3.685 -0.000 1.832) 4.115 5.022 ( 9.722 0.000 4.096) 10.549 5.079 ( 2.217 0.000 1.423) 2.634 5.232 ( -0.334 -0.000 4.569) 4.581 5.232 ( 3.167 0.000 4.052) 5.143 5.307 ( -1.334 -0.000 -0.364) 1.383 5.401 ( 0.771 0.000 -0.545) 0.944 5.604 ( 3.777 0.000 2.143) 4.343 5.641 ( -5.766 -0.000 7.127) 9.167 5.757 ( 2.290 0.000 -4.103) 4.699 5.773 ( 2.625 0.000 0.238) 2.636 5.927 ( -0.205 -0.000 -3.558) 3.564 5.964 ( -1.102 -0.000 0.894) 1.418 6.063 ( -7.712 -0.000 2.494) 8.106 6.140 ( 2.652 0.000 -3.366) 4.285 6.246 ( 2.957 0.000 -5.845) 6.550 6.389 ( 9.160 0.000 -1.660) 9.309 6.499 ( -0.609 -0.000 -8.265) 8.287 6.848 ( -1.060 -0.000 -0.016) 1.060 6.971 ( 2.953 0.000 1.330) 3.239 7.258 ( -0.846 -0.000 -0.360) 0.920 7.313 ( -1.884 -0.000 -1.020) 2.142 7.394 ( 2.083 0.000 -1.163) 2.386 7.433 ( -0.276 -0.000 -4.836) 4.844 7.836 ( -2.316 -0.000 1.412) 2.712 7.954 ( 1.441 0.000 -0.371) 1.488 8.094 ( -5.955 -0.000 7.117) 9.280 8.487 ( 5.035 0.000 -5.521) 7.472 10.048 ( -1.653 -0.000 0.131) 1.658 10.113 ( 3.037 0.000 -1.938) 3.603 10.333 ( -0.670 -0.000 1.371) 1.526 10.347 ( 0.049 0.000 -1.776) 1.777 10.382 ( 0.075 0.000 -0.008) 0.075 10.423 ( 0.481 0.000 -1.291) 1.377 10.639 ( -0.734 -0.000 -0.771) 1.065 10.666 ( 0.295 0.000 0.008) 0.295 11.015 ( -1.835 -0.000 1.722) 2.516 11.056 ( 1.364 0.000 -0.363) 1.411 11.194 ( -1.719 -0.000 2.542) 3.069 11.398 ( 5.343 0.000 -0.933) 5.424 11.997 ( 0.797 0.000 -0.890) 1.195 12.016 ( 0.253 0.000 -0.565) 0.619 12.162 ( -0.740 -0.000 2.402) 2.513 12.197 ( 0.023 0.000 1.135) 1.135 12.362 ( -0.097 -0.000 0.909) 0.915 12.429 ( 1.920 0.000 -4.077) 4.506 12.462 ( 0.321 0.000 -1.496) 1.530 12.498 ( 0.387 0.000 -1.473) 1.523 12.696 ( -0.339 -0.000 2.092) 2.119 12.882 ( -1.298 -0.000 0.099) 1.301 12.883 ( -0.378 -0.000 0.438) 0.579 12.980 ( 2.210 0.000 -5.349) 5.788 13.016 ( 1.814 0.000 -1.778) 2.540 13.107 ( 1.831 0.000 -5.872) 6.151 13.264 ( 0.206 0.000 -2.069) 2.079 13.273 ( 2.649 0.000 -2.988) 3.994 ======================= Grid point 133 (72/97) ======================= q-point: (-0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( -9.346 -11.595 1.787) 15.000 1.693 ( -19.636 0.100 6.688) 20.744 1.896 ( -16.415 -12.145 8.845) 22.253 2.200 ( 5.425 -0.498 -6.662) 8.606 2.430 ( 2.207 11.870 12.632) 17.474 2.474 ( 9.425 -3.372 -3.459) 10.591 2.575 ( -2.993 4.400 11.298) 12.489 2.683 ( -0.168 5.240 0.779) 5.300 2.834 ( 2.020 1.567 5.697) 6.244 2.902 ( -2.604 -2.797 -2.757) 4.712 3.047 ( 2.759 -4.670 8.639) 10.200 3.153 ( -3.600 -1.314 5.010) 6.308 3.189 ( -3.515 4.972 1.948) 6.392 3.333 ( -2.295 -5.037 -1.944) 5.867 3.450 ( 4.177 -1.895 1.488) 4.822 3.551 ( 1.095 0.016 -1.790) 2.098 3.567 ( 3.074 -1.339 -0.868) 3.464 3.610 ( 3.478 -1.699 -5.380) 6.628 3.724 ( 0.818 -13.991 -0.278) 14.018 3.863 ( 0.709 2.707 -5.339) 6.028 4.012 ( -6.999 0.185 3.697) 7.918 4.056 ( 2.959 4.691 1.194) 5.673 4.163 ( -3.869 4.130 -0.742) 5.707 4.287 ( -1.993 -5.773 -0.464) 6.125 4.400 ( -2.870 -3.636 0.824) 4.705 4.490 ( -4.316 8.253 1.264) 9.399 4.629 ( -3.768 -2.052 -6.389) 7.696 4.786 ( 2.352 3.396 -0.177) 4.135 4.941 ( -0.952 3.448 -0.489) 3.610 5.085 ( 2.331 4.069 2.435) 5.284 5.174 ( 6.293 -0.531 1.083) 6.407 5.221 ( -0.295 1.326 2.952) 3.249 5.239 ( 0.776 2.932 0.764) 3.128 5.332 ( -1.047 -0.602 0.032) 1.208 5.386 ( 0.454 -0.087 1.313) 1.392 5.574 ( -3.694 2.679 6.572) 8.001 5.666 ( -0.844 1.402 2.715) 3.170 5.717 ( 2.324 1.634 -1.089) 3.042 5.808 ( 2.756 1.614 -3.702) 4.889 5.880 ( -1.748 0.884 -1.500) 2.467 5.981 ( 0.159 -1.284 -2.044) 2.419 6.010 ( 2.450 0.593 -2.784) 3.756 6.130 ( -1.389 1.947 -3.958) 4.624 6.235 ( 1.688 3.572 -2.183) 4.513 6.348 ( 1.722 8.661 -6.788) 11.138 6.533 ( 7.141 -2.229 -0.610) 7.506 6.856 ( -2.249 -2.752 -0.912) 3.669 6.997 ( 1.351 1.982 2.636) 3.564 7.202 ( 0.115 4.151 -1.242) 4.334 7.314 ( 0.732 -2.518 -4.035) 4.812 7.437 ( -0.688 -11.081 -0.310) 11.107 7.583 ( 2.530 -14.209 -1.686) 14.531 7.835 ( -0.381 -2.017 0.200) 2.063 7.960 ( -1.659 -0.974 0.342) 1.954 8.066 ( -4.794 -0.414 5.242) 7.115 8.482 ( 3.203 4.221 -4.652) 7.050 10.026 ( -1.640 0.175 0.567) 1.744 10.133 ( 2.901 1.236 -2.053) 3.763 10.308 ( -1.181 2.608 0.786) 2.969 10.344 ( 0.748 0.477 -0.578) 1.059 10.353 ( 0.256 2.779 0.176) 2.797 10.430 ( 0.126 -0.809 -2.180) 2.329 10.640 ( -0.300 -1.380 -0.451) 1.483 10.677 ( 0.308 -0.897 -0.009) 0.949 11.003 ( -1.055 0.373 1.926) 2.228 11.076 ( 1.268 -0.627 -0.450) 1.484 11.180 ( -2.097 0.292 2.196) 3.051 11.464 ( 5.483 -0.716 -2.276) 5.980 12.005 ( 0.148 -0.697 -0.338) 0.789 12.015 ( -0.780 -0.810 -0.511) 1.235 12.158 ( -0.439 1.225 1.966) 2.357 12.193 ( 0.150 1.444 0.351) 1.493 12.373 ( 0.482 -0.421 1.050) 1.230 12.438 ( 2.256 -0.781 -3.768) 4.461 12.454 ( 0.207 0.656 -1.228) 1.408 12.491 ( 0.761 0.582 -1.873) 2.104 12.710 ( -0.543 -1.325 1.770) 2.277 12.831 ( -0.560 3.406 0.357) 3.470 12.910 ( -0.024 -1.642 -0.266) 1.663 12.981 ( 1.500 -0.243 -3.430) 3.751 13.031 ( 1.376 -1.464 -3.243) 3.815 13.103 ( 1.901 -0.704 -5.494) 5.856 13.255 ( 1.027 0.628 -2.394) 2.680 13.287 ( 2.252 -0.031 -2.886) 3.661 ======================= Grid point 134 (73/97) ======================= q-point: (-0.17 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( -3.189 -9.929 2.101) 10.638 1.571 ( -18.187 -15.879 4.012) 24.475 1.958 ( -8.807 -9.767 7.283) 15.033 2.227 ( 0.046 -1.127 -0.188) 1.143 2.346 ( 4.114 13.941 11.193) 18.345 2.538 ( 1.614 6.388 5.948) 8.876 2.590 ( -3.492 -1.069 8.738) 9.470 2.681 ( 3.402 -6.745 -3.793) 8.453 2.806 ( 2.115 6.861 -0.502) 7.197 2.890 ( -0.621 0.412 -1.904) 2.045 3.094 ( -0.227 2.318 1.080) 2.568 3.125 ( 0.222 3.540 7.893) 8.653 3.185 ( -3.931 -5.682 -0.835) 6.959 3.355 ( -7.014 -6.160 2.855) 9.762 3.509 ( -2.586 1.609 2.311) 3.823 3.566 ( 1.909 -2.621 -2.486) 4.086 3.611 ( 4.755 -3.677 1.480) 6.191 3.715 ( 4.719 -2.054 -1.539) 5.372 3.809 ( 1.056 -1.106 -5.154) 5.376 3.874 ( 1.816 -3.111 -4.965) 6.134 3.907 ( -7.585 0.975 2.240) 7.969 4.079 ( -1.749 1.514 8.113) 8.436 4.139 ( 3.229 -2.383 5.441) 6.761 4.271 ( -3.055 -0.185 -2.739) 4.107 4.399 ( -3.467 0.389 2.062) 4.053 4.438 ( -0.608 -2.660 2.358) 3.606 4.583 ( -2.401 -2.919 -4.281) 5.710 4.748 ( -0.707 3.105 2.365) 3.967 4.893 ( 2.658 4.477 -2.001) 5.578 5.033 ( 0.929 7.826 -0.930) 7.935 5.124 ( -0.527 5.855 1.368) 6.036 5.204 ( -1.217 0.854 -1.964) 2.463 5.246 ( -1.846 3.728 -0.597) 4.203 5.315 ( 3.643 0.727 2.335) 4.388 5.412 ( 1.189 1.145 0.192) 1.662 5.575 ( 1.535 3.173 4.860) 6.004 5.613 ( -2.414 1.336 2.592) 3.785 5.724 ( 0.109 0.809 -2.266) 2.408 5.801 ( 2.192 -2.996 -4.902) 6.149 5.886 ( -0.335 -2.877 1.919) 3.475 5.944 ( 1.412 5.885 -4.719) 7.674 6.019 ( -3.152 2.405 -3.536) 5.312 6.054 ( 6.250 1.009 -4.322) 7.665 6.196 ( 0.782 1.682 -1.221) 2.221 6.251 ( 2.877 4.505 -7.791) 9.448 6.629 ( 1.297 -2.206 3.458) 4.302 6.838 ( -3.594 -1.150 -0.799) 3.857 6.986 ( -0.507 2.749 4.502) 5.299 7.192 ( 1.476 -2.694 -1.937) 3.631 7.336 ( 2.507 -0.156 -5.497) 6.044 7.585 ( 1.773 -9.193 -2.214) 9.620 7.791 ( 1.830 -10.775 1.164) 10.991 7.880 ( -0.114 -3.487 0.991) 3.627 7.978 ( -1.966 -7.031 0.086) 7.301 8.029 ( -2.581 2.123 1.081) 3.512 8.400 ( 1.258 8.462 -3.493) 9.240 10.021 ( -1.216 -1.497 1.015) 2.179 10.117 ( 0.943 3.416 -0.381) 3.564 10.272 ( -0.354 0.710 -0.520) 0.948 10.311 ( 0.426 3.528 -0.379) 3.574 10.355 ( 1.459 0.433 0.426) 1.580 10.424 ( -0.383 -0.945 -3.319) 3.472 10.656 ( -0.023 -1.190 0.190) 1.205 10.693 ( 0.061 -0.983 -0.007) 0.984 11.001 ( -0.637 0.035 1.858) 1.964 11.095 ( 1.465 -0.114 -0.581) 1.580 11.163 ( -1.981 0.281 2.256) 3.016 11.500 ( 3.984 1.755 -4.364) 6.164 12.014 ( -1.138 -1.790 0.748) 2.249 12.023 ( -0.489 -1.453 0.228) 1.550 12.142 ( -0.012 1.777 0.905) 1.994 12.166 ( 0.268 2.674 -0.672) 2.770 12.393 ( 0.812 -0.767 0.520) 1.233 12.435 ( -0.196 1.352 -0.498) 1.454 12.460 ( 1.761 -1.070 -2.683) 3.383 12.482 ( 0.997 0.528 -2.263) 2.528 12.736 ( -0.591 -2.439 1.054) 2.722 12.785 ( -0.125 3.172 0.389) 3.198 12.925 ( 0.695 -0.768 -1.410) 1.749 12.977 ( 0.682 0.734 -1.797) 2.057 13.056 ( 1.523 -2.606 -4.294) 5.248 13.110 ( 1.936 -0.700 -4.652) 5.087 13.246 ( 1.729 1.085 -2.760) 3.433 13.294 ( 1.478 -0.025 -2.750) 3.122 ======================= Grid point 139 (74/97) ======================= q-point: (-0.33 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 97 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -7.788 -0.000 2.232) 8.102 1.477 ( -23.789 -0.000 2.500) 23.920 1.701 ( -9.691 -0.000 18.109) 20.539 2.223 ( 5.568 0.000 -9.343) 10.876 2.510 ( 2.852 0.000 -0.941) 3.003 2.519 ( -4.683 -0.000 15.726) 16.408 2.703 ( 3.445 0.000 0.408) 3.469 2.722 ( -1.399 -0.000 0.947) 1.689 2.877 ( -0.528 -0.000 0.722) 0.894 2.912 ( 1.447 0.000 10.094) 10.197 2.978 ( -7.942 -0.000 10.308) 13.012 3.164 ( -1.724 -0.000 7.518) 7.713 3.247 ( 1.568 0.000 2.453) 2.912 3.288 ( 0.465 0.000 -1.948) 2.003 3.468 ( 2.755 0.000 -3.205) 4.227 3.533 ( 1.188 0.000 -6.759) 6.863 3.534 ( 0.421 0.000 -3.270) 3.298 3.646 ( 4.786 0.000 0.762) 4.847 3.658 ( 0.910 0.000 4.512) 4.603 3.850 ( 1.189 0.000 -11.774) 11.834 3.961 ( -6.326 -0.000 6.091) 8.782 4.097 ( -0.562 -0.000 1.196) 1.321 4.202 ( -0.359 -0.000 1.302) 1.350 4.208 ( 0.679 0.000 -1.343) 1.505 4.357 ( -2.398 -0.000 4.363) 4.979 4.514 ( -5.542 -0.000 0.413) 5.557 4.514 ( -1.700 -0.000 -7.239) 7.436 4.797 ( -5.552 -0.000 4.741) 7.301 4.980 ( 4.269 0.000 -3.405) 5.461 5.131 ( -1.513 -0.000 2.179) 2.653 5.190 ( -2.947 -0.000 -1.506) 3.309 5.241 ( 3.831 0.000 0.945) 3.946 5.288 ( 0.195 0.000 0.011) 0.195 5.317 ( 0.619 0.000 1.121) 1.281 5.410 ( 1.068 0.000 2.669) 2.875 5.585 ( 0.728 0.000 4.705) 4.761 5.707 ( 2.527 0.000 -0.635) 2.606 5.768 ( 2.023 0.000 -4.763) 5.175 5.806 ( -0.507 -0.000 -6.492) 6.512 5.861 ( 0.020 0.000 1.090) 1.090 5.956 ( -0.472 -0.000 -2.025) 2.079 6.068 ( 4.391 0.000 -0.236) 4.397 6.084 ( 0.174 0.000 -6.019) 6.022 6.303 ( 2.323 0.000 0.069) 2.324 6.405 ( 1.301 0.000 -7.686) 7.795 6.546 ( -0.521 -0.000 4.710) 4.738 6.828 ( 0.899 0.000 -1.024) 1.363 7.035 ( 1.620 0.000 -0.209) 1.633 7.240 ( -0.984 -0.000 1.006) 1.407 7.264 ( -1.910 -0.000 0.071) 1.911 7.406 ( 2.285 0.000 -3.311) 4.023 7.443 ( 3.196 0.000 -1.307) 3.453 7.826 ( 2.267 0.000 -2.016) 3.034 7.945 ( -1.947 -0.000 -0.117) 1.951 8.021 ( -5.923 -0.000 6.244) 8.607 8.515 ( 1.769 0.000 -4.582) 4.912 10.012 ( -1.648 -0.000 1.066) 1.963 10.167 ( 3.431 0.000 -2.803) 4.431 10.309 ( -2.669 -0.000 0.434) 2.704 10.359 ( 1.387 0.000 -0.109) 1.391 10.368 ( -0.212 -0.000 -0.478) 0.523 10.424 ( 0.620 0.000 -0.991) 1.169 10.626 ( 0.280 0.000 -0.270) 0.389 10.673 ( 0.226 0.000 -0.223) 0.317 11.008 ( -0.346 -0.000 1.453) 1.493 11.087 ( 1.469 0.000 -0.028) 1.469 11.165 ( -2.171 -0.000 1.693) 2.753 11.512 ( 5.237 0.000 -3.217) 6.146 11.993 ( -1.526 -0.000 -0.807) 1.726 11.998 ( -0.045 -0.000 -0.576) 0.578 12.172 ( -0.531 -0.000 2.151) 2.215 12.205 ( 0.009 0.000 0.221) 0.221 12.386 ( 0.950 0.000 1.201) 1.531 12.441 ( 2.761 0.000 -4.350) 5.153 12.458 ( 0.571 0.000 -1.102) 1.241 12.494 ( 0.784 0.000 -1.799) 1.962 12.702 ( -1.024 -0.000 2.021) 2.266 12.860 ( -0.441 -0.000 -0.226) 0.495 12.892 ( 0.247 0.000 1.333) 1.355 12.971 ( 1.897 0.000 -5.191) 5.527 13.022 ( 0.144 0.000 -1.581) 1.588 13.089 ( 2.152 0.000 -6.034) 6.406 13.265 ( 2.122 0.000 -2.827) 3.535 13.296 ( 1.748 0.000 -2.724) 3.237 ======================= Grid point 140 (75/97) ======================= q-point: (-0.17 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( -5.435 -17.528 3.171) 18.623 1.268 ( -13.473 -2.739 9.608) 16.773 1.787 ( -4.302 -9.164 14.376) 17.583 2.223 ( 1.199 0.452 -5.884) 6.022 2.499 ( -2.789 2.727 1.010) 4.029 2.553 ( -4.939 -2.241 12.694) 13.804 2.660 ( 1.124 3.746 0.083) 3.912 2.728 ( 1.659 7.369 6.889) 10.224 2.851 ( -0.156 -1.473 0.439) 1.545 2.950 ( 0.621 2.069 1.561) 2.665 3.004 ( -8.177 -7.686 11.879) 16.341 3.159 ( -1.079 6.178 2.005) 6.584 3.187 ( -0.486 2.347 3.362) 4.129 3.286 ( 0.082 1.983 -0.312) 2.009 3.516 ( -0.492 0.420 -4.055) 4.106 3.531 ( 0.638 -1.261 -0.466) 1.488 3.614 ( 6.000 -8.810 1.555) 10.772 3.703 ( 1.499 -2.603 -2.134) 3.685 3.750 ( 1.021 -8.823 -1.013) 8.940 3.788 ( 1.148 0.739 -10.526) 10.615 3.907 ( -4.303 1.968 5.520) 7.271 4.074 ( -1.335 2.416 1.126) 2.980 4.194 ( 1.675 -2.534 0.413) 3.066 4.270 ( 0.883 2.636 2.939) 4.045 4.349 ( -1.682 -3.669 2.362) 4.677 4.425 ( -5.904 2.546 1.882) 6.700 4.501 ( 0.013 -2.162 -1.622) 2.703 4.745 ( -5.723 0.793 5.007) 7.645 4.995 ( 4.215 2.957 -1.423) 5.341 5.096 ( -0.933 2.672 -0.885) 2.965 5.143 ( -3.029 0.384 -3.962) 5.003 5.190 ( -2.083 6.436 -2.117) 7.088 5.298 ( 1.203 1.382 1.568) 2.412 5.359 ( 0.861 -2.417 0.445) 2.604 5.444 ( 3.203 0.729 2.122) 3.911 5.634 ( 2.779 1.797 2.279) 4.018 5.689 ( 1.483 4.023 -0.344) 4.301 5.708 ( -1.628 1.461 -3.858) 4.435 5.783 ( 0.532 -0.871 -5.962) 6.049 5.870 ( 1.785 0.492 -1.497) 2.381 5.943 ( -1.956 -1.133 -1.731) 2.847 6.033 ( -0.010 3.794 -2.349) 4.462 6.110 ( 5.192 1.705 -4.949) 7.373 6.273 ( 2.324 5.736 -1.064) 6.280 6.352 ( 5.314 6.671 -4.800) 9.787 6.559 ( -7.615 -3.426 3.771) 9.162 6.825 ( 0.393 1.804 1.395) 2.314 7.037 ( 0.726 1.575 1.144) 2.078 7.213 ( 0.441 3.339 0.457) 3.399 7.287 ( -0.015 -5.400 -2.286) 5.863 7.457 ( 3.209 -9.947 -0.779) 10.481 7.633 ( 2.368 -15.322 -0.745) 15.522 7.857 ( 1.632 -0.520 -2.112) 2.719 7.905 ( -1.187 -0.803 -0.915) 1.700 8.008 ( -3.965 -1.552 4.130) 5.932 8.475 ( 0.208 4.334 -3.993) 5.897 10.003 ( -1.125 -0.266 1.650) 2.015 10.172 ( 2.014 2.732 -1.865) 3.873 10.268 ( -2.199 0.694 -0.173) 2.312 10.351 ( 0.313 1.874 -0.426) 1.947 10.376 ( 1.113 0.202 -0.575) 1.268 10.415 ( 0.875 1.310 -1.184) 1.970 10.642 ( 0.590 -1.146 0.174) 1.300 10.681 ( 0.114 -0.955 -0.093) 0.967 11.007 ( -0.457 0.356 0.825) 1.008 11.108 ( 1.491 -0.401 -0.045) 1.544 11.154 ( -1.414 -0.107 2.076) 2.514 11.536 ( 3.201 0.979 -5.571) 6.499 11.976 ( -1.742 -1.221 0.022) 2.127 12.002 ( -0.060 -1.167 -0.354) 1.221 12.168 ( -0.456 1.266 1.754) 2.211 12.194 ( -0.026 1.569 -0.376) 1.614 12.404 ( 0.938 -0.058 0.934) 1.325 12.450 ( 1.264 0.828 -2.342) 2.787 12.458 ( 1.782 -0.297 -2.364) 2.975 12.490 ( 0.669 0.617 -1.703) 1.931 12.708 ( -1.150 -1.336 1.681) 2.436 12.830 ( 0.272 3.009 0.094) 3.022 12.916 ( 0.642 -0.996 -0.213) 1.204 12.976 ( 1.019 -0.704 -2.811) 3.072 13.017 ( 0.418 -1.474 -3.074) 3.434 13.093 ( 2.229 -1.078 -5.559) 6.086 13.272 ( 2.643 0.927 -3.115) 4.189 13.297 ( 1.098 0.210 -2.600) 2.830 ======================= Grid point 146 (76/97) ======================= q-point: (-0.17 -0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( -0.829 -0.000 9.570) 9.606 1.197 ( -4.671 -0.000 18.710) 19.285 1.799 ( 3.432 0.000 12.641) 13.098 2.191 ( -1.687 -0.000 -6.516) 6.731 2.472 ( -3.662 -0.000 1.030) 3.804 2.548 ( -5.507 -0.000 12.606) 13.757 2.703 ( -4.306 -0.000 8.588) 9.607 2.800 ( 3.070 0.000 -0.732) 3.156 2.825 ( -11.153 -0.000 10.322) 15.196 2.864 ( -0.516 -0.000 -2.238) 2.297 3.052 ( 1.463 0.000 12.243) 12.330 3.142 ( -5.194 -0.000 0.564) 5.224 3.302 ( 2.389 0.000 -1.113) 2.636 3.306 ( 0.566 0.000 -0.681) 0.885 3.497 ( 0.797 0.000 -5.056) 5.119 3.549 ( 2.219 0.000 1.541) 2.701 3.575 ( 8.074 0.000 -1.394) 8.194 3.672 ( -2.019 -0.000 -2.276) 3.042 3.690 ( -2.599 -0.000 3.827) 4.626 3.758 ( 3.061 0.000 -12.855) 13.214 3.889 ( -4.757 -0.000 5.026) 6.921 4.118 ( 1.074 0.000 5.013) 5.127 4.229 ( 3.030 0.000 -6.854) 7.494 4.238 ( -1.301 -0.000 -1.226) 1.788 4.321 ( 0.236 0.000 3.006) 3.015 4.384 ( -8.039 -0.000 7.553) 11.030 4.536 ( 5.608 0.000 1.557) 5.820 4.711 ( -5.379 -0.000 5.811) 7.919 5.027 ( -0.353 -0.000 0.267) 0.442 5.089 ( -1.106 -0.000 -3.073) 3.266 5.111 ( -0.226 -0.000 -4.702) 4.708 5.211 ( -1.815 -0.000 -1.358) 2.267 5.324 ( 0.386 0.000 3.356) 3.378 5.342 ( 2.138 0.000 -1.664) 2.710 5.487 ( 1.040 0.000 -0.900) 1.376 5.645 ( -3.640 -0.000 -5.502) 6.597 5.695 ( 1.356 0.000 -5.606) 5.767 5.722 ( 0.505 0.000 -6.431) 6.451 5.763 ( 3.735 0.000 2.157) 4.313 5.878 ( -0.918 -0.000 -0.839) 1.244 5.895 ( -3.665 -0.000 -0.194) 3.670 6.058 ( -0.926 -0.000 -0.126) 0.934 6.166 ( 8.262 0.000 -6.021) 10.223 6.330 ( -0.069 -0.000 0.373) 0.380 6.458 ( 7.581 0.000 -4.089) 8.614 6.470 ( -5.590 -0.000 1.536) 5.797 6.865 ( -0.236 -0.000 3.610) 3.618 7.046 ( -0.048 -0.000 -0.868) 0.869 7.232 ( -0.727 -0.000 1.504) 1.671 7.238 ( -0.747 -0.000 2.019) 2.153 7.474 ( 5.271 0.000 -1.681) 5.532 7.495 ( 1.042 0.000 0.304) 1.085 7.860 ( -4.780 -0.000 -0.644) 4.823 7.879 ( 2.751 0.000 -3.354) 4.338 7.984 ( 0.177 0.000 3.193) 3.198 8.479 ( -0.415 -0.000 -4.536) 4.555 10.002 ( -0.653 -0.000 2.370) 2.458 10.206 ( 2.085 0.000 -2.906) 3.577 10.239 ( -2.776 -0.000 0.544) 2.829 10.365 ( 0.130 0.000 -0.442) 0.461 10.389 ( 1.242 0.000 -0.653) 1.403 10.434 ( 1.265 0.000 -0.992) 1.607 10.649 ( 1.398 0.000 0.721) 1.573 10.672 ( -0.033 -0.000 -0.113) 0.118 11.001 ( -0.854 -0.000 -0.651) 1.074 11.120 ( 0.988 0.000 0.194) 1.007 11.155 ( -0.328 -0.000 2.514) 2.535 11.533 ( 0.709 0.000 -7.583) 7.616 11.948 ( -1.348 -0.000 0.221) 1.366 11.991 ( 0.129 0.000 -0.623) 0.636 12.181 ( -0.616 -0.000 1.918) 2.015 12.201 ( -0.242 -0.000 -0.404) 0.471 12.417 ( 0.248 0.000 1.327) 1.350 12.460 ( 2.703 0.000 -4.549) 5.291 12.465 ( 0.982 0.000 -1.056) 1.442 12.493 ( 0.415 0.000 -1.125) 1.200 12.692 ( -1.457 -0.000 1.934) 2.421 12.860 ( 0.821 0.000 -0.452) 0.937 12.917 ( 0.482 0.000 1.387) 1.468 12.961 ( 1.717 0.000 -4.659) 4.965 12.997 ( -0.500 -0.000 -1.702) 1.774 13.083 ( 2.709 0.000 -6.004) 6.587 13.294 ( 2.843 0.000 -3.396) 4.428 13.296 ( 0.601 0.000 -2.452) 2.524 ======================= Grid point 147 (77/97) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 97 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 4.930 0.000 13.018) 13.920 1.786 ( 1.986 0.000 -8.809) 9.030 2.070 ( 5.504 0.000 15.151) 16.120 2.336 ( -6.584 -0.000 -1.688) 6.797 2.394 ( 4.361 0.000 10.421) 11.296 2.603 ( -8.122 -0.000 1.188) 8.208 2.701 ( -1.658 -0.000 -1.495) 2.233 2.721 ( 0.321 0.000 -5.472) 5.482 2.807 ( 2.901 0.000 -0.269) 2.914 2.874 ( -2.184 -0.000 -5.384) 5.810 2.961 ( -5.105 -0.000 5.718) 7.665 3.149 ( 3.019 0.000 -10.896) 11.307 3.316 ( -3.401 -0.000 9.183) 9.793 3.428 ( -1.429 -0.000 -1.419) 2.014 3.500 ( -0.382 -0.000 7.131) 7.141 3.551 ( 0.162 0.000 -2.264) 2.270 3.590 ( 2.876 0.000 -1.483) 3.236 3.595 ( -0.450 -0.000 -2.216) 2.261 3.664 ( -1.414 -0.000 2.254) 2.661 3.753 ( 7.175 0.000 -3.433) 7.954 3.935 ( -8.494 -0.000 4.976) 9.844 4.053 ( 6.617 0.000 -7.049) 9.668 4.251 ( -3.355 -0.000 13.672) 14.077 4.423 ( 0.040 0.000 4.520) 4.520 4.499 ( 2.555 0.000 2.466) 3.551 4.565 ( 5.030 0.000 -9.157) 10.447 4.598 ( -4.935 -0.000 11.474) 12.490 4.749 ( 0.098 0.000 0.730) 0.737 4.932 ( 1.562 0.000 -2.830) 3.232 4.969 ( -0.616 -0.000 -2.803) 2.870 5.039 ( -2.110 -0.000 -7.149) 7.454 5.042 ( -1.175 -0.000 -5.111) 5.244 5.244 ( -2.951 -0.000 -1.050) 3.133 5.249 ( 3.626 0.000 -2.020) 4.151 5.429 ( -2.005 -0.000 2.654) 3.327 5.463 ( -0.101 -0.000 -0.859) 0.865 5.633 ( 1.520 0.000 0.504) 1.601 5.670 ( 2.009 0.000 -0.454) 2.059 5.733 ( -2.797 -0.000 -0.890) 2.935 5.765 ( -2.188 -0.000 -2.316) 3.186 5.992 ( -0.387 -0.000 4.070) 4.088 6.037 ( -2.473 -0.000 0.679) 2.564 6.237 ( -7.787 -0.000 -1.402) 7.912 6.271 ( 13.680 0.000 -3.886) 14.221 6.444 ( -1.547 -0.000 2.038) 2.559 6.510 ( 5.050 0.000 -3.924) 6.395 6.949 ( -1.884 -0.000 3.080) 3.610 6.999 ( -0.160 -0.000 -1.650) 1.658 7.289 ( -0.724 -0.000 2.399) 2.506 7.309 ( 0.616 0.000 0.672) 0.912 7.516 ( -2.368 -0.000 1.741) 2.940 7.560 ( 4.505 0.000 -2.182) 5.006 7.712 ( -7.557 -0.000 2.734) 8.036 7.819 ( 6.178 0.000 -6.157) 8.723 8.142 ( 1.037 0.000 6.320) 6.405 8.285 ( -0.349 -0.000 -6.892) 6.901 10.084 ( 0.462 0.000 2.477) 2.520 10.134 ( -0.841 -0.000 -2.468) 2.607 10.283 ( -0.944 -0.000 4.456) 4.555 10.363 ( -0.302 -0.000 0.768) 0.825 10.370 ( 1.454 0.000 -2.569) 2.952 10.399 ( 1.031 0.000 -3.276) 3.434 10.686 ( 0.006 0.000 0.914) 0.914 10.701 ( 0.341 0.000 -0.258) 0.428 11.001 ( 1.832 0.000 2.463) 3.069 11.071 ( -2.672 -0.000 -3.529) 4.426 11.228 ( -0.735 -0.000 2.131) 2.254 11.283 ( 0.092 0.000 -3.895) 3.896 11.951 ( 0.170 0.000 0.251) 0.303 11.963 ( 0.177 0.000 -1.049) 1.064 12.197 ( -0.274 -0.000 0.653) 0.708 12.204 ( -0.443 -0.000 0.296) 0.533 12.407 ( 0.552 0.000 -0.986) 1.130 12.415 ( 0.282 0.000 -1.221) 1.254 12.484 ( -1.107 -0.000 1.322) 1.724 12.499 ( 0.818 0.000 0.033) 0.819 12.741 ( -2.566 -0.000 4.307) 5.014 12.845 ( 2.994 0.000 -5.062) 5.881 12.899 ( 0.789 0.000 0.320) 0.852 12.925 ( 0.106 0.000 -1.797) 1.800 12.954 ( -1.102 -0.000 0.824) 1.377 12.992 ( 2.139 0.000 -3.123) 3.785 13.245 ( -0.938 -0.000 -0.402) 1.020 13.261 ( 1.718 0.000 -1.884) 2.550 ======================= Grid point 148 (78/97) ======================= q-point: ( 0.17 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 2.313 -1.352 6.680) 7.197 1.768 ( 3.003 -4.711 -11.709) 12.974 2.198 ( -4.766 -0.364 -3.383) 5.855 2.236 ( 2.322 -0.921 7.433) 7.842 2.450 ( -7.541 7.943 2.533) 11.241 2.525 ( 2.165 1.184 14.725) 14.930 2.670 ( -2.635 -2.644 -4.365) 5.744 2.709 ( 2.146 0.174 -1.574) 2.667 2.817 ( -1.540 -1.085 -0.084) 1.885 2.894 ( 2.696 -4.280 -2.350) 5.577 2.940 ( -3.411 2.008 7.673) 8.634 3.127 ( 2.345 -0.110 -9.030) 9.330 3.247 ( -6.930 6.179 8.996) 12.928 3.403 ( 0.166 0.744 -1.334) 1.536 3.501 ( 0.010 2.066 -0.686) 2.177 3.557 ( 1.152 -1.207 -1.084) 1.990 3.587 ( -1.726 -1.696 -1.484) 2.838 3.652 ( 0.850 -4.045 -0.942) 4.239 3.682 ( -1.796 -5.272 3.271) 6.459 3.810 ( 1.016 -1.874 -5.072) 5.502 3.912 ( -2.629 -3.854 3.159) 5.634 4.116 ( 9.580 0.172 -4.559) 10.611 4.316 ( -2.761 -1.586 12.814) 13.204 4.416 ( -3.602 -2.118 -3.541) 5.477 4.507 ( 4.102 4.164 0.939) 5.920 4.580 ( -0.132 0.649 -0.838) 1.068 4.589 ( -0.163 -0.076 4.378) 4.382 4.770 ( 3.060 1.250 -1.465) 3.616 4.879 ( 0.359 6.039 2.788) 6.661 4.932 ( 1.081 3.562 -5.403) 6.562 5.024 ( 1.098 -1.933 4.015) 4.590 5.042 ( -1.960 -3.811 -5.102) 6.663 5.222 ( -2.243 0.078 -0.393) 2.279 5.276 ( 2.793 -0.430 -1.284) 3.104 5.422 ( -1.728 -0.844 3.839) 4.294 5.470 ( -1.254 -0.756 0.447) 1.531 5.630 ( 1.080 0.081 -3.522) 3.685 5.655 ( 1.629 2.293 -2.803) 3.971 5.723 ( 0.324 0.657 2.507) 2.612 5.732 ( -0.642 0.626 -0.014) 0.897 5.933 ( -6.057 3.662 5.371) 8.886 6.072 ( 1.396 -2.568 -0.404) 2.951 6.143 ( -4.807 0.559 -3.582) 6.021 6.339 ( 3.202 7.874 -2.053) 8.745 6.392 ( 0.992 7.273 -1.919) 7.587 6.523 ( 10.090 1.387 -3.787) 10.866 6.952 ( -2.244 0.032 2.771) 3.566 6.987 ( -2.182 -2.098 -0.935) 3.168 7.252 ( -1.626 3.674 1.841) 4.420 7.310 ( 1.640 1.570 -1.248) 2.590 7.586 ( -3.136 -11.190 0.145) 11.622 7.609 ( -6.378 -5.994 1.634) 8.904 7.725 ( 3.290 -7.144 0.616) 7.889 7.879 ( 4.751 -3.687 -4.337) 7.414 8.184 ( 1.454 1.381 5.721) 6.063 8.238 ( 0.902 2.030 -6.591) 6.956 10.093 ( -0.301 0.816 2.451) 2.600 10.105 ( -1.266 0.420 -2.093) 2.482 10.291 ( 0.039 1.468 3.239) 3.556 10.335 ( 0.373 3.216 -0.572) 3.288 10.372 ( 0.714 0.808 -0.245) 1.106 10.391 ( 0.716 -0.059 -4.076) 4.139 10.689 ( -0.487 -0.076 0.730) 0.881 10.700 ( -0.237 -0.245 -0.746) 0.821 11.026 ( -1.776 -0.509 -2.138) 2.826 11.047 ( 1.798 -0.662 2.611) 3.238 11.227 ( -1.311 0.145 2.876) 3.164 11.286 ( 1.062 -2.019 -3.134) 3.876 11.971 ( 0.367 -2.192 0.070) 2.223 11.978 ( 0.430 -2.469 -0.725) 2.609 12.182 ( -0.448 2.198 0.667) 2.340 12.188 ( -0.179 1.905 0.424) 1.960 12.407 ( -0.169 -0.209 -0.639) 0.693 12.412 ( -0.031 -0.418 -1.091) 1.168 12.469 ( -0.922 1.023 0.909) 1.650 12.498 ( 0.489 1.297 -0.188) 1.399 12.741 ( -2.249 -0.953 4.163) 4.827 12.856 ( 2.769 -0.584 -5.101) 5.834 12.877 ( -0.218 3.039 1.224) 3.284 12.914 ( 1.082 1.195 -2.653) 3.104 12.977 ( -0.079 -3.241 0.266) 3.253 13.012 ( 1.750 -1.514 -2.814) 3.643 13.226 ( -1.131 0.631 -0.370) 1.347 13.265 ( 1.202 0.524 -1.638) 2.098 ======================= Grid point 149 (79/97) ======================= q-point: (-0.67 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( 0.516 2.723 -2.766) 3.916 1.869 ( 3.248 -6.318 -3.463) 7.903 2.070 ( -7.411 2.979 -8.562) 11.709 2.268 ( -3.701 4.006 7.614) 9.366 2.374 ( 1.339 -0.797 7.802) 7.956 2.536 ( -1.410 0.792 3.970) 4.287 2.704 ( 1.597 -0.270 -3.971) 4.289 2.721 ( -2.486 -1.682 7.298) 7.891 2.843 ( -2.173 -3.481 2.775) 4.954 2.894 ( -0.002 4.857 4.591) 6.684 2.963 ( 3.202 -3.251 -4.798) 6.621 3.093 ( 2.751 5.717 -1.978) 6.646 3.179 ( -5.701 -2.649 5.248) 8.189 3.378 ( 0.625 -0.101 -5.027) 5.067 3.492 ( -0.189 -0.254 1.221) 1.261 3.538 ( -2.080 0.957 -2.096) 3.104 3.596 ( -1.833 -3.581 -2.653) 4.819 3.694 ( 3.359 1.146 0.615) 3.602 3.778 ( 0.050 -4.088 1.101) 4.234 3.827 ( -2.714 -8.671 -2.179) 9.343 3.955 ( -0.356 -3.907 2.798) 4.819 4.187 ( 1.526 4.201 -5.113) 6.791 4.242 ( 2.596 6.389 -1.863) 7.143 4.418 ( -4.576 -2.093 1.158) 5.164 4.540 ( 4.787 1.595 4.307) 6.634 4.594 ( 1.758 -2.792 2.086) 3.904 4.622 ( -0.929 1.886 8.025) 8.295 4.756 ( 1.372 0.357 -4.290) 4.519 4.838 ( -0.044 4.413 5.747) 7.246 4.863 ( 1.950 4.886 -4.007) 6.613 5.038 ( -2.868 -3.250 -3.495) 5.567 5.092 ( 0.912 -1.103 5.663) 5.841 5.162 ( -2.818 2.233 -3.519) 5.031 5.326 ( 3.850 -1.573 0.718) 4.220 5.441 ( -1.598 0.688 3.308) 3.738 5.476 ( -0.866 -3.784 3.668) 5.341 5.638 ( 2.195 0.217 -2.039) 3.004 5.660 ( -0.881 -4.136 -0.448) 4.253 5.725 ( 1.585 0.610 -1.414) 2.210 5.774 ( 3.825 -4.243 0.113) 5.714 5.874 ( -2.498 -1.222 1.650) 3.234 6.046 ( -2.510 3.239 -3.763) 5.564 6.098 ( -0.817 3.108 1.259) 3.451 6.187 ( -1.209 10.240 -3.647) 10.937 6.248 ( 0.314 10.586 -4.346) 11.448 6.663 ( 11.579 -1.882 -1.937) 11.889 6.887 ( -7.690 1.379 2.014) 8.068 7.010 ( -0.487 -2.451 0.744) 2.608 7.212 ( -1.040 0.540 -0.043) 1.173 7.274 ( 1.213 4.223 -2.221) 4.923 7.589 ( -3.128 -3.005 -0.186) 4.341 7.774 ( -3.403 -16.653 2.697) 17.210 7.841 ( 2.451 -2.833 -0.306) 3.759 7.999 ( 2.782 -9.579 -2.916) 10.392 8.175 ( 2.454 5.544 -5.431) 8.140 8.187 ( 0.359 4.407 4.451) 6.274 10.074 ( -0.913 0.846 -0.814) 1.487 10.090 ( -0.688 0.060 1.384) 1.547 10.278 ( 0.415 2.184 1.275) 2.563 10.292 ( 0.382 2.979 -0.636) 3.070 10.354 ( -0.538 1.055 -2.234) 2.529 10.391 ( 1.155 -0.198 -0.334) 1.219 10.679 ( -0.785 0.133 -0.613) 1.005 10.701 ( -0.157 -0.353 0.315) 0.498 11.017 ( -0.270 -0.924 -0.748) 1.219 11.083 ( 0.850 -0.243 1.847) 2.047 11.229 ( -1.477 0.009 4.369) 4.612 11.318 ( 1.730 -2.850 -4.300) 5.442 12.014 ( 0.336 -3.481 -0.022) 3.497 12.024 ( 0.360 -3.604 -0.118) 3.623 12.144 ( -0.289 3.022 0.484) 3.074 12.153 ( -0.044 3.336 0.275) 3.348 12.403 ( -0.482 -0.194 -0.431) 0.675 12.413 ( -0.273 -0.747 -0.440) 0.909 12.453 ( -0.178 0.713 0.276) 0.785 12.477 ( 0.311 1.977 -0.602) 2.090 12.757 ( -1.736 -1.703 3.692) 4.421 12.839 ( -1.058 2.696 2.047) 3.547 12.871 ( 2.267 -1.048 -4.690) 5.313 12.898 ( 1.665 1.349 -3.197) 3.849 13.016 ( 0.332 -1.965 -0.404) 2.034 13.038 ( 1.568 -1.382 -2.536) 3.286 13.202 ( -0.706 0.700 -0.513) 1.119 13.260 ( 0.701 0.561 -1.331) 1.606 ======================= Grid point 150 (80/97) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 2.571 6.190 1.281) 6.824 1.810 ( -9.455 12.980 9.443) 18.630 1.976 ( 2.164 -2.560 -4.047) 5.255 2.283 ( 0.078 -4.241 -1.257) 4.424 2.417 ( -2.560 -2.741 4.715) 6.025 2.566 ( 0.012 -0.973 -0.943) 1.355 2.658 ( -2.190 2.564 5.204) 6.201 2.755 ( -1.380 -1.380 4.207) 4.637 2.830 ( 1.955 0.198 -0.481) 2.023 2.943 ( 1.258 -2.062 4.468) 5.079 3.003 ( 2.400 -3.370 -8.543) 9.492 3.052 ( 0.095 1.482 -1.927) 2.433 3.186 ( -2.634 -0.525 6.403) 6.943 3.382 ( 1.300 -1.931 -5.357) 5.841 3.482 ( -0.805 -0.476 -3.427) 3.553 3.514 ( 0.003 0.132 1.693) 1.698 3.590 ( 0.618 1.327 -2.031) 2.503 3.724 ( 0.048 -1.646 -0.300) 1.674 3.766 ( 0.723 1.350 -1.578) 2.199 3.920 ( -0.339 3.795 -0.663) 3.867 4.001 ( -2.743 -5.280 5.435) 8.059 4.106 ( 1.225 0.605 -0.514) 1.460 4.211 ( 1.725 1.027 -1.551) 2.537 4.367 ( -1.289 2.937 -3.469) 4.725 4.523 ( -1.559 10.550 11.534) 15.709 4.565 ( -6.580 2.261 8.213) 10.764 4.692 ( -1.156 -1.200 2.977) 3.412 4.810 ( 6.592 -5.023 -3.341) 8.936 4.824 ( 0.642 1.754 0.694) 1.992 4.849 ( 0.818 -4.944 -1.200) 5.153 5.028 ( -0.490 -0.652 -2.644) 2.767 5.049 ( -4.180 1.111 -4.459) 6.212 5.158 ( 0.392 -3.402 0.479) 3.458 5.395 ( 2.276 -1.629 0.966) 2.961 5.430 ( -1.838 -0.198 2.236) 2.901 5.567 ( 2.054 -5.136 1.923) 5.856 5.659 ( -2.365 0.853 -0.031) 2.514 5.669 ( 2.424 -0.480 -0.861) 2.617 5.769 ( 1.972 -3.374 -1.074) 4.053 5.866 ( -0.764 3.113 0.977) 3.351 5.920 ( -1.763 2.704 -0.009) 3.228 5.958 ( 4.427 -6.525 -3.833) 8.767 5.977 ( 0.986 5.326 -3.380) 6.384 6.097 ( 1.374 2.942 -1.669) 3.651 6.143 ( 0.871 0.660 -4.245) 4.384 6.728 ( -11.771 0.114 5.720) 13.087 6.827 ( 6.409 0.508 -1.417) 6.583 7.036 ( -0.864 -1.478 1.912) 2.566 7.190 ( 1.288 1.646 -4.153) 4.649 7.251 ( 1.461 -0.329 -0.224) 1.514 7.599 ( 1.978 -0.054 -2.014) 2.824 7.861 ( -0.284 0.293 -0.199) 0.453 7.948 ( -2.242 -9.310 2.486) 9.894 8.044 ( 1.401 6.928 -1.186) 7.167 8.080 ( -0.352 9.625 1.722) 9.784 8.201 ( 0.906 -7.627 -3.069) 8.271 10.054 ( -0.250 0.891 0.233) 0.955 10.096 ( -0.141 -1.061 0.474) 1.171 10.264 ( -0.270 0.726 0.081) 0.778 10.273 ( 0.196 -0.419 -0.000) 0.463 10.327 ( -0.251 0.104 -1.788) 1.809 10.406 ( 0.976 0.092 0.239) 1.010 10.667 ( -0.275 0.281 -0.371) 0.540 10.705 ( 0.032 0.049 0.389) 0.393 11.021 ( -0.310 0.156 0.174) 0.388 11.101 ( 0.735 -0.576 0.093) 0.938 11.233 ( -1.455 0.658 4.769) 5.030 11.348 ( 1.652 -2.337 -5.873) 6.533 12.051 ( 0.012 0.123 0.351) 0.372 12.056 ( -0.595 0.437 0.797) 1.086 12.118 ( 0.033 -0.589 -0.312) 0.667 12.121 ( 0.354 -0.291 -0.380) 0.595 12.399 ( 0.293 0.012 -0.428) 0.518 12.419 ( -0.168 -0.270 0.084) 0.329 12.449 ( -0.018 0.036 -0.263) 0.267 12.457 ( 0.500 0.470 -0.569) 0.891 12.783 ( -1.060 -1.957 2.783) 3.564 12.805 ( -1.600 2.041 2.915) 3.902 12.881 ( 1.914 1.064 -3.423) 4.064 12.890 ( 1.648 -1.302 -4.430) 4.902 13.029 ( 0.655 0.311 -0.860) 1.125 13.048 ( 0.359 0.231 -1.630) 1.685 13.195 ( 0.884 -0.422 -1.197) 1.547 13.255 ( 0.227 0.075 -0.997) 1.025 ======================= Grid point 151 (81/97) ======================= q-point: (-0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( -0.078 12.745 7.190) 14.633 1.675 ( 0.982 6.334 16.124) 17.351 2.006 ( 1.035 -1.124 -2.414) 2.856 2.283 ( -2.090 4.646 8.292) 9.732 2.456 ( -3.466 -2.711 1.120) 4.541 2.552 ( 2.853 -3.544 -4.419) 6.342 2.669 ( -4.001 -3.993 -0.382) 5.665 2.779 ( -1.051 -0.232 6.120) 6.214 2.873 ( 1.424 0.181 -1.559) 2.120 2.949 ( 2.528 1.747 -7.962) 8.534 3.051 ( -4.055 -5.835 1.002) 7.176 3.058 ( 1.296 -5.501 -1.379) 5.818 3.191 ( 1.697 1.941 2.557) 3.631 3.382 ( 0.654 -0.267 -4.161) 4.220 3.497 ( 2.496 -0.552 0.851) 2.694 3.518 ( -0.339 -0.580 -0.635) 0.924 3.574 ( 2.692 2.003 -1.153) 3.548 3.701 ( -2.569 5.668 1.280) 6.353 3.718 ( -1.111 0.533 -1.615) 2.031 3.861 ( 3.581 8.519 0.629) 9.262 4.021 ( 3.020 1.217 -0.693) 3.328 4.104 ( -4.914 -1.347 3.089) 5.959 4.211 ( -1.596 1.444 -3.340) 3.974 4.362 ( 1.807 -0.100 6.973) 7.204 4.457 ( -4.472 1.170 11.532) 12.424 4.498 ( -1.842 2.871 3.900) 5.181 4.655 ( -4.960 1.728 5.246) 7.423 4.812 ( -1.951 0.451 1.873) 2.742 4.876 ( -0.706 -3.041 -8.593) 9.142 4.938 ( -0.386 -7.570 -3.815) 8.486 5.019 ( 1.164 -0.529 -1.312) 1.832 5.064 ( 2.430 -4.243 2.639) 5.556 5.217 ( 0.469 -5.173 -4.153) 6.650 5.370 ( -2.566 2.314 -2.215) 4.104 5.470 ( 2.185 -1.511 -0.420) 2.689 5.572 ( -1.905 2.210 -4.099) 5.031 5.634 ( -3.031 4.248 1.125) 5.338 5.664 ( 1.884 4.552 -4.550) 6.706 5.706 ( 0.747 -0.472 -1.072) 1.390 5.820 ( -3.626 -1.061 -2.216) 4.380 5.940 ( 7.381 -2.264 -3.607) 8.522 5.963 ( 2.870 0.390 3.447) 4.502 6.082 ( 0.203 -0.933 2.261) 2.455 6.184 ( 6.795 -9.102 -3.853) 11.994 6.212 ( 2.531 -10.263 -1.138) 10.631 6.570 ( -15.907 0.909 5.600) 16.889 6.892 ( 3.132 -0.059 2.480) 3.995 7.042 ( 1.445 1.251 -1.964) 2.740 7.191 ( 0.276 -2.320 0.720) 2.444 7.280 ( 1.813 -0.895 -1.780) 2.693 7.607 ( 5.600 4.743 -1.740) 7.542 7.814 ( -0.364 7.257 -0.612) 7.292 7.883 ( 2.838 9.780 -4.701) 11.216 7.919 ( -4.419 10.465 4.120) 12.084 8.068 ( -2.129 -3.986 4.593) 6.444 8.288 ( -0.390 -6.545 -4.568) 7.990 10.048 ( 0.148 0.496 1.497) 1.583 10.121 ( 0.945 -1.953 -1.159) 2.460 10.258 ( -1.462 -0.721 1.801) 2.429 10.300 ( 0.020 -3.059 -0.795) 3.161 10.332 ( 0.435 -1.606 -0.606) 1.771 10.411 ( 0.893 0.473 -1.065) 1.468 10.664 ( 0.325 0.160 0.455) 0.582 10.705 ( 0.392 0.646 0.275) 0.804 11.005 ( -0.674 1.152 0.177) 1.346 11.116 ( 0.630 -0.515 -1.005) 1.293 11.228 ( -1.262 0.960 4.067) 4.365 11.350 ( 0.738 -0.856 -6.934) 7.025 12.012 ( -0.564 3.749 0.510) 3.826 12.022 ( -0.181 3.090 -0.091) 3.096 12.151 ( -0.165 -3.137 -0.137) 3.144 12.156 ( 0.030 -3.400 -0.152) 3.404 12.406 ( 1.051 -0.107 -0.679) 1.256 12.414 ( 0.742 1.020 -0.737) 1.461 12.453 ( -0.338 -1.301 0.259) 1.369 12.470 ( 0.362 -1.038 0.147) 1.109 12.776 ( -1.983 1.525 3.637) 4.414 12.814 ( -0.038 -1.830 1.010) 2.091 12.870 ( 1.528 0.652 -3.223) 3.626 12.908 ( 1.194 -1.909 -3.730) 4.357 13.012 ( 0.174 2.511 -0.102) 2.519 13.030 ( 0.385 1.408 -1.764) 2.290 13.216 ( 2.026 -1.057 -1.847) 2.938 13.253 ( -0.191 -0.466 -0.709) 0.870 ======================= Grid point 152 (82/97) ======================= q-point: (-0.17 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 2.787 7.031 13.422) 15.406 1.748 ( 6.467 2.745 10.158) 12.350 2.002 ( -0.096 0.314 -0.120) 0.349 2.275 ( 1.960 4.163 15.851) 16.505 2.434 ( -3.713 -1.113 -2.665) 4.704 2.629 ( -4.775 -6.484 1.219) 8.144 2.670 ( 0.590 -4.291 -5.498) 7.000 2.778 ( -2.395 2.203 1.804) 3.721 2.823 ( 1.879 4.842 -1.327) 5.360 2.919 ( -2.130 -1.720 -6.169) 6.749 3.020 ( -5.654 0.078 -0.445) 5.672 3.157 ( 3.989 -2.871 -9.957) 11.104 3.243 ( 0.539 -4.236 8.157) 9.208 3.392 ( 0.387 -2.898 0.551) 2.975 3.506 ( -0.809 1.636 4.108) 4.495 3.538 ( 1.815 -0.944 -3.125) 3.735 3.580 ( 1.749 1.182 -1.509) 2.595 3.654 ( 0.726 1.151 3.251) 3.524 3.663 ( -1.257 4.563 -0.317) 4.744 3.759 ( 5.937 10.251 -2.843) 12.183 4.022 ( -9.032 1.355 5.134) 10.477 4.045 ( 2.592 0.155 -7.033) 7.497 4.228 ( -0.331 -0.919 7.976) 8.036 4.367 ( 0.397 2.266 10.194) 10.451 4.459 ( 0.129 0.532 3.984) 4.021 4.551 ( 2.639 -2.143 0.471) 3.432 4.605 ( -5.697 0.532 6.054) 8.330 4.773 ( -1.762 1.438 -0.736) 2.390 4.889 ( -1.321 -5.755 -3.195) 6.714 4.989 ( 0.175 -2.751 -4.998) 5.707 5.029 ( -1.449 -3.753 -3.172) 5.123 5.142 ( -0.314 1.586 -0.132) 1.622 5.208 ( 1.849 -0.835 -6.334) 6.651 5.314 ( -1.617 1.652 -4.469) 5.031 5.438 ( -2.811 1.585 2.768) 4.252 5.508 ( -0.651 3.199 -3.391) 4.707 5.603 ( 2.134 -0.672 -1.560) 2.727 5.633 ( 2.117 -0.641 -1.234) 2.533 5.738 ( -2.153 -3.801 -1.024) 4.487 5.796 ( -1.743 -2.161 -3.420) 4.405 5.982 ( -0.821 1.847 5.264) 5.639 6.045 ( 2.842 -1.774 -2.333) 4.083 6.131 ( 9.448 -0.938 -2.161) 9.737 6.305 ( -3.135 -4.597 0.722) 5.611 6.399 ( 5.172 -8.385 -2.298) 10.116 6.437 ( -8.371 -2.501 3.593) 9.447 6.936 ( 0.290 -1.143 3.205) 3.415 7.022 ( 1.256 1.975 -3.083) 3.871 7.252 ( -0.207 -4.767 2.385) 5.334 7.288 ( 0.375 0.628 0.193) 0.756 7.568 ( 4.317 8.982 1.045) 10.020 7.650 ( 0.976 13.938 -1.141) 14.019 7.792 ( -5.590 1.808 1.887) 6.171 7.810 ( 3.371 3.314 -5.710) 7.413 8.104 ( -0.788 -0.582 5.945) 6.025 8.312 ( -0.850 -2.611 -5.958) 6.561 10.062 ( 0.517 -0.312 2.188) 2.270 10.143 ( 0.499 -1.111 -2.385) 2.678 10.269 ( -1.519 -1.003 3.862) 4.270 10.336 ( 0.083 -2.844 -0.662) 2.921 10.361 ( 0.447 -1.702 -0.651) 1.877 10.405 ( 1.095 0.516 -2.601) 2.869 10.675 ( 0.513 -0.333 0.970) 1.147 10.701 ( 0.629 0.890 0.162) 1.103 10.987 ( 0.281 1.104 0.770) 1.375 11.110 ( -0.995 -0.053 -2.133) 2.354 11.225 ( -0.827 0.378 2.871) 3.012 11.318 ( -0.133 0.468 -6.282) 6.301 11.966 ( -0.266 2.419 0.368) 2.461 11.982 ( -0.003 2.115 -0.821) 2.268 12.184 ( -0.275 -2.000 0.283) 2.038 12.193 ( -0.313 -2.081 0.177) 2.112 12.407 ( 0.866 0.558 -1.079) 1.492 12.414 ( 0.880 -0.008 -1.093) 1.403 12.474 ( -0.215 -1.488 1.020) 1.817 12.487 ( 0.234 -0.677 0.279) 0.769 12.754 ( -2.459 0.844 4.142) 4.890 12.836 ( 2.287 -0.230 -3.259) 3.988 12.874 ( 0.194 -1.526 -0.438) 1.600 12.926 ( 0.552 -1.693 -2.937) 3.435 12.976 ( -0.264 2.620 0.805) 2.754 13.004 ( 1.276 2.075 -2.519) 3.504 13.243 ( 2.049 -0.700 -1.955) 2.917 13.253 ( -0.520 -0.485 -0.555) 0.902 ======================= Grid point 154 (83/97) ======================= q-point: ( 0.17 0.17 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 5.427 0.000 -18.118) 18.913 1.733 ( 1.130 0.000 7.232) 7.320 2.053 ( -5.143 -0.000 -12.625) 13.632 2.337 ( 1.856 0.000 8.223) 8.430 2.434 ( -3.977 -0.000 -0.210) 3.982 2.623 ( -2.803 -0.000 12.257) 12.574 2.660 ( 0.314 0.000 -3.019) 3.035 2.680 ( -0.817 -0.000 8.899) 8.936 2.792 ( -1.734 -0.000 -2.072) 2.702 2.884 ( 2.699 0.000 -0.010) 2.699 2.968 ( -2.059 -0.000 7.368) 7.650 3.087 ( -0.271 -0.000 -3.322) 3.333 3.292 ( -7.280 -0.000 10.866) 13.080 3.379 ( -0.194 -0.000 -2.381) 2.389 3.489 ( -2.482 -0.000 1.646) 2.978 3.526 ( 0.710 0.000 -5.815) 5.858 3.575 ( -3.334 -0.000 -0.961) 3.469 3.612 ( -0.873 -0.000 -0.091) 0.877 3.636 ( 0.608 0.000 -0.469) 0.767 3.792 ( 3.109 0.000 -8.755) 9.291 3.894 ( 0.320 0.000 6.466) 6.474 4.227 ( 11.485 0.000 -3.250) 11.936 4.335 ( -3.478 -0.000 -5.933) 6.878 4.351 ( -2.422 -0.000 13.234) 13.454 4.512 ( -0.157 -0.000 -10.071) 10.072 4.541 ( -0.869 -0.000 -7.907) 7.954 4.645 ( 0.245 0.000 14.132) 14.134 4.807 ( 1.159 0.000 -3.732) 3.908 4.911 ( -1.520 -0.000 -1.365) 2.043 4.997 ( 3.691 0.000 1.582) 4.016 5.034 ( 2.579 0.000 4.720) 5.378 5.050 ( 5.621 0.000 3.330) 6.533 5.175 ( -3.225 -0.000 -0.790) 3.321 5.307 ( 2.774 0.000 -1.288) 3.059 5.409 ( -1.301 -0.000 2.600) 2.908 5.470 ( 0.511 0.000 0.886) 1.023 5.636 ( 0.890 0.000 -3.792) 3.895 5.639 ( -0.348 -0.000 -3.012) 3.032 5.748 ( -0.047 -0.000 4.430) 4.430 5.750 ( 0.408 0.000 2.180) 2.218 6.000 ( -0.748 -0.000 2.849) 2.946 6.008 ( -1.290 -0.000 2.570) 2.875 6.081 ( -1.079 -0.000 -7.632) 7.708 6.397 ( -3.287 -0.000 -1.390) 3.569 6.453 ( 3.455 0.000 -5.094) 6.155 6.618 ( 7.578 0.000 -2.239) 7.902 6.917 ( -7.155 -0.000 1.470) 7.305 6.929 ( -2.304 -0.000 3.238) 3.975 7.292 ( -0.821 -0.000 1.164) 1.424 7.326 ( 0.985 0.000 -1.008) 1.409 7.452 ( -3.587 -0.000 0.427) 3.612 7.499 ( -4.437 -0.000 -2.311) 5.003 7.723 ( 5.282 0.000 -0.339) 5.293 7.887 ( 2.719 0.000 -1.611) 3.161 8.235 ( 2.899 0.000 -7.027) 7.602 8.240 ( 0.654 0.000 6.213) 6.247 10.081 ( -1.220 -0.000 -1.638) 2.042 10.105 ( -0.908 -0.000 2.102) 2.290 10.324 ( 0.745 0.000 3.067) 3.156 10.365 ( -0.465 -0.000 1.169) 1.258 10.370 ( 0.670 0.000 -5.205) 5.248 10.382 ( 0.969 0.000 -1.329) 1.644 10.682 ( -0.924 -0.000 0.170) 0.940 10.687 ( -0.723 -0.000 -0.880) 1.139 10.995 ( -0.153 -0.000 -1.632) 1.640 11.080 ( 0.714 0.000 3.142) 3.222 11.236 ( -0.515 -0.000 3.723) 3.758 11.266 ( 0.773 0.000 -2.210) 2.341 11.961 ( 0.488 0.000 -0.711) 0.862 11.965 ( 0.925 0.000 0.015) 0.925 12.197 ( -0.436 -0.000 0.694) 0.820 12.201 ( -0.164 -0.000 1.034) 1.047 12.397 ( -0.728 -0.000 -0.869) 1.133 12.402 ( -0.167 -0.000 -0.806) 0.823 12.468 ( -0.908 -0.000 0.400) 0.992 12.509 ( -0.030 -0.000 -0.156) 0.159 12.733 ( -1.871 -0.000 4.241) 4.635 12.856 ( 2.512 0.000 -5.166) 5.745 12.916 ( 0.499 0.000 -1.644) 1.718 12.931 ( 1.085 0.000 0.675) 1.277 12.933 ( -0.725 -0.000 0.233) 0.762 13.007 ( 2.016 0.000 -3.426) 3.975 13.215 ( -0.947 -0.000 -0.458) 1.052 13.270 ( 0.535 0.000 -1.403) 1.501 ======================= Grid point 155 (84/97) ======================= q-point: ( 0.33 0.17 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 8.227 -0.574 -15.118) 17.221 1.795 ( -1.284 -5.274 1.777) 5.711 1.969 ( 0.277 -1.570 -11.313) 11.424 2.353 ( -0.746 5.171 3.966) 6.560 2.401 ( -1.904 -0.442 5.088) 5.451 2.565 ( -0.800 6.460 1.381) 6.655 2.652 ( -9.088 -4.645 12.459) 16.106 2.739 ( -0.964 1.362 1.236) 2.076 2.782 ( -0.710 -2.535 1.886) 3.238 2.913 ( 1.679 -1.277 -3.829) 4.372 2.979 ( -1.329 0.470 5.190) 5.379 3.114 ( 1.844 -2.736 1.905) 3.810 3.213 ( -3.400 6.028 9.244) 11.547 3.372 ( 0.869 1.015 -5.162) 5.332 3.480 ( -1.500 0.918 0.843) 1.950 3.500 ( -1.908 -3.840 -2.197) 4.818 3.539 ( -2.310 2.938 0.619) 3.788 3.605 ( -3.513 -9.745 -0.964) 10.404 3.714 ( 1.530 -7.412 -3.011) 8.145 3.788 ( 3.550 0.474 -5.265) 6.368 3.944 ( 1.096 1.456 6.652) 6.897 4.232 ( -2.954 3.806 -5.348) 7.198 4.314 ( 5.974 2.167 -3.982) 7.499 4.377 ( -1.163 0.283 3.245) 3.458 4.504 ( -0.254 -6.973 -6.381) 9.456 4.516 ( -2.197 -4.551 -4.410) 6.707 4.719 ( 2.596 3.299 13.030) 13.689 4.778 ( -1.582 -0.268 -4.195) 4.492 4.876 ( -1.651 1.691 0.751) 2.480 4.999 ( 2.646 7.420 3.397) 8.579 5.048 ( 3.647 4.830 2.573) 6.577 5.134 ( -1.529 0.183 0.163) 1.549 5.163 ( 3.189 0.956 4.390) 5.510 5.344 ( 2.128 -2.314 0.839) 3.254 5.434 ( -1.346 -2.229 3.938) 4.721 5.478 ( 2.729 1.254 0.756) 3.097 5.619 ( 1.467 -0.590 -3.008) 3.398 5.648 ( 2.780 -0.712 -4.418) 5.268 5.749 ( -0.391 1.245 3.038) 3.306 5.785 ( 2.594 -1.336 1.813) 3.435 5.914 ( 0.811 5.907 2.759) 6.570 6.024 ( -0.550 0.941 -6.994) 7.079 6.097 ( 1.166 -3.069 -0.459) 3.315 6.271 ( -4.083 8.878 -3.005) 10.224 6.373 ( 0.251 9.831 -5.138) 11.096 6.679 ( -5.299 -2.774 4.270) 7.349 6.844 ( -0.703 0.514 -1.265) 1.536 6.959 ( -1.494 -4.188 1.793) 4.794 7.222 ( -1.389 4.208 -0.552) 4.466 7.325 ( 0.616 2.802 -1.933) 3.459 7.499 ( -0.652 -6.410 -2.350) 6.858 7.529 ( -3.101 -14.683 2.147) 15.160 7.821 ( 4.338 -4.239 -1.120) 6.168 7.923 ( 1.378 -3.411 -1.108) 3.842 8.233 ( 4.606 1.930 -6.344) 8.074 8.257 ( -1.151 2.195 6.094) 6.579 10.063 ( -0.376 -0.025 -1.193) 1.251 10.094 ( -1.346 0.842 1.561) 2.226 10.326 ( 0.823 2.306 0.086) 2.450 10.335 ( 0.071 2.800 -0.381) 2.826 10.353 ( -0.672 1.430 -0.922) 1.829 10.394 ( 1.106 -0.795 -0.878) 1.621 10.667 ( -0.683 0.005 -0.730) 1.000 10.686 ( -0.761 -1.202 -0.070) 1.425 11.005 ( 1.168 -0.914 -0.437) 1.546 11.089 ( -1.030 -0.023 1.576) 1.883 11.249 ( -0.494 0.616 4.967) 5.029 11.284 ( 1.549 -2.001 -2.477) 3.541 11.979 ( 0.590 -2.139 -0.306) 2.240 11.992 ( 0.947 -2.055 -0.142) 2.267 12.181 ( -0.289 2.218 1.029) 2.462 12.193 ( -0.036 2.006 0.756) 2.144 12.388 ( -0.748 -0.657 -0.396) 1.072 12.397 ( -0.256 -0.477 -0.931) 1.076 12.457 ( -0.532 0.390 0.026) 0.660 12.495 ( -0.422 1.256 -0.547) 1.433 12.741 ( -1.412 -0.859 4.039) 4.364 12.859 ( 2.078 -0.199 -4.706) 5.149 12.879 ( -0.903 2.868 1.340) 3.292 12.921 ( 1.777 1.268 -2.595) 3.391 12.980 ( -0.162 -3.273 0.398) 3.301 13.023 ( 1.850 -1.444 -3.566) 4.269 13.202 ( -0.159 0.450 -0.633) 0.793 13.264 ( -0.034 0.351 -1.131) 1.185 ======================= Grid point 156 (85/97) ======================= q-point: (-0.50 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 9.184 1.419 -9.587) 13.352 1.834 ( -7.081 -3.435 5.678) 9.705 1.985 ( 8.424 -0.156 -7.679) 11.400 2.286 ( -0.444 4.748 6.320) 7.917 2.380 ( -7.442 0.526 6.688) 10.020 2.527 ( -0.196 -0.718 0.040) 0.746 2.685 ( -5.842 -3.372 7.024) 9.739 2.699 ( -3.020 -1.606 1.263) 3.646 2.820 ( -1.875 -2.592 3.348) 4.630 2.917 ( 1.199 0.078 -3.246) 3.462 2.964 ( 1.427 0.777 -4.610) 4.888 3.128 ( 0.137 4.953 0.788) 5.017 3.217 ( 1.236 0.261 10.012) 10.092 3.362 ( 2.835 -0.251 -5.202) 5.930 3.447 ( -0.851 -1.459 -0.250) 1.707 3.516 ( -0.715 0.096 0.714) 1.015 3.536 ( -0.439 -4.644 -2.641) 5.360 3.703 ( -2.752 -8.465 -0.827) 8.940 3.792 ( 1.851 -0.680 -1.306) 2.366 3.845 ( 3.791 -4.941 1.417) 6.387 3.920 ( -3.429 -0.990 -1.168) 3.755 4.168 ( -0.248 3.116 4.776) 5.708 4.289 ( -1.873 -0.913 -4.099) 4.598 4.327 ( 1.181 7.129 -3.227) 7.915 4.528 ( -3.306 -3.628 -3.496) 6.026 4.585 ( -1.701 -5.379 2.260) 6.077 4.680 ( -4.995 4.680 6.201) 9.236 4.772 ( -1.283 0.379 -3.528) 3.773 4.861 ( 2.477 1.441 1.800) 3.384 4.946 ( 4.197 7.006 2.443) 8.525 5.013 ( 0.381 3.245 -0.714) 3.344 5.102 ( 2.987 4.607 1.294) 5.641 5.174 ( 0.456 3.410 4.152) 5.392 5.399 ( -2.733 1.030 -0.135) 2.924 5.432 ( 2.028 -1.780 4.815) 5.519 5.554 ( 2.248 -3.013 3.075) 4.856 5.648 ( 0.017 -0.715 -0.082) 0.720 5.680 ( 3.267 -1.552 -2.846) 4.602 5.750 ( 1.092 -0.303 0.550) 1.260 5.878 ( 4.641 -3.465 2.499) 6.308 5.915 ( 2.365 -1.036 -3.362) 4.240 5.980 ( 3.631 0.918 -5.647) 6.776 6.058 ( -0.891 10.597 -2.996) 11.048 6.116 ( -0.942 0.834 -3.521) 3.739 6.203 ( 0.353 10.184 -4.470) 11.128 6.566 ( -17.863 -0.652 5.638) 18.743 6.900 ( 5.663 -0.830 -0.214) 5.727 7.000 ( -1.719 -3.287 2.531) 4.491 7.179 ( -0.173 -0.402 -2.274) 2.315 7.276 ( 0.447 2.509 -2.969) 3.913 7.591 ( 3.437 -5.427 -1.500) 6.597 7.727 ( -2.512 -15.467 1.250) 15.719 7.878 ( 0.593 -1.263 1.632) 2.147 8.016 ( 1.123 -8.560 -2.768) 9.066 8.208 ( 4.575 6.544 -4.839) 9.336 8.210 ( -2.567 5.740 4.708) 7.856 10.060 ( 0.474 0.009 -0.690) 0.837 10.080 ( -1.223 -0.390 1.064) 1.667 10.291 ( -0.230 3.286 0.588) 3.346 10.298 ( 0.477 2.935 -0.323) 2.991 10.323 ( -0.126 0.695 -0.760) 1.037 10.410 ( 0.692 -0.585 -1.073) 1.404 10.662 ( -0.059 -0.364 -0.243) 0.441 10.696 ( -0.427 -1.228 0.064) 1.302 11.023 ( 0.444 0.016 0.207) 0.490 11.087 ( -0.913 -1.080 0.074) 1.416 11.257 ( -1.296 0.949 5.381) 5.616 11.317 ( 2.441 -1.618 -4.119) 5.054 12.022 ( 0.226 -3.183 0.124) 3.193 12.033 ( 0.419 -2.685 -0.113) 2.720 12.147 ( -0.071 3.212 0.783) 3.307 12.157 ( 0.143 3.539 0.221) 3.549 12.394 ( 0.039 -1.048 -0.240) 1.076 12.402 ( -0.215 -1.303 -0.349) 1.366 12.448 ( -0.135 0.098 -0.445) 0.475 12.466 ( -0.514 1.445 -0.769) 1.716 12.764 ( -0.989 -1.514 3.495) 3.935 12.834 ( -1.332 2.703 2.503) 3.917 12.869 ( 1.650 -0.915 -4.357) 4.748 12.907 ( 2.079 1.730 -3.457) 4.389 13.016 ( -0.036 -2.240 -0.368) 2.271 13.040 ( 0.868 -0.854 -2.625) 2.893 13.199 ( 1.310 0.021 -1.094) 1.706 13.250 ( -0.502 0.279 -0.845) 1.022 ======================= Grid point 157 (86/97) ======================= q-point: (-0.33 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 0.833 7.149 2.557) 7.638 1.832 ( 2.804 -0.006 0.558) 2.859 2.031 ( 3.526 4.743 9.177) 10.915 2.317 ( 0.234 -3.070 2.321) 3.856 2.360 ( -3.097 -5.593 2.381) 6.822 2.499 ( -5.135 0.057 -3.618) 6.282 2.645 ( -0.084 4.135 3.712) 5.557 2.759 ( -5.112 -6.169 9.507) 12.433 2.841 ( -0.045 -3.347 -2.256) 4.036 2.917 ( -3.545 -2.306 -2.095) 4.720 2.972 ( 4.335 -1.149 -7.394) 8.648 3.049 ( 0.509 4.369 -3.181) 5.429 3.261 ( 0.376 1.722 7.196) 7.409 3.380 ( 4.066 0.181 -4.578) 6.126 3.495 ( -0.822 0.229 -0.543) 1.012 3.517 ( 3.518 -3.024 0.391) 4.656 3.586 ( 0.226 -4.114 -1.024) 4.245 3.695 ( -2.000 3.995 -1.471) 4.704 3.771 ( 1.578 1.306 -0.049) 2.049 3.954 ( -4.592 -4.810 2.594) 7.138 3.978 ( 4.649 -3.191 0.813) 5.697 4.118 ( -3.451 1.270 -1.838) 4.111 4.234 ( 5.796 7.243 -1.285) 9.365 4.331 ( -3.227 -6.131 6.849) 9.743 4.443 ( -5.649 1.988 0.602) 6.019 4.595 ( -3.291 -0.503 1.764) 3.767 4.608 ( -4.771 5.600 7.066) 10.201 4.762 ( -0.386 -4.585 -2.417) 5.198 4.860 ( 0.592 0.878 -1.920) 2.193 4.879 ( 0.181 4.402 -4.010) 5.957 5.043 ( 1.963 2.033 3.092) 4.188 5.111 ( 5.316 1.005 4.624) 7.117 5.165 ( 0.648 -0.586 -1.246) 1.521 5.348 ( -2.671 0.915 -2.580) 3.825 5.478 ( 0.619 0.202 1.613) 1.739 5.566 ( -1.074 3.661 -3.795) 5.381 5.627 ( -2.399 -0.181 4.497) 5.101 5.714 ( 2.834 0.871 -4.449) 5.346 5.776 ( -0.273 0.860 -0.699) 1.141 5.795 ( -1.175 10.608 -2.317) 10.922 5.949 ( 1.720 -3.607 1.513) 4.274 6.032 ( 1.983 0.048 1.553) 2.519 6.080 ( 0.080 -2.428 -1.258) 2.736 6.106 ( 3.176 -6.334 -4.418) 8.350 6.161 ( 12.887 -2.917 -7.020) 14.962 6.391 ( -16.975 -1.373 4.320) 17.570 6.939 ( 0.427 1.329 3.996) 4.233 7.039 ( -0.325 -2.101 0.280) 2.145 7.183 ( 1.283 -0.476 -1.845) 2.297 7.261 ( 0.646 -1.903 -2.947) 3.567 7.686 ( 4.929 -1.700 -1.145) 5.338 7.796 ( -3.437 -1.206 -0.952) 3.765 7.967 ( 0.225 -6.090 4.400) 7.517 8.055 ( -2.829 7.910 2.974) 8.912 8.104 ( 4.333 10.266 -3.610) 11.713 8.159 ( -1.193 -5.417 -3.361) 6.485 10.065 ( 0.553 0.277 0.617) 0.873 10.091 ( -0.560 -2.207 0.197) 2.285 10.259 ( -0.313 1.557 0.519) 1.670 10.272 ( -0.025 0.038 -0.391) 0.394 10.326 ( 0.633 -0.416 0.599) 0.966 10.412 ( 0.378 -0.172 -2.381) 2.417 10.670 ( 0.319 -0.298 0.757) 0.874 10.706 ( -0.086 -0.713 -0.230) 0.753 11.020 ( 0.041 0.939 0.920) 1.315 11.092 ( -0.898 -1.327 -1.638) 2.292 11.249 ( -1.927 1.262 4.708) 5.241 11.333 ( 2.622 0.237 -5.102) 5.742 12.048 ( -0.672 0.674 1.027) 1.400 12.056 ( 0.139 0.774 -0.023) 0.787 12.119 ( 0.119 -0.102 -0.085) 0.179 12.125 ( 0.325 0.080 -0.519) 0.617 12.410 ( 0.695 -0.569 -0.136) 0.908 12.423 ( 0.102 -1.795 0.397) 1.841 12.436 ( -0.133 1.071 -0.924) 1.421 12.454 ( -0.257 -1.125 -0.645) 1.322 12.794 ( -0.832 -1.487 2.702) 3.194 12.798 ( -1.614 1.814 3.444) 4.214 12.879 ( 1.448 -1.069 -4.095) 4.473 12.889 ( 2.127 1.382 -4.124) 4.841 13.032 ( -0.118 -0.366 -0.943) 1.019 13.037 ( 0.891 0.731 -1.525) 1.911 13.219 ( 2.079 -0.754 -1.609) 2.735 13.238 ( -0.848 -0.273 -0.594) 1.071 ======================= Grid point 158 (87/97) ======================= q-point: (-0.17 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 0.816 5.943 8.972) 10.793 1.844 ( 3.466 2.448 -9.044) 9.990 2.089 ( 4.435 2.779 16.961) 17.750 2.354 ( -3.922 0.577 -1.314) 4.176 2.401 ( -7.332 -6.740 1.043) 10.013 2.436 ( -0.326 -2.507 4.451) 5.119 2.648 ( 2.745 -0.309 1.895) 3.350 2.795 ( -2.042 3.299 -0.980) 4.001 2.837 ( -2.901 -1.384 0.315) 3.230 2.893 ( -1.719 -1.185 2.286) 3.095 2.964 ( -0.144 1.347 -3.614) 3.860 3.069 ( 3.053 -6.935 -7.183) 10.441 3.261 ( -2.452 1.635 4.621) 5.480 3.389 ( 2.770 0.828 -3.012) 4.175 3.477 ( -1.271 -1.151 0.943) 1.957 3.563 ( 2.517 1.420 -3.780) 4.758 3.619 ( -0.132 0.131 1.124) 1.139 3.658 ( 1.641 -0.119 -1.556) 2.264 3.769 ( 1.359 5.563 5.556) 7.979 3.878 ( -5.228 3.729 -1.148) 6.523 4.014 ( -0.744 6.854 -1.290) 7.014 4.051 ( 4.531 0.105 -4.350) 6.282 4.293 ( 4.416 0.530 7.658) 8.856 4.367 ( -4.166 -8.392 2.400) 9.671 4.488 ( -0.530 -1.972 2.700) 3.385 4.532 ( -3.433 3.201 13.270) 14.076 4.572 ( -0.038 -2.420 -3.350) 4.132 4.784 ( 0.986 3.450 -6.048) 7.033 4.809 ( -1.328 -3.224 2.873) 4.518 4.894 ( -0.181 -4.911 -3.782) 6.201 5.025 ( -0.390 2.352 3.596) 4.315 5.153 ( -0.414 2.624 -6.306) 6.843 5.189 ( 1.544 -1.570 3.186) 3.873 5.298 ( 0.441 0.089 -5.875) 5.892 5.448 ( -3.613 2.310 3.589) 5.592 5.503 ( -1.445 1.146 -1.306) 2.260 5.612 ( 0.698 -0.297 0.141) 0.772 5.671 ( 2.879 5.664 -5.508) 8.409 5.713 ( 0.989 1.939 -0.083) 2.178 5.735 ( -1.540 -0.734 -1.522) 2.287 5.988 ( -7.057 1.792 4.893) 8.772 6.045 ( 3.047 -2.651 0.266) 4.047 6.164 ( -0.256 -8.065 0.723) 8.101 6.214 ( 1.501 -4.833 -3.996) 6.448 6.296 ( -6.002 -7.021 0.905) 9.281 6.366 ( 13.770 -4.814 -5.567) 15.613 6.946 ( -1.070 0.019 4.411) 4.539 7.032 ( -0.187 1.082 -2.848) 3.053 7.212 ( -0.458 -2.308 2.911) 3.743 7.286 ( 1.036 -2.068 -3.463) 4.165 7.706 ( -4.339 1.585 1.802) 4.959 7.750 ( 3.466 5.628 -1.777) 6.844 7.847 ( -4.751 13.846 3.690) 15.097 7.945 ( 5.171 11.495 -4.825) 13.497 8.110 ( 1.266 -3.322 4.380) 5.641 8.217 ( -0.613 -5.910 -5.203) 7.898 10.074 ( 0.092 -0.173 2.072) 2.081 10.113 ( -0.454 -1.741 -1.567) 2.386 10.257 ( -0.445 -1.112 2.276) 2.572 10.292 ( 0.269 -2.912 -0.984) 3.086 10.349 ( 0.689 -0.957 0.973) 1.528 10.402 ( 0.549 -0.135 -3.610) 3.654 10.683 ( 0.234 -0.167 1.337) 1.367 10.708 ( -0.072 -0.055 -0.742) 0.748 11.020 ( 0.977 0.912 2.056) 2.452 11.074 ( -1.700 -0.118 -2.858) 3.327 11.233 ( -1.910 0.777 3.623) 4.169 11.318 ( 1.966 1.972 -4.639) 5.410 12.009 ( -0.195 3.645 0.566) 3.693 12.020 ( 0.300 3.644 -0.549) 3.697 12.147 ( -0.262 -3.065 0.243) 3.085 12.154 ( -0.082 -3.085 -0.128) 3.089 12.416 ( 0.252 0.518 -0.500) 0.763 12.420 ( 0.203 0.369 -0.928) 1.019 12.452 ( -0.318 -1.821 1.119) 2.161 12.472 ( 0.341 -1.868 -0.620) 1.998 12.765 ( -2.270 1.738 3.901) 4.836 12.831 ( 0.090 -2.224 1.593) 2.737 12.869 ( 1.955 1.012 -4.487) 4.998 12.898 ( 1.232 -1.503 -3.296) 3.827 13.012 ( 0.201 2.176 -0.319) 2.208 13.029 ( 1.174 1.317 -2.066) 2.717 13.231 ( -1.051 -0.784 -0.372) 1.363 13.246 ( 1.814 -0.896 -1.786) 2.699 ======================= Grid point 161 (88/97) ======================= q-point: ( 0.33 0.33 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 97 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 12.789 0.000 -20.278) 23.974 1.720 ( -9.230 -0.000 7.870) 12.130 1.946 ( 8.642 0.000 -11.848) 14.665 2.365 ( -7.800 -0.000 3.008) 8.360 2.437 ( 9.582 0.000 -4.291) 10.499 2.521 ( -14.703 -0.000 14.583) 20.708 2.674 ( -0.548 -0.000 4.300) 4.335 2.727 ( -0.642 -0.000 -2.888) 2.959 2.765 ( -2.702 -0.000 7.632) 8.096 2.899 ( 0.268 0.000 -1.353) 1.379 2.977 ( -2.858 -0.000 7.069) 7.625 3.155 ( 3.924 0.000 4.765) 6.173 3.268 ( -4.081 -0.000 11.942) 12.620 3.368 ( 3.635 0.000 -6.343) 7.311 3.446 ( -5.607 -0.000 1.245) 5.743 3.461 ( -0.341 -0.000 -6.090) 6.100 3.510 ( 2.212 0.000 0.638) 2.302 3.572 ( -2.448 -0.000 -4.668) 5.271 3.581 ( -2.141 -0.000 0.088) 2.142 3.812 ( 3.567 0.000 -4.079) 5.419 4.054 ( 5.113 0.000 7.997) 9.491 4.176 ( -4.620 -0.000 -4.853) 6.701 4.343 ( -3.795 -0.000 -0.110) 3.796 4.370 ( -0.114 -0.000 -9.527) 9.528 4.385 ( -2.929 -0.000 -4.280) 5.186 4.496 ( 7.769 0.000 -0.452) 7.782 4.703 ( -3.846 -0.000 -5.558) 6.759 4.844 ( -3.508 -0.000 9.889) 10.493 4.891 ( 4.837 0.000 4.389) 6.532 5.068 ( -1.767 -0.000 -2.283) 2.887 5.095 ( -0.415 -0.000 4.759) 4.777 5.193 ( 4.025 0.000 6.207) 7.398 5.246 ( 4.757 0.000 3.410) 5.853 5.327 ( -0.960 -0.000 -0.521) 1.093 5.433 ( -0.988 -0.000 5.326) 5.417 5.526 ( 4.943 0.000 -2.279) 5.443 5.639 ( 2.529 0.000 -1.759) 3.080 5.654 ( 5.062 0.000 -6.862) 8.527 5.782 ( -1.126 -0.000 4.740) 4.872 5.817 ( 5.070 0.000 2.829) 5.806 5.989 ( -1.445 -0.000 0.336) 1.484 5.990 ( 1.688 0.000 -7.320) 7.512 6.088 ( 3.531 0.000 -1.278) 3.755 6.282 ( -2.378 -0.000 -2.678) 3.582 6.399 ( -3.857 -0.000 -4.835) 6.184 6.560 ( -14.499 -0.000 6.200) 15.769 6.866 ( 5.181 0.000 -2.479) 5.744 6.913 ( -2.097 -0.000 3.222) 3.844 7.275 ( -0.878 -0.000 -0.058) 0.880 7.339 ( 1.369 0.000 -1.765) 2.233 7.367 ( -3.241 -0.000 -0.546) 3.286 7.411 ( -1.217 -0.000 -2.543) 2.819 7.847 ( 5.717 0.000 -2.163) 6.112 7.908 ( -0.773 -0.000 1.309) 1.520 8.276 ( 6.314 0.000 -6.539) 9.090 8.280 ( -3.182 -0.000 6.612) 7.338 10.058 ( 0.541 0.000 -0.984) 1.122 10.089 ( -1.684 -0.000 0.983) 1.950 10.331 ( 0.022 0.000 -2.198) 2.198 10.363 ( -0.486 -0.000 1.853) 1.915 10.368 ( 0.584 0.000 0.243) 0.633 10.391 ( 0.945 0.000 -1.580) 1.841 10.658 ( -1.026 -0.000 -0.235) 1.053 10.661 ( -0.270 -0.000 -0.654) 0.708 11.016 ( 1.709 0.000 -0.060) 1.710 11.077 ( -1.954 -0.000 0.959) 2.177 11.276 ( -1.480 -0.000 5.732) 5.920 11.280 ( 2.906 0.000 -2.406) 3.773 11.973 ( 0.817 0.000 0.001) 0.817 11.990 ( 1.132 0.000 -0.362) 1.189 12.200 ( -0.313 -0.000 1.341) 1.377 12.211 ( 0.036 0.000 0.891) 0.892 12.371 ( -0.665 -0.000 -0.458) 0.807 12.385 ( -0.290 -0.000 -1.080) 1.118 12.453 ( -0.456 -0.000 -0.060) 0.460 12.493 ( -0.713 -0.000 -0.913) 1.158 12.742 ( -1.177 -0.000 4.109) 4.274 12.856 ( 2.096 0.000 -4.942) 5.368 12.905 ( -0.780 -0.000 1.121) 1.366 12.941 ( 1.902 0.000 -2.013) 2.769 12.945 ( -0.970 -0.000 1.376) 1.684 13.011 ( 1.713 0.000 -4.567) 4.877 13.204 ( 0.761 0.000 -0.801) 1.105 13.257 ( -0.544 -0.000 -0.971) 1.113 ======================= Grid point 162 (89/97) ======================= q-point: (-0.50 -0.67 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( -12.782 -6.427 9.010) 16.908 1.769 ( 11.993 -1.614 -15.635) 19.771 2.047 ( 14.273 -2.848 -9.486) 17.373 2.247 ( -13.923 -0.606 3.426) 14.351 2.449 ( -8.943 -2.188 12.787) 15.757 2.524 ( -0.565 5.051 6.266) 8.068 2.613 ( 3.954 5.294 -0.346) 6.616 2.699 ( 0.779 0.530 -2.565) 2.732 2.796 ( -1.310 -1.804 3.649) 4.277 2.895 ( -0.086 -0.226 -2.787) 2.797 3.000 ( -0.236 1.080 4.561) 4.693 3.185 ( 0.880 3.207 -0.422) 3.352 3.289 ( -1.784 0.411 10.904) 11.057 3.395 ( 6.760 0.153 -5.141) 8.494 3.421 ( -1.202 0.362 -0.439) 1.330 3.457 ( -1.598 -4.153 -1.432) 4.675 3.512 ( -2.365 -7.597 1.536) 8.103 3.535 ( 1.190 -0.016 -0.130) 1.197 3.686 ( -0.360 -12.431 -3.583) 12.942 3.810 ( 0.064 0.998 -5.327) 5.421 4.022 ( 1.277 8.766 2.243) 9.138 4.192 ( -0.035 -3.182 5.684) 6.514 4.246 ( -5.074 4.814 -2.326) 7.371 4.331 ( -1.666 -3.280 -4.652) 5.931 4.415 ( -0.314 -6.749 -3.102) 7.435 4.581 ( 5.703 -0.396 -2.211) 6.129 4.638 ( -3.135 -0.242 -3.103) 4.418 4.751 ( -8.438 5.203 2.209) 10.157 4.976 ( 5.430 4.295 2.814) 7.473 5.054 ( -1.926 4.403 1.561) 5.053 5.074 ( 3.569 0.921 4.262) 5.635 5.218 ( 2.784 4.213 1.989) 5.427 5.267 ( 0.358 4.731 4.106) 6.274 5.351 ( -1.705 -3.487 -0.684) 3.941 5.451 ( -1.256 -1.242 6.773) 7.000 5.585 ( 3.943 -0.078 0.470) 3.971 5.645 ( 2.416 -0.069 -1.147) 2.675 5.686 ( 3.378 -0.708 -4.299) 5.513 5.783 ( -0.093 1.457 2.860) 3.211 5.898 ( 0.455 -0.523 0.762) 1.030 5.948 ( 1.073 2.641 0.504) 2.895 6.009 ( 9.968 -0.498 -7.455) 12.458 6.079 ( -3.383 1.641 -4.563) 5.912 6.190 ( 1.585 8.316 -2.016) 8.703 6.295 ( -3.034 3.709 -2.993) 5.650 6.395 ( -12.583 4.010 3.480) 13.657 6.935 ( 4.223 -2.685 -0.821) 5.071 6.939 ( -1.998 -3.713 2.191) 4.752 7.192 ( -0.183 4.626 -0.283) 4.639 7.284 ( -1.343 2.651 -3.256) 4.408 7.491 ( -2.139 -13.252 1.900) 13.557 7.503 ( 2.233 -13.373 -2.441) 13.776 7.889 ( 0.556 0.235 1.090) 1.246 7.929 ( 1.074 -3.816 -1.638) 4.290 8.252 ( -4.710 2.384 6.250) 8.181 8.304 ( 6.318 2.647 -6.008) 9.111 10.063 ( 0.903 0.062 -0.816) 1.219 10.070 ( -1.238 0.317 0.494) 1.370 10.323 ( 0.568 0.568 -0.285) 0.853 10.342 ( -0.601 3.004 0.898) 3.193 10.349 ( 0.252 3.005 0.180) 3.021 10.399 ( 0.432 -0.602 -1.972) 2.106 10.652 ( -0.360 -0.807 0.124) 0.892 10.669 ( -0.207 -1.524 -0.449) 1.602 11.034 ( 0.905 0.163 0.162) 0.934 11.061 ( -1.480 -0.559 0.324) 1.614 11.275 ( -2.452 0.588 5.105) 5.693 11.318 ( 4.019 -0.992 -3.081) 5.160 11.994 ( 0.562 -1.661 0.221) 1.768 12.009 ( 0.627 -1.472 -0.501) 1.677 12.189 ( -0.294 2.171 1.374) 2.586 12.200 ( 0.034 2.224 0.511) 2.282 12.372 ( -0.241 -1.224 -0.130) 1.255 12.383 ( 0.147 -0.978 -1.176) 1.536 12.447 ( -0.145 0.263 -0.158) 0.339 12.472 ( -0.534 1.007 -1.101) 1.585 12.756 ( -1.085 -0.774 3.846) 4.070 12.856 ( 1.794 -0.411 -4.656) 5.006 12.871 ( -1.207 3.148 2.445) 4.165 12.939 ( 2.132 1.802 -3.022) 4.114 12.972 ( -0.789 -3.322 0.558) 3.460 13.018 ( 1.269 -1.655 -3.828) 4.359 13.213 ( 1.686 0.089 -1.054) 1.991 13.242 ( -0.827 0.274 -0.845) 1.214 ======================= Grid point 163 (90/97) ======================= q-point: (-0.33 -0.67 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( -12.300 -6.039 8.456) 16.102 1.846 ( 7.301 -2.116 -7.840) 10.920 2.125 ( -13.699 -5.280 5.078) 15.535 2.245 ( 13.618 -2.776 -3.236) 14.270 2.412 ( 0.536 9.207 5.717) 10.850 2.451 ( -7.230 -1.168 7.122) 10.215 2.629 ( -1.595 -2.789 2.140) 3.860 2.722 ( 3.773 0.528 0.649) 3.864 2.801 ( -2.272 -0.449 2.691) 3.550 2.870 ( -0.871 0.454 -4.910) 5.008 3.006 ( 4.765 1.516 -1.800) 5.314 3.105 ( -0.245 6.167 -4.011) 7.361 3.302 ( -3.065 0.885 7.864) 8.487 3.424 ( 3.788 -0.555 -2.625) 4.642 3.469 ( -0.364 -3.625 -2.268) 4.291 3.522 ( 2.340 -2.214 -2.419) 4.028 3.531 ( 3.000 -2.713 2.731) 4.880 3.651 ( -2.043 -4.836 -0.793) 5.309 3.756 ( -0.116 -4.696 -1.814) 5.035 3.826 ( -0.837 -9.898 -3.402) 10.500 4.004 ( 4.253 1.993 4.629) 6.595 4.095 ( -4.783 5.030 -2.736) 7.461 4.271 ( -1.237 -5.525 6.484) 8.608 4.338 ( -1.649 -1.918 -1.614) 3.000 4.449 ( 0.232 5.014 2.358) 5.546 4.550 ( -2.465 6.419 -2.532) 7.328 4.604 ( -5.515 -4.891 3.207) 8.039 4.683 ( 2.809 -3.909 -2.817) 5.577 4.923 ( -1.473 7.336 1.661) 7.665 4.964 ( 1.966 7.780 -1.997) 8.269 5.142 ( 3.334 3.020 3.400) 5.639 5.192 ( -0.030 3.239 -0.665) 3.307 5.229 ( 2.987 3.903 5.105) 7.086 5.310 ( -3.182 1.630 -2.586) 4.412 5.501 ( -1.761 -0.169 5.360) 5.645 5.597 ( 1.116 2.958 -1.347) 3.436 5.650 ( -0.339 3.171 1.778) 3.651 5.712 ( 1.741 -1.559 -2.807) 3.652 5.786 ( -0.609 -0.300 3.280) 3.350 5.870 ( 0.039 2.114 -5.358) 5.760 5.922 ( -1.906 -0.055 2.775) 3.367 6.011 ( -1.997 -1.602 -2.053) 3.282 6.052 ( -0.146 3.809 -0.391) 3.832 6.114 ( 2.425 2.588 -6.037) 7.002 6.213 ( -10.270 1.431 1.534) 10.482 6.313 ( 16.385 1.155 -6.503) 17.666 6.959 ( -3.297 -1.480 3.561) 5.073 7.006 ( 1.679 -2.106 0.502) 2.739 7.174 ( 0.650 -1.173 0.038) 1.341 7.233 ( 0.129 0.595 -4.652) 4.691 7.633 ( -3.146 -9.055 2.778) 9.981 7.703 ( 3.430 -10.884 -3.215) 11.856 7.914 ( -0.380 -4.207 3.669) 5.595 7.991 ( -0.171 -6.534 -3.386) 7.361 8.168 ( -5.003 6.437 5.199) 9.669 8.276 ( 5.054 7.547 -5.198) 10.465 10.059 ( -1.266 -1.014 0.807) 1.812 10.076 ( 1.384 -0.058 -0.851) 1.625 10.289 ( -0.490 3.154 0.732) 3.275 10.301 ( 0.215 3.634 -0.381) 3.661 10.339 ( 0.833 0.038 1.556) 1.765 10.393 ( -0.154 -0.407 -3.180) 3.210 10.667 ( -0.134 -1.189 0.896) 1.495 10.686 ( 0.032 -1.437 -0.636) 1.572 11.035 ( -0.378 0.316 1.335) 1.423 11.061 ( 0.087 -0.632 -1.222) 1.379 11.259 ( -3.056 0.685 4.488) 5.472 11.354 ( 4.182 0.380 -4.446) 6.116 12.027 ( -0.137 -2.355 0.494) 2.410 12.037 ( 0.048 -2.416 -0.353) 2.442 12.153 ( -0.171 3.424 0.767) 3.513 12.161 ( 0.088 3.606 -0.069) 3.607 12.390 ( -0.451 -1.782 0.407) 1.883 12.406 ( 1.094 -2.048 -1.099) 2.569 12.440 ( -0.298 0.432 -0.151) 0.546 12.449 ( 0.299 1.050 -1.050) 1.515 12.777 ( -1.075 -1.461 3.340) 3.801 12.828 ( -1.811 2.708 3.032) 4.450 12.863 ( 1.766 -0.753 -4.036) 4.469 12.917 ( 2.161 2.115 -4.281) 5.242 13.007 ( -0.319 -2.439 -0.091) 2.461 13.036 ( 1.280 -1.094 -2.519) 3.030 13.223 ( -0.950 0.254 -0.705) 1.210 13.229 ( 1.949 -0.194 -1.350) 2.379 ======================= Grid point 164 (91/97) ======================= q-point: (-0.17 -0.67 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( -7.412 -4.074 5.727) 10.214 1.898 ( 4.736 1.024 -5.107) 7.039 2.098 ( -14.080 -11.021 4.648) 18.475 2.319 ( 3.379 9.644 8.345) 13.193 2.346 ( -1.859 3.690 -0.176) 4.135 2.466 ( 6.910 -3.357 -2.002) 7.939 2.697 ( -3.976 -4.424 4.796) 7.641 2.751 ( 0.599 -2.743 3.639) 4.596 2.803 ( -1.287 2.093 -3.390) 4.186 2.844 ( -1.012 -2.711 8.159) 8.657 3.014 ( 2.151 4.163 -6.661) 8.144 3.035 ( 5.366 0.779 -5.936) 8.040 3.260 ( -5.688 2.045 4.095) 7.301 3.422 ( 1.197 2.883 -5.145) 6.018 3.474 ( -0.048 -0.519 3.140) 3.183 3.577 ( 0.495 0.821 -6.512) 6.582 3.604 ( -0.759 -6.530 -2.823) 7.155 3.638 ( 3.804 0.472 2.427) 4.537 3.842 ( -3.296 0.123 -3.445) 4.770 3.882 ( 3.532 0.049 6.115) 7.062 3.992 ( -3.222 -2.119 -0.828) 3.944 4.120 ( 5.199 -3.207 0.250) 6.113 4.223 ( -7.203 3.853 -0.245) 8.172 4.392 ( 0.560 -6.687 4.386) 8.017 4.467 ( 0.641 -7.568 0.734) 7.631 4.487 ( 6.144 5.750 1.559) 8.558 4.627 ( -4.739 0.407 9.493) 10.617 4.758 ( 0.071 -4.136 0.173) 4.140 4.834 ( -0.768 1.527 -1.474) 2.257 4.860 ( 1.556 8.203 -2.723) 8.782 5.092 ( -1.403 4.204 1.928) 4.833 5.152 ( 0.295 3.000 -2.963) 4.227 5.212 ( -3.734 2.114 -2.409) 4.921 5.290 ( 3.808 0.405 1.047) 3.970 5.462 ( -3.164 2.684 4.245) 5.936 5.526 ( 0.302 5.108 -1.343) 5.290 5.631 ( -0.299 1.351 3.079) 3.376 5.712 ( -0.061 -0.032 -2.223) 2.224 5.748 ( -0.481 5.818 -0.626) 5.872 5.816 ( 4.284 6.194 -3.105) 8.147 5.953 ( -5.280 2.900 1.059) 6.117 6.003 ( -1.854 -6.928 3.383) 7.929 6.027 ( -2.452 -7.317 0.692) 7.748 6.131 ( -3.408 -3.352 -4.057) 6.269 6.148 ( 2.779 -5.348 -5.159) 7.934 6.506 ( 17.761 -1.143 -5.342) 18.582 6.939 ( -5.195 -0.157 4.052) 6.590 7.029 ( 0.125 0.399 0.433) 0.602 7.213 ( 1.483 -0.189 0.323) 1.529 7.222 ( -0.425 -3.850 -3.853) 5.464 7.653 ( -5.212 -0.989 1.379) 5.482 7.816 ( 4.433 -1.582 -2.316) 5.246 8.001 ( -3.771 10.647 2.551) 11.579 8.026 ( -0.045 -5.387 4.654) 7.119 8.085 ( -0.750 -8.471 -3.214) 9.092 8.178 ( 4.116 9.865 -4.008) 11.416 10.069 ( -0.963 -1.615 0.285) 1.902 10.087 ( 0.393 -0.158 0.343) 0.545 10.264 ( 0.229 1.380 0.444) 1.468 10.268 ( 0.037 -0.118 -0.325) 0.348 10.356 ( 0.086 -0.168 0.877) 0.897 10.382 ( 0.532 -0.601 -2.776) 2.890 10.683 ( -0.562 -0.784 0.595) 1.133 10.698 ( 0.235 -0.571 -0.394) 0.733 11.033 ( -0.984 -0.062 0.675) 1.195 11.066 ( 1.406 0.353 -0.260) 1.472 11.237 ( -2.689 0.628 4.035) 4.889 11.353 ( 2.944 2.317 -5.027) 6.269 12.047 ( -0.268 0.547 0.811) 1.014 12.059 ( 0.011 0.408 0.086) 0.417 12.119 ( -0.001 0.404 -0.061) 0.409 12.123 ( -0.022 0.400 -0.440) 0.595 12.407 ( -0.688 -1.130 0.078) 1.325 12.426 ( -0.156 0.822 0.113) 0.844 12.442 ( 0.575 -1.543 -0.969) 1.911 12.446 ( 0.908 -0.816 -0.410) 1.288 12.786 ( -1.873 2.057 3.244) 4.274 12.807 ( -1.131 -1.861 2.911) 3.636 12.875 ( 1.692 -0.917 -3.645) 4.122 12.893 ( 2.189 1.517 -4.740) 5.437 13.025 ( 0.287 -0.425 -0.597) 0.787 13.046 ( 1.321 0.315 -1.986) 2.406 13.207 ( -0.945 -0.256 -0.548) 1.122 13.247 ( 1.491 -0.491 -1.460) 2.144 ======================= Grid point 168 (92/97) ======================= q-point: (-0.50 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( -16.440 -0.000 12.861) 20.873 1.812 ( 10.067 0.000 -14.879) 17.964 2.068 ( -15.789 -0.000 1.364) 15.848 2.151 ( 10.049 0.000 -1.481) 10.158 2.316 ( -12.243 -0.000 14.079) 18.657 2.665 ( 11.319 0.000 -10.392) 15.366 2.690 ( 0.748 0.000 4.375) 4.438 2.724 ( -2.698 -0.000 -0.441) 2.734 2.806 ( 5.672 0.000 3.527) 6.679 2.900 ( -0.696 -0.000 0.130) 0.708 3.029 ( 0.065 0.000 8.744) 8.744 3.212 ( 1.275 0.000 -6.018) 6.152 3.296 ( -3.239 -0.000 7.884) 8.523 3.374 ( -3.898 -0.000 6.460) 7.545 3.418 ( 1.505 0.000 -2.166) 2.638 3.459 ( -0.974 -0.000 -6.655) 6.726 3.482 ( 7.135 0.000 -0.596) 7.160 3.509 ( -2.588 -0.000 -2.448) 3.563 3.610 ( 4.639 0.000 2.873) 5.457 3.765 ( -2.287 -0.000 -9.581) 9.850 4.108 ( 0.799 0.000 3.658) 3.744 4.181 ( -2.133 -0.000 1.826) 2.808 4.236 ( -5.506 -0.000 1.502) 5.707 4.272 ( -1.967 -0.000 -1.119) 2.263 4.358 ( 4.838 0.000 2.807) 5.593 4.504 ( -4.001 -0.000 -8.820) 9.685 4.695 ( -9.110 -0.000 2.112) 9.352 4.720 ( 8.737 0.000 -0.551) 8.754 5.047 ( -6.145 -0.000 2.430) 6.608 5.086 ( 5.924 0.000 -0.615) 5.956 5.158 ( 5.197 0.000 6.224) 8.108 5.252 ( -3.224 -0.000 -2.797) 4.268 5.312 ( 1.082 0.000 3.151) 3.331 5.324 ( -0.106 -0.000 1.754) 1.758 5.449 ( -2.931 -0.000 6.603) 7.224 5.624 ( 4.294 0.000 -3.025) 5.253 5.680 ( 1.052 0.000 -2.520) 2.731 5.681 ( 3.108 0.000 -6.208) 6.943 5.799 ( -2.974 -0.000 6.967) 7.576 5.886 ( -1.293 -0.000 -1.271) 1.813 5.977 ( 0.719 0.000 0.686) 0.994 6.027 ( -1.467 -0.000 -4.909) 5.123 6.104 ( -14.087 -0.000 1.368) 14.154 6.149 ( 12.871 0.000 -3.589) 13.362 6.366 ( 9.759 0.000 -0.870) 9.798 6.375 ( -3.973 -0.000 -2.834) 4.880 6.883 ( -3.704 -0.000 3.270) 4.941 6.955 ( 3.920 0.000 -2.767) 4.798 7.267 ( 0.078 0.000 1.100) 1.103 7.292 ( -1.655 -0.000 -1.070) 1.970 7.365 ( 1.824 0.000 -1.240) 2.205 7.365 ( -0.865 -0.000 -1.578) 1.799 7.878 ( -3.412 -0.000 2.513) 4.237 7.928 ( 2.786 0.000 -2.006) 3.433 8.235 ( -6.204 -0.000 6.436) 8.939 8.364 ( 6.089 0.000 -6.127) 8.639 10.056 ( -1.608 -0.000 0.681) 1.747 10.078 ( 2.028 0.000 -1.422) 2.477 10.336 ( 0.874 0.000 0.681) 1.108 10.358 ( -1.119 -0.000 0.152) 1.129 10.369 ( -0.312 -0.000 -0.150) 0.346 10.395 ( 0.767 0.000 -1.466) 1.655 10.638 ( -0.836 -0.000 0.735) 1.113 10.658 ( 0.532 0.000 -0.851) 1.004 11.042 ( -1.447 -0.000 0.721) 1.617 11.050 ( 1.389 0.000 -0.252) 1.412 11.266 ( -3.679 -0.000 4.258) 5.627 11.351 ( 5.115 0.000 -3.485) 6.189 11.991 ( 0.353 0.000 0.197) 0.404 12.001 ( 0.123 0.000 -0.732) 0.742 12.207 ( -0.492 -0.000 1.535) 1.612 12.217 ( -0.183 -0.000 0.485) 0.518 12.364 ( 0.509 0.000 -0.318) 0.601 12.371 ( 0.444 0.000 -1.442) 1.508 12.449 ( 0.144 0.000 0.322) 0.353 12.468 ( -0.128 -0.000 -1.307) 1.313 12.757 ( -1.267 -0.000 3.848) 4.051 12.849 ( 1.572 0.000 -4.533) 4.797 12.911 ( -0.388 -0.000 2.495) 2.525 12.923 ( -1.777 -0.000 1.239) 2.167 12.969 ( 2.286 0.000 -2.460) 3.358 12.992 ( 1.269 0.000 -4.936) 5.097 13.229 ( 1.856 0.000 -1.071) 2.142 13.229 ( -0.676 -0.000 -1.018) 1.222 ======================= Grid point 169 (93/97) ======================= q-point: (-0.33 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( -14.523 -8.486 13.133) 21.340 1.780 ( -12.091 -2.088 2.835) 12.593 1.977 ( 1.297 -1.655 -6.116) 6.468 2.237 ( -10.227 -9.669 14.097) 19.921 2.361 ( 10.239 -1.677 -4.265) 11.217 2.630 ( -0.190 8.795 4.804) 10.024 2.696 ( 2.038 5.803 -1.076) 6.244 2.728 ( 2.911 -3.109 -2.394) 4.886 2.839 ( 0.873 3.548 -2.736) 4.565 2.880 ( 5.290 3.842 -1.196) 6.647 3.069 ( 0.287 0.888 6.247) 6.317 3.160 ( 1.432 4.941 -6.764) 8.498 3.299 ( -4.615 0.281 4.640) 6.551 3.364 ( -3.227 -4.499 3.226) 6.408 3.431 ( 1.771 -1.042 -4.320) 4.784 3.486 ( 3.123 -3.318 -1.782) 4.892 3.550 ( -0.430 -6.797 -0.076) 6.811 3.594 ( 4.237 -5.411 0.108) 6.873 3.682 ( 0.067 -0.787 -5.164) 5.224 3.699 ( 2.494 -4.379 -1.376) 5.224 4.090 ( -3.517 7.082 0.727) 7.940 4.134 ( 0.435 1.560 1.720) 2.363 4.209 ( -1.878 -3.670 7.030) 8.150 4.286 ( -0.145 -1.956 0.436) 2.009 4.424 ( -4.443 -4.250 -3.232) 6.946 4.511 ( 2.127 -6.431 2.132) 7.101 4.566 ( -6.189 5.439 3.302) 8.876 4.787 ( 8.792 5.040 -0.460) 10.144 4.958 ( -5.788 3.389 1.830) 6.952 5.102 ( 4.025 6.635 -1.327) 7.872 5.184 ( -3.806 0.767 -4.619) 6.034 5.212 ( 0.146 2.824 1.816) 3.360 5.289 ( -0.522 1.983 2.505) 3.237 5.342 ( 1.829 1.298 0.279) 2.260 5.466 ( -4.070 -2.531 6.197) 7.835 5.635 ( 2.392 0.291 -6.142) 6.598 5.669 ( -1.100 -1.257 -0.915) 1.905 5.682 ( 0.229 -0.500 -4.409) 4.443 5.790 ( -4.891 0.312 8.217) 9.567 5.849 ( -0.936 2.034 -2.522) 3.373 5.933 ( -2.897 3.120 -0.423) 4.279 5.996 ( 1.002 -1.047 1.025) 1.775 6.035 ( -0.655 -0.033 -4.759) 4.804 6.175 ( 2.609 9.959 -1.507) 10.405 6.271 ( 0.194 7.017 -0.731) 7.058 6.494 ( 15.857 0.615 -4.029) 16.372 6.878 ( -5.353 -3.573 2.927) 7.070 6.998 ( 2.112 -2.508 -2.205) 3.951 7.212 ( 0.400 5.766 1.055) 5.876 7.235 ( 1.161 1.516 -1.947) 2.727 7.456 ( -2.189 -12.307 1.850) 12.636 7.540 ( 2.902 -15.592 -2.466) 16.051 7.861 ( -3.222 -2.335 2.194) 4.544 7.943 ( 0.502 -0.611 -1.547) 1.737 8.183 ( -6.072 1.615 5.720) 8.497 8.375 ( 4.344 3.316 -5.570) 7.803 10.042 ( -1.215 -0.030 0.943) 1.539 10.093 ( 2.252 0.408 -1.579) 2.781 10.324 ( -1.531 2.254 0.438) 2.760 10.344 ( 0.253 1.844 -0.150) 1.868 10.359 ( 0.341 0.497 1.020) 1.185 10.381 ( 0.582 1.429 -1.996) 2.523 10.646 ( -0.493 -1.489 0.844) 1.781 10.669 ( 0.566 -1.206 -0.595) 1.459 11.031 ( -1.007 0.009 0.609) 1.177 11.067 ( 1.612 -0.093 -0.330) 1.648 11.243 ( -3.614 -0.144 3.668) 5.151 11.387 ( 4.508 0.331 -4.955) 6.707 12.001 ( -0.262 -1.316 -0.021) 1.342 12.005 ( -0.465 -1.552 -0.437) 1.678 12.194 ( -0.413 2.158 1.145) 2.477 12.201 ( -0.280 2.199 0.148) 2.221 12.374 ( 0.623 -0.676 -0.434) 1.017 12.385 ( 1.073 -1.539 -1.298) 2.281 12.451 ( 0.320 0.677 0.635) 0.982 12.459 ( 0.484 0.574 -1.073) 1.310 12.766 ( -1.463 -0.725 3.655) 4.003 12.842 ( 0.520 0.323 -2.831) 2.896 12.873 ( -0.310 2.400 0.915) 2.588 12.948 ( 1.581 2.258 -3.571) 4.511 12.964 ( -0.285 -3.352 0.639) 3.424 13.014 ( 1.360 -2.287 -2.951) 3.973 13.215 ( -0.195 0.416 -1.213) 1.297 13.244 ( 1.650 0.076 -1.119) 1.996 ======================= Grid point 170 (94/97) ======================= q-point: (-0.17 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( -6.906 -9.173 8.970) 14.570 1.727 ( -15.278 -11.056 10.552) 21.610 1.991 ( 2.434 0.210 -4.126) 4.795 2.311 ( -6.297 -5.414 6.734) 10.692 2.482 ( 3.765 -1.964 -3.003) 5.201 2.527 ( 3.599 7.487 -1.416) 8.427 2.641 ( 2.610 4.005 2.897) 5.589 2.768 ( -3.618 -1.204 3.930) 5.475 2.844 ( 2.454 5.831 -0.001) 6.326 2.854 ( 5.482 -2.258 -0.604) 5.960 3.067 ( 1.909 4.160 -4.532) 6.441 3.088 ( 0.829 2.856 -0.315) 2.991 3.232 ( -6.029 1.595 2.393) 6.680 3.421 ( -0.594 -0.342 -3.107) 3.182 3.456 ( -0.099 -5.759 2.270) 6.191 3.519 ( 2.148 0.601 -5.122) 5.587 3.557 ( 1.016 -0.820 -5.260) 5.420 3.719 ( 4.465 -5.090 2.428) 7.193 3.742 ( -0.486 -3.979 -0.459) 4.035 3.816 ( -1.481 -8.392 0.113) 8.523 3.969 ( -0.268 1.457 -0.162) 1.490 4.173 ( -0.282 -2.257 1.376) 2.658 4.239 ( 0.253 7.903 4.602) 9.148 4.317 ( -1.258 -6.199 -2.162) 6.685 4.383 ( -2.934 -1.723 5.739) 6.672 4.538 ( -4.122 -7.054 5.414) 9.801 4.631 ( 1.882 -2.005 6.877) 7.407 4.800 ( 6.562 5.815 0.345) 8.775 4.864 ( -1.930 3.957 -0.129) 4.404 4.989 ( -0.190 10.656 -2.536) 10.955 5.084 ( -3.671 2.110 -5.728) 7.123 5.146 ( -4.553 1.569 -1.990) 5.211 5.231 ( -0.004 6.340 -1.197) 6.452 5.375 ( 4.219 1.717 2.313) 5.109 5.453 ( -4.453 -0.396 2.668) 5.206 5.616 ( 1.995 3.721 -2.777) 5.053 5.658 ( -0.241 0.206 -0.387) 0.501 5.704 ( 0.030 1.718 -2.065) 2.687 5.726 ( -4.571 -5.268 1.860) 7.219 5.860 ( 1.037 -1.167 -0.443) 1.623 5.898 ( -0.401 -1.783 -0.947) 2.058 5.972 ( -4.616 1.546 -1.179) 5.009 6.024 ( 2.884 4.417 1.008) 5.371 6.073 ( 4.280 4.168 -4.556) 7.513 6.181 ( 1.750 6.614 -1.231) 6.952 6.662 ( 13.163 -1.110 -2.019) 13.363 6.855 ( -8.183 -2.068 2.949) 8.941 7.035 ( 0.295 -1.488 -0.207) 1.531 7.175 ( 0.581 0.667 -0.460) 0.997 7.242 ( 2.661 0.651 -1.596) 3.170 7.568 ( -1.907 -6.171 0.422) 6.472 7.769 ( 3.883 -12.449 -2.458) 13.271 7.909 ( -1.470 -7.376 -0.008) 7.522 7.960 ( -1.509 -5.439 1.091) 5.749 8.103 ( -4.535 5.503 4.594) 8.483 8.315 ( 2.414 7.421 -4.637) 9.077 10.042 ( -0.763 -0.966 0.958) 1.559 10.101 ( 1.491 0.786 -0.992) 1.956 10.279 ( -1.212 1.982 0.913) 2.496 10.303 ( 0.248 3.507 -0.423) 3.541 10.345 ( -0.338 0.658 -2.139) 2.263 10.386 ( 1.157 -0.351 0.811) 1.456 10.663 ( -0.401 -1.121 0.091) 1.194 10.692 ( 0.440 -1.140 0.156) 1.232 11.024 ( -0.806 -0.206 0.321) 0.892 11.087 ( 1.743 -0.011 -0.078) 1.744 11.228 ( -2.640 -0.305 3.834) 4.665 11.386 ( 2.751 1.831 -6.220) 7.043 12.023 ( -0.477 -2.795 0.122) 2.838 12.029 ( -0.507 -2.787 0.254) 2.844 12.155 ( -0.057 3.475 0.260) 3.485 12.158 ( -0.168 3.542 -0.222) 3.553 12.390 ( 0.449 -0.860 -0.163) 0.984 12.411 ( 0.422 -1.557 -1.142) 1.977 12.449 ( 0.965 0.704 0.095) 1.199 12.454 ( 0.362 0.607 -0.160) 0.724 12.781 ( -1.552 -1.392 3.250) 3.862 12.815 ( -1.240 2.100 1.771) 3.014 12.866 ( 1.562 -0.448 -3.012) 3.422 12.917 ( 1.703 2.060 -4.316) 5.077 13.006 ( 0.202 -2.450 0.096) 2.460 13.040 ( 0.825 -1.512 -2.077) 2.699 13.202 ( 0.384 0.685 -1.280) 1.501 13.253 ( 1.053 0.079 -1.117) 1.537 ======================= Grid point 175 (95/97) ======================= q-point: (-0.33 -0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 97 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( -12.798 -0.000 16.602) 20.963 1.622 ( -15.745 -0.000 10.938) 19.172 1.996 ( 8.411 0.000 -11.417) 14.181 2.109 ( -12.434 -0.000 19.967) 23.522 2.446 ( 7.568 0.000 -3.989) 8.555 2.698 ( 1.865 0.000 -0.034) 1.865 2.720 ( 0.316 0.000 0.787) 0.848 2.746 ( 0.433 0.000 0.706) 0.828 2.838 ( -0.942 -0.000 -5.839) 5.914 3.000 ( 7.766 0.000 -4.725) 9.091 3.116 ( -1.672 -0.000 10.926) 11.053 3.176 ( 3.511 0.000 -9.954) 10.555 3.256 ( -5.229 -0.000 0.569) 5.260 3.362 ( -2.508 -0.000 5.855) 6.370 3.430 ( 3.400 0.000 -3.440) 4.837 3.443 ( 0.592 0.000 1.419) 1.538 3.490 ( 3.107 0.000 1.218) 3.337 3.601 ( 0.973 0.000 -8.757) 8.811 3.618 ( 3.048 0.000 -4.301) 5.272 3.739 ( 0.567 0.000 3.446) 3.492 4.136 ( -2.940 -0.000 6.630) 7.253 4.163 ( -1.221 -0.000 1.740) 2.126 4.184 ( -0.651 -0.000 0.427) 0.778 4.202 ( -4.408 -0.000 2.605) 5.120 4.411 ( 4.585 0.000 -2.122) 5.052 4.464 ( -4.468 -0.000 3.469) 5.656 4.584 ( -0.500 -0.000 6.164) 6.184 4.913 ( -6.635 -0.000 3.934) 7.713 4.928 ( 8.114 0.000 -0.663) 8.141 5.113 ( -3.901 -0.000 -5.662) 6.876 5.166 ( -1.884 -0.000 -0.504) 1.951 5.238 ( -3.742 -0.000 0.451) 3.769 5.306 ( -1.143 -0.000 -3.122) 3.324 5.320 ( 1.759 0.000 2.283) 2.882 5.465 ( -0.236 -0.000 2.983) 2.992 5.609 ( 1.737 0.000 -10.727) 10.867 5.612 ( -2.128 -0.000 -3.445) 4.049 5.656 ( -1.501 -0.000 -3.385) 3.703 5.779 ( -3.537 -0.000 7.962) 8.712 5.857 ( 0.489 0.000 -1.979) 2.039 5.912 ( -0.425 -0.000 -2.219) 2.259 5.998 ( 2.344 0.000 -1.503) 2.784 6.073 ( 1.517 0.000 0.528) 1.606 6.287 ( 1.605 0.000 -3.167) 3.550 6.323 ( 2.786 0.000 2.037) 3.452 6.630 ( 6.450 0.000 1.313) 6.582 6.818 ( -0.971 -0.000 0.780) 1.246 6.988 ( 2.086 0.000 -3.603) 4.163 7.270 ( -0.116 -0.000 0.431) 0.446 7.288 ( -1.148 -0.000 2.934) 3.150 7.366 ( 2.830 0.000 -0.734) 2.924 7.405 ( 3.275 0.000 -1.637) 3.662 7.812 ( -3.218 -0.000 0.774) 3.310 7.933 ( -1.050 -0.000 -0.974) 1.433 8.147 ( -6.240 -0.000 6.026) 8.675 8.408 ( 2.678 0.000 -5.690) 6.289 10.036 ( -0.775 -0.000 1.179) 1.411 10.118 ( 2.666 0.000 -1.883) 3.264 10.311 ( -2.200 -0.000 -0.003) 2.200 10.365 ( 0.619 0.000 0.462) 0.773 10.366 ( -0.354 -0.000 0.660) 0.749 10.398 ( 0.856 0.000 -1.499) 1.726 10.639 ( 0.167 0.000 1.216) 1.228 10.663 ( 0.548 0.000 -0.543) 0.771 11.020 ( -1.076 -0.000 -0.148) 1.086 11.086 ( 1.765 0.000 -0.113) 1.768 11.219 ( -2.855 -0.000 3.189) 4.280 11.408 ( 3.403 0.000 -6.338) 7.194 11.980 ( -1.132 -0.000 -0.508) 1.240 11.988 ( -0.408 -0.000 -0.241) 0.473 12.209 ( -0.461 -0.000 1.108) 1.201 12.212 ( -0.492 -0.000 0.101) 0.502 12.377 ( 1.352 0.000 -1.566) 2.068 12.384 ( 1.459 0.000 -0.688) 1.613 12.464 ( 0.803 0.000 -1.067) 1.335 12.466 ( 0.344 0.000 1.413) 1.455 12.762 ( -1.771 -0.000 3.822) 4.213 12.835 ( 1.206 0.000 -3.919) 4.100 12.899 ( -0.736 -0.000 0.095) 0.742 12.933 ( -0.321 -0.000 2.790) 2.809 12.975 ( 1.694 0.000 -4.526) 4.832 12.983 ( 0.667 0.000 -2.011) 2.119 13.215 ( 0.907 0.000 -1.732) 1.955 13.256 ( 1.204 0.000 -0.969) 1.545 ======================= Grid point 176 (96/97) ======================= q-point: (-0.17 -0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( -6.072 -10.331 13.959) 18.397 1.564 ( -8.531 -2.813 16.733) 18.992 2.008 ( 3.178 0.886 -4.194) 5.336 2.172 ( -5.330 -9.066 11.817) 15.819 2.482 ( 1.635 0.044 -2.339) 2.854 2.648 ( 0.472 8.010 -2.960) 8.553 2.731 ( -2.445 -0.397 3.441) 4.240 2.756 ( 4.089 1.968 -0.409) 4.557 2.827 ( 0.263 -3.597 -2.398) 4.331 2.990 ( 4.543 5.521 -8.053) 10.769 3.116 ( -2.348 4.514 11.341) 12.430 3.146 ( 3.739 4.347 -8.268) 10.061 3.182 ( -4.579 0.316 -1.691) 4.891 3.377 ( -1.489 -2.737 6.455) 7.168 3.443 ( 2.657 -0.315 -0.623) 2.747 3.518 ( 1.949 -1.291 -6.406) 6.819 3.552 ( 2.829 -1.049 -0.318) 3.034 3.631 ( 2.568 -4.060 -3.345) 5.854 3.669 ( 0.542 -10.135 -0.865) 10.186 3.750 ( -1.902 -2.794 0.714) 3.454 4.038 ( 1.096 7.883 -1.663) 8.131 4.130 ( -6.300 -1.489 10.251) 12.124 4.213 ( -0.698 -3.811 -2.650) 4.694 4.303 ( -1.517 -4.844 6.072) 7.915 4.424 ( 1.570 1.334 3.787) 4.311 4.446 ( 0.090 -0.716 2.256) 2.368 4.637 ( -2.281 -2.320 9.055) 9.622 4.847 ( -5.079 0.980 2.651) 5.813 4.973 ( 4.962 5.318 -4.738) 8.680 5.030 ( -2.127 2.368 -1.833) 3.673 5.075 ( -4.156 4.158 -1.008) 5.965 5.134 ( -2.280 5.742 -3.109) 6.916 5.295 ( -0.329 1.446 -4.493) 4.731 5.361 ( -0.269 -2.715 0.221) 2.738 5.463 ( 0.912 0.620 0.041) 1.103 5.583 ( -0.535 -2.379 -7.568) 7.951 5.597 ( -0.831 -3.024 -2.606) 4.078 5.631 ( -0.267 -1.435 -3.122) 3.447 5.777 ( -1.311 4.435 2.726) 5.369 5.835 ( 2.063 0.339 -2.309) 3.115 5.914 ( -0.481 -1.128 0.799) 1.464 5.985 ( 2.124 5.642 -3.341) 6.892 6.068 ( 0.469 0.131 1.499) 1.576 6.246 ( 5.798 9.122 -0.819) 10.840 6.308 ( 1.957 7.368 0.765) 7.661 6.660 ( -8.834 -3.909 4.827) 10.799 6.844 ( 5.817 1.873 -0.087) 6.112 7.008 ( 1.764 -2.087 -2.793) 3.908 7.229 ( 1.383 4.056 -0.849) 4.369 7.274 ( 0.187 1.691 2.316) 2.874 7.461 ( 2.275 -9.313 1.066) 9.646 7.594 ( 4.398 -15.650 -3.209) 16.570 7.811 ( -1.382 -4.419 -0.736) 4.688 7.905 ( -3.243 -0.323 0.418) 3.285 8.110 ( -4.621 0.632 5.497) 7.209 8.378 ( 0.822 3.216 -5.323) 6.273 10.037 ( -0.247 -0.020 1.467) 1.488 10.130 ( 2.230 1.081 -1.953) 3.155 10.283 ( -2.195 0.845 1.624) 2.858 10.342 ( -0.083 2.484 -0.293) 2.503 10.363 ( 0.177 2.142 -0.701) 2.261 10.397 ( 1.103 -0.119 -0.678) 1.300 10.653 ( 0.429 -0.375 0.634) 0.852 10.681 ( 0.600 -1.461 0.234) 1.597 11.006 ( -1.242 -0.513 -0.425) 1.409 11.106 ( 1.603 -0.065 -0.247) 1.623 11.214 ( -1.604 -0.562 3.352) 3.758 11.393 ( 1.383 0.915 -7.545) 7.725 11.979 ( -0.960 -2.096 0.019) 2.305 11.993 ( -0.393 -1.741 -0.333) 1.816 12.191 ( -0.415 2.096 0.081) 2.138 12.196 ( -0.267 2.076 0.453) 2.141 12.391 ( 1.386 -0.563 -1.107) 1.861 12.400 ( 1.157 -0.396 -1.031) 1.600 12.465 ( 0.721 0.673 -0.629) 1.170 12.473 ( 0.252 0.686 1.427) 1.603 12.765 ( -1.988 -0.692 3.803) 4.347 12.829 ( 0.904 0.478 -2.465) 2.668 12.874 ( 0.184 1.525 -0.421) 1.593 12.942 ( 1.184 2.306 -3.658) 4.483 12.971 ( -0.229 -3.031 1.345) 3.324 13.008 ( 0.633 -2.407 -2.386) 3.447 13.216 ( 1.692 0.668 -1.937) 2.658 13.260 ( 0.574 0.269 -0.848) 1.059 ======================= Grid point 182 (97/97) ======================= q-point: (-0.17 -0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( -1.043 -0.000 16.464) 16.497 1.597 ( 0.721 0.000 18.312) 18.326 2.020 ( 2.070 0.000 -8.376) 8.628 2.141 ( -1.507 -0.000 17.854) 17.917 2.480 ( -0.952 -0.000 -1.287) 1.601 2.717 ( -4.442 -0.000 6.492) 7.866 2.728 ( 2.079 0.000 -4.719) 5.157 2.738 ( 0.542 0.000 -2.967) 3.016 2.804 ( 0.873 0.000 -3.640) 3.743 2.986 ( -2.968 -0.000 -2.861) 4.123 3.100 ( -5.639 -0.000 -3.363) 6.565 3.167 ( 4.645 0.000 -10.430) 11.418 3.246 ( 2.551 0.000 5.854) 6.386 3.408 ( -1.568 -0.000 11.681) 11.786 3.449 ( 0.723 0.000 -1.985) 2.113 3.513 ( 5.249 0.000 -4.449) 6.881 3.580 ( 2.895 0.000 -1.699) 3.357 3.596 ( 2.381 0.000 3.719) 4.416 3.636 ( 1.440 0.000 -2.233) 2.657 3.679 ( -3.506 -0.000 -2.159) 4.118 4.053 ( 0.567 0.000 -8.731) 8.750 4.093 ( -9.362 -0.000 10.766) 14.267 4.232 ( 0.018 0.000 2.310) 2.310 4.282 ( 1.098 0.000 10.157) 10.216 4.398 ( 0.094 0.000 4.729) 4.729 4.536 ( 5.347 0.000 -3.281) 6.273 4.620 ( -6.783 -0.000 12.562) 14.277 4.801 ( -4.241 -0.000 0.826) 4.320 4.977 ( -0.716 -0.000 -6.888) 6.925 5.032 ( -3.616 -0.000 -1.981) 4.123 5.089 ( 1.358 0.000 3.544) 3.796 5.156 ( -1.638 -0.000 -4.448) 4.741 5.218 ( 1.262 0.000 -9.022) 9.109 5.360 ( -1.220 -0.000 -5.336) 5.474 5.436 ( -2.242 -0.000 2.713) 3.519 5.515 ( -0.739 -0.000 -7.000) 7.039 5.605 ( 3.158 0.000 -0.865) 3.274 5.607 ( 0.404 0.000 -1.500) 1.553 5.812 ( -0.063 -0.000 -2.157) 2.158 5.836 ( -0.420 -0.000 -3.364) 3.391 5.929 ( 1.049 0.000 5.848) 5.941 6.048 ( 1.890 0.000 -1.125) 2.199 6.066 ( 3.770 0.000 -3.583) 5.201 6.368 ( -1.426 -0.000 2.948) 3.275 6.398 ( 6.832 0.000 -1.592) 7.015 6.535 ( -10.566 -0.000 4.538) 11.499 6.922 ( 3.033 0.000 1.375) 3.330 6.997 ( 1.938 0.000 -3.228) 3.765 7.284 ( 0.148 0.000 1.941) 1.947 7.284 ( -1.284 -0.000 2.766) 3.050 7.457 ( 4.559 0.000 -0.218) 4.565 7.492 ( 4.021 0.000 -0.641) 4.072 7.769 ( 2.076 0.000 -4.865) 5.290 7.858 ( -5.170 -0.000 0.650) 5.210 8.095 ( -3.162 -0.000 6.346) 7.090 8.370 ( -0.415 -0.000 -5.941) 5.956 10.047 ( 0.355 0.000 1.810) 1.844 10.151 ( 1.686 0.000 -2.393) 2.927 10.277 ( -2.037 -0.000 3.307) 3.884 10.364 ( -0.305 -0.000 0.441) 0.536 10.370 ( 0.421 0.000 -1.339) 1.403 10.402 ( 1.001 0.000 -2.058) 2.288 10.672 ( 1.321 0.000 1.082) 1.707 10.673 ( 0.395 0.000 0.310) 0.502 10.984 ( -1.014 -0.000 -0.516) 1.138 11.118 ( 0.709 0.000 -0.602) 0.929 11.214 ( -0.610 -0.000 2.822) 2.888 11.362 ( -0.378 -0.000 -7.996) 8.005 11.954 ( -0.706 -0.000 0.199) 0.733 11.974 ( -0.262 -0.000 -0.779) 0.822 12.201 ( -0.414 -0.000 0.147) 0.439 12.209 ( -0.332 -0.000 0.523) 0.619 12.396 ( 1.385 0.000 -1.393) 1.964 12.409 ( 1.248 0.000 -1.118) 1.676 12.478 ( 1.002 0.000 -0.481) 1.112 12.486 ( -0.399 -0.000 1.890) 1.931 12.756 ( -2.366 -0.000 4.123) 4.754 12.831 ( 2.121 0.000 -4.116) 4.630 12.890 ( 0.060 0.000 -0.266) 0.272 12.944 ( -0.696 -0.000 0.688) 0.979 12.966 ( -0.458 -0.000 -0.427) 0.626 12.977 ( 2.153 0.000 -3.814) 4.379 13.234 ( 2.175 0.000 -2.125) 3.041 13.262 ( 0.029 0.000 -0.655) 0.656 =================== 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 3/27216 10.0 464.305 360.401 248.543 -0.000 -7.723 -0.000 3/27216 20.0 55.263 63.052 35.522 -0.000 -2.781 -0.000 3/27216 30.0 20.051 25.587 14.180 -0.000 -1.714 -0.000 3/27216 40.0 10.782 14.509 8.066 -0.000 -1.151 -0.000 3/27216 50.0 7.042 9.779 5.475 -0.000 -0.848 -0.000 3/27216 60.0 5.151 7.303 4.118 -0.000 -0.669 -0.000 3/27216 70.0 4.048 5.823 3.302 -0.000 -0.552 -0.000 3/27216 80.0 3.336 4.851 2.762 -0.000 -0.472 -0.000 3/27216 90.0 2.841 4.167 2.380 -0.000 -0.414 -0.000 3/27216 100.0 2.478 3.660 2.094 -0.000 -0.369 -0.000 3/27216 110.0 2.201 3.268 1.873 -0.000 -0.334 -0.000 3/27216 120.0 1.981 2.955 1.696 -0.000 -0.305 -0.000 3/27216 130.0 1.803 2.700 1.552 -0.000 -0.282 -0.000 3/27216 140.0 1.655 2.488 1.431 -0.000 -0.262 -0.000 3/27216 150.0 1.531 2.307 1.329 -0.000 -0.245 -0.000 3/27216 160.0 1.424 2.152 1.241 -0.000 -0.230 -0.000 3/27216 170.0 1.332 2.018 1.165 -0.000 -0.217 -0.000 3/27216 180.0 1.252 1.899 1.098 -0.000 -0.206 -0.000 3/27216 190.0 1.181 1.795 1.038 -0.000 -0.195 -0.000 3/27216 200.0 1.117 1.701 0.985 -0.000 -0.186 -0.000 3/27216 210.0 1.061 1.617 0.938 -0.000 -0.178 -0.000 3/27216 220.0 1.010 1.541 0.894 -0.000 -0.170 -0.000 3/27216 230.0 0.964 1.472 0.855 -0.000 -0.163 -0.000 3/27216 240.0 0.922 1.409 0.819 -0.000 -0.157 -0.000 3/27216 250.0 0.883 1.352 0.786 -0.000 -0.151 -0.000 3/27216 260.0 0.848 1.299 0.756 -0.000 -0.146 -0.000 3/27216 270.0 0.815 1.250 0.728 -0.000 -0.140 -0.000 3/27216 280.0 0.785 1.205 0.702 -0.000 -0.136 -0.000 3/27216 290.0 0.757 1.162 0.678 -0.000 -0.131 -0.000 3/27216 300.0 0.731 1.123 0.656 -0.000 -0.127 -0.000 3/27216 310.0 0.707 1.086 0.634 -0.000 -0.123 -0.000 3/27216 320.0 0.684 1.052 0.615 -0.000 -0.120 -0.000 3/27216 330.0 0.663 1.020 0.596 -0.000 -0.116 -0.000 3/27216 340.0 0.643 0.990 0.579 -0.000 -0.113 -0.000 3/27216 350.0 0.625 0.961 0.562 -0.000 -0.110 -0.000 3/27216 360.0 0.607 0.934 0.547 -0.000 -0.107 -0.000 3/27216 370.0 0.590 0.909 0.532 -0.000 -0.104 -0.000 3/27216 380.0 0.574 0.885 0.518 -0.000 -0.102 -0.000 3/27216 390.0 0.559 0.862 0.505 -0.000 -0.099 -0.000 3/27216 400.0 0.545 0.840 0.493 -0.000 -0.097 -0.000 3/27216 410.0 0.532 0.820 0.481 -0.000 -0.095 -0.000 3/27216 420.0 0.519 0.800 0.469 -0.000 -0.092 -0.000 3/27216 430.0 0.507 0.782 0.459 -0.000 -0.090 -0.000 3/27216 440.0 0.495 0.764 0.448 -0.000 -0.088 -0.000 3/27216 450.0 0.484 0.747 0.438 -0.000 -0.086 -0.000 3/27216 460.0 0.473 0.730 0.429 -0.000 -0.085 -0.000 3/27216 470.0 0.463 0.715 0.420 -0.000 -0.083 -0.000 3/27216 480.0 0.453 0.700 0.411 -0.000 -0.081 -0.000 3/27216 490.0 0.444 0.686 0.403 -0.000 -0.080 -0.000 3/27216 500.0 0.435 0.672 0.395 -0.000 -0.078 -0.000 3/27216 510.0 0.426 0.659 0.387 -0.000 -0.077 -0.000 3/27216 520.0 0.418 0.646 0.380 -0.000 -0.075 -0.000 3/27216 530.0 0.410 0.634 0.373 -0.000 -0.074 -0.000 3/27216 540.0 0.403 0.622 0.366 -0.000 -0.072 -0.000 3/27216 550.0 0.395 0.611 0.359 -0.000 -0.071 -0.000 3/27216 560.0 0.388 0.600 0.353 -0.000 -0.070 -0.000 3/27216 570.0 0.381 0.589 0.347 -0.000 -0.069 -0.000 3/27216 580.0 0.375 0.579 0.341 -0.000 -0.068 -0.000 3/27216 590.0 0.368 0.569 0.335 -0.000 -0.067 -0.000 3/27216 600.0 0.362 0.560 0.330 -0.000 -0.065 -0.000 3/27216 610.0 0.356 0.551 0.324 -0.000 -0.064 -0.000 3/27216 620.0 0.350 0.542 0.319 -0.000 -0.063 -0.000 3/27216 630.0 0.345 0.533 0.314 -0.000 -0.062 -0.000 3/27216 640.0 0.339 0.525 0.309 -0.000 -0.061 -0.000 3/27216 650.0 0.334 0.517 0.304 -0.000 -0.061 -0.000 3/27216 660.0 0.329 0.509 0.300 -0.000 -0.060 -0.000 3/27216 670.0 0.324 0.501 0.295 -0.000 -0.059 -0.000 3/27216 680.0 0.319 0.494 0.291 -0.000 -0.058 -0.000 3/27216 690.0 0.315 0.487 0.287 -0.000 -0.057 -0.000 3/27216 700.0 0.310 0.480 0.283 -0.000 -0.056 -0.000 3/27216 710.0 0.306 0.473 0.279 -0.000 -0.056 -0.000 3/27216 720.0 0.301 0.466 0.275 -0.000 -0.055 -0.000 3/27216 730.0 0.297 0.460 0.271 -0.000 -0.054 -0.000 3/27216 740.0 0.293 0.454 0.268 -0.000 -0.053 -0.000 3/27216 750.0 0.289 0.448 0.264 -0.000 -0.053 -0.000 3/27216 760.0 0.286 0.442 0.261 -0.000 -0.052 -0.000 3/27216 770.0 0.282 0.436 0.257 -0.000 -0.051 -0.000 3/27216 780.0 0.278 0.431 0.254 -0.000 -0.051 -0.000 3/27216 790.0 0.275 0.425 0.251 -0.000 -0.050 -0.000 3/27216 800.0 0.271 0.420 0.248 -0.000 -0.049 -0.000 3/27216 810.0 0.268 0.415 0.245 -0.000 -0.049 -0.000 3/27216 820.0 0.265 0.410 0.242 -0.000 -0.048 -0.000 3/27216 830.0 0.261 0.405 0.239 -0.000 -0.048 -0.000 3/27216 840.0 0.258 0.400 0.236 -0.000 -0.047 -0.000 3/27216 850.0 0.255 0.395 0.233 -0.000 -0.047 -0.000 3/27216 860.0 0.252 0.391 0.230 -0.000 -0.046 -0.000 3/27216 870.0 0.249 0.386 0.228 -0.000 -0.045 -0.000 3/27216 880.0 0.247 0.382 0.225 -0.000 -0.045 -0.000 3/27216 890.0 0.244 0.377 0.223 -0.000 -0.044 -0.000 3/27216 900.0 0.241 0.373 0.220 -0.000 -0.044 -0.000 3/27216 910.0 0.238 0.369 0.218 -0.000 -0.044 -0.000 3/27216 920.0 0.236 0.365 0.215 -0.000 -0.043 -0.000 3/27216 930.0 0.233 0.361 0.213 -0.000 -0.043 -0.000 3/27216 940.0 0.231 0.357 0.211 -0.000 -0.042 -0.000 3/27216 950.0 0.228 0.354 0.209 -0.000 -0.042 -0.000 3/27216 960.0 0.226 0.350 0.207 -0.000 -0.041 -0.000 3/27216 970.0 0.224 0.346 0.204 -0.000 -0.041 -0.000 3/27216 980.0 0.221 0.343 0.202 -0.000 -0.040 -0.000 3/27216 990.0 0.219 0.339 0.200 -0.000 -0.040 -0.000 3/27216 1000.0 0.217 0.336 0.198 -0.000 -0.040 -0.000 3/27216 Thermal conductivity related properties were written into "kappa-m669.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:51:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|