----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 04:17:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.884706880233759 0.000000000000000 0.000000000000000 b 0.000000000000000 8.235968840000000 0.000000000000000 c -2.596071724246753 0.000000000000000 8.755746944146278 Atomic positions (fractional): *1 Cs 0.08153384307350 0.06829357468989 0.75034983506858 132.905 2 Cs 0.91846615692650 0.56829357468989 0.74965016493142 132.905 3 Cs 0.91846615692650 0.93170642531011 0.24965016493142 132.905 4 Cs 0.08153384307350 0.43170642531011 0.25034983506858 132.905 *5 Ag 0.44602339973331 0.23817262777007 0.06600714919330 107.868 6 Ag 0.55397660026669 0.73817262777007 0.43399285080670 107.868 7 Ag 0.55397660026669 0.76182737222993 0.93399285080670 107.868 8 Ag 0.44602339973331 0.26182737222993 0.56600714919330 107.868 *9 Ag 0.67308769309503 0.02404968119595 0.78553526857070 107.868 10 Ag 0.32691230690497 0.52404968119595 0.71446473142930 107.868 11 Ag 0.32691230690497 0.97595031880405 0.21446473142930 107.868 12 Ag 0.67308769309503 0.47595031880405 0.28553526857070 107.868 *13 As 0.34751272347321 0.86363772704136 0.55379054475362 74.922 14 As 0.65248727652679 0.36363772704136 0.94620945524638 74.922 15 As 0.65248727652679 0.13636227295864 0.44620945524638 74.922 16 As 0.34751272347321 0.63636227295864 0.05379054475362 74.922 *17 S 0.42946865478928 0.98758412342480 0.79106651024833 32.065 18 S 0.57053134521072 0.48758412342480 0.70893348975167 32.065 19 S 0.57053134521072 0.01241587657520 0.20893348975167 32.065 20 S 0.42946865478928 0.51241587657520 0.29106651024833 32.065 *21 S 0.84109050379629 0.21921842933650 0.93921387491872 32.065 22 S 0.15890949620371 0.71921842933650 0.56078612508128 32.065 23 S 0.15890949620371 0.78078157066350 0.06078612508128 32.065 24 S 0.84109050379629 0.28078157066350 0.43921387491872 32.065 *25 S 0.24823650053166 0.09663586388289 0.43101036303885 32.065 26 S 0.75176349946834 0.59663586388289 0.06898963696115 32.065 27 S 0.75176349946834 0.90336413611711 0.56898963696115 32.065 28 S 0.24823650053166 0.40336413611711 0.93101036303885 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.884706880233759 0.000000000000000 0.000000000000000 b 0.000000000000000 8.235968840000000 0.000000000000000 c -2.596071724246753 0.000000000000000 8.755746944146278 Atomic positions (fractional): *1 Cs 0.08153384307350 0.06829357468989 0.75034983506858 132.905 > 1 2 Cs 0.91846615692650 0.56829357468989 0.74965016493142 132.905 > 2 3 Cs 0.91846615692650 0.93170642531011 0.24965016493142 132.905 > 3 4 Cs 0.08153384307350 0.43170642531011 0.25034983506858 132.905 > 4 *5 Ag 0.44602339973331 0.23817262777007 0.06600714919330 107.868 > 5 6 Ag 0.55397660026669 0.73817262777007 0.43399285080670 107.868 > 6 7 Ag 0.55397660026669 0.76182737222993 0.93399285080670 107.868 > 7 8 Ag 0.44602339973331 0.26182737222993 0.56600714919330 107.868 > 8 *9 Ag 0.67308769309503 0.02404968119595 0.78553526857070 107.868 > 9 10 Ag 0.32691230690497 0.52404968119595 0.71446473142930 107.868 > 10 11 Ag 0.32691230690497 0.97595031880405 0.21446473142930 107.868 > 11 12 Ag 0.67308769309503 0.47595031880405 0.28553526857070 107.868 > 12 *13 As 0.34751272347321 0.86363772704136 0.55379054475362 74.922 > 13 14 As 0.65248727652679 0.36363772704136 0.94620945524638 74.922 > 14 15 As 0.65248727652679 0.13636227295864 0.44620945524638 74.922 > 15 16 As 0.34751272347321 0.63636227295864 0.05379054475362 74.922 > 16 *17 S 0.42946865478928 0.98758412342480 0.79106651024833 32.065 > 17 18 S 0.57053134521072 0.48758412342480 0.70893348975167 32.065 > 18 19 S 0.57053134521072 0.01241587657520 0.20893348975167 32.065 > 19 20 S 0.42946865478928 0.51241587657520 0.29106651024833 32.065 > 20 *21 S 0.84109050379629 0.21921842933650 0.93921387491872 32.065 > 21 22 S 0.15890949620371 0.71921842933650 0.56078612508128 32.065 > 22 23 S 0.15890949620371 0.78078157066350 0.06078612508128 32.065 > 23 24 S 0.84109050379629 0.28078157066350 0.43921387491872 32.065 > 24 *25 S 0.24823650053166 0.09663586388289 0.43101036303885 32.065 > 25 26 S 0.75176349946834 0.59663586388289 0.06898963696115 32.065 > 26 27 S 0.75176349946834 0.90336413611711 0.56898963696115 32.065 > 27 28 S 0.24823650053166 0.40336413611711 0.93101036303885 32.065 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.884706880233759 0.000000000000000 0.000000000000000 b 0.000000000000000 16.471937680000000 0.000000000000000 c -5.192143448493506 0.000000000000000 17.511493888292556 Atomic positions (fractional): *1 Cs 0.08153384307350 0.03414678734495 0.37517491753429 132.905 > 1 2 Cs 0.08153384307350 0.53414678734495 0.37517491753429 132.905 > 1 3 Cs 0.08153384307350 0.03414678734495 0.87517491753429 132.905 > 1 4 Cs 0.08153384307350 0.53414678734495 0.87517491753429 132.905 > 1 5 Cs 0.91846615692650 0.28414678734495 0.37482508246571 132.905 > 2 6 Cs 0.91846615692650 0.78414678734495 0.37482508246571 132.905 > 2 7 Cs 0.91846615692650 0.28414678734495 0.87482508246571 132.905 > 2 8 Cs 0.91846615692650 0.78414678734495 0.87482508246571 132.905 > 2 9 Cs 0.91846615692650 0.46585321265505 0.12482508246571 132.905 > 3 10 Cs 0.91846615692650 0.96585321265505 0.12482508246571 132.905 > 3 11 Cs 0.91846615692650 0.46585321265505 0.62482508246571 132.905 > 3 12 Cs 0.91846615692650 0.96585321265505 0.62482508246571 132.905 > 3 13 Cs 0.08153384307350 0.21585321265505 0.12517491753429 132.905 > 4 14 Cs 0.08153384307350 0.71585321265505 0.12517491753429 132.905 > 4 15 Cs 0.08153384307350 0.21585321265505 0.62517491753429 132.905 > 4 16 Cs 0.08153384307350 0.71585321265505 0.62517491753429 132.905 > 4 *17 Ag 0.44602339973331 0.11908631388504 0.03300357459665 107.868 > 5 18 Ag 0.44602339973331 0.61908631388504 0.03300357459665 107.868 > 5 19 Ag 0.44602339973331 0.11908631388504 0.53300357459665 107.868 > 5 20 Ag 0.44602339973331 0.61908631388504 0.53300357459665 107.868 > 5 21 Ag 0.55397660026669 0.36908631388504 0.21699642540335 107.868 > 6 22 Ag 0.55397660026669 0.86908631388504 0.21699642540335 107.868 > 6 23 Ag 0.55397660026669 0.36908631388504 0.71699642540335 107.868 > 6 24 Ag 0.55397660026669 0.86908631388504 0.71699642540335 107.868 > 6 25 Ag 0.55397660026669 0.38091368611496 0.46699642540335 107.868 > 7 26 Ag 0.55397660026669 0.88091368611496 0.46699642540335 107.868 > 7 27 Ag 0.55397660026669 0.38091368611496 0.96699642540335 107.868 > 7 28 Ag 0.55397660026669 0.88091368611496 0.96699642540335 107.868 > 7 29 Ag 0.44602339973331 0.13091368611496 0.28300357459665 107.868 > 8 30 Ag 0.44602339973331 0.63091368611496 0.28300357459665 107.868 > 8 31 Ag 0.44602339973331 0.13091368611496 0.78300357459665 107.868 > 8 32 Ag 0.44602339973331 0.63091368611496 0.78300357459665 107.868 > 8 *33 Ag 0.67308769309503 0.01202484059798 0.39276763428535 107.868 > 9 34 Ag 0.67308769309503 0.51202484059798 0.39276763428535 107.868 > 9 35 Ag 0.67308769309503 0.01202484059798 0.89276763428535 107.868 > 9 36 Ag 0.67308769309503 0.51202484059798 0.89276763428535 107.868 > 9 37 Ag 0.32691230690497 0.26202484059798 0.35723236571465 107.868 > 10 38 Ag 0.32691230690497 0.76202484059798 0.35723236571465 107.868 > 10 39 Ag 0.32691230690497 0.26202484059798 0.85723236571465 107.868 > 10 40 Ag 0.32691230690497 0.76202484059798 0.85723236571465 107.868 > 10 41 Ag 0.32691230690497 0.48797515940202 0.10723236571465 107.868 > 11 42 Ag 0.32691230690497 0.98797515940202 0.10723236571465 107.868 > 11 43 Ag 0.32691230690497 0.48797515940202 0.60723236571465 107.868 > 11 44 Ag 0.32691230690497 0.98797515940202 0.60723236571465 107.868 > 11 45 Ag 0.67308769309503 0.23797515940202 0.14276763428535 107.868 > 12 46 Ag 0.67308769309503 0.73797515940202 0.14276763428535 107.868 > 12 47 Ag 0.67308769309503 0.23797515940202 0.64276763428535 107.868 > 12 48 Ag 0.67308769309503 0.73797515940202 0.64276763428535 107.868 > 12 *49 As 0.34751272347321 0.43181886352068 0.27689527237681 74.922 > 13 50 As 0.34751272347321 0.93181886352068 0.27689527237681 74.922 > 13 51 As 0.34751272347321 0.43181886352068 0.77689527237681 74.922 > 13 52 As 0.34751272347321 0.93181886352068 0.77689527237681 74.922 > 13 53 As 0.65248727652679 0.18181886352068 0.47310472762319 74.922 > 14 54 As 0.65248727652679 0.68181886352068 0.47310472762319 74.922 > 14 55 As 0.65248727652679 0.18181886352068 0.97310472762319 74.922 > 14 56 As 0.65248727652679 0.68181886352068 0.97310472762319 74.922 > 14 57 As 0.65248727652679 0.06818113647932 0.22310472762319 74.922 > 15 58 As 0.65248727652679 0.56818113647932 0.22310472762319 74.922 > 15 59 As 0.65248727652679 0.06818113647932 0.72310472762319 74.922 > 15 60 As 0.65248727652679 0.56818113647932 0.72310472762319 74.922 > 15 61 As 0.34751272347321 0.31818113647932 0.02689527237681 74.922 > 16 62 As 0.34751272347321 0.81818113647932 0.02689527237681 74.922 > 16 63 As 0.34751272347321 0.31818113647932 0.52689527237681 74.922 > 16 64 As 0.34751272347321 0.81818113647932 0.52689527237681 74.922 > 16 *65 S 0.42946865478928 0.49379206171240 0.39553325512416 32.065 > 17 66 S 0.42946865478928 0.99379206171240 0.39553325512416 32.065 > 17 67 S 0.42946865478928 0.49379206171240 0.89553325512417 32.065 > 17 68 S 0.42946865478928 0.99379206171240 0.89553325512417 32.065 > 17 69 S 0.57053134521072 0.24379206171240 0.35446674487584 32.065 > 18 70 S 0.57053134521072 0.74379206171240 0.35446674487584 32.065 > 18 71 S 0.57053134521072 0.24379206171240 0.85446674487583 32.065 > 18 72 S 0.57053134521072 0.74379206171240 0.85446674487583 32.065 > 18 73 S 0.57053134521072 0.00620793828760 0.10446674487584 32.065 > 19 74 S 0.57053134521072 0.50620793828760 0.10446674487584 32.065 > 19 75 S 0.57053134521072 0.00620793828760 0.60446674487583 32.065 > 19 76 S 0.57053134521072 0.50620793828760 0.60446674487583 32.065 > 19 77 S 0.42946865478928 0.25620793828760 0.14553325512417 32.065 > 20 78 S 0.42946865478928 0.75620793828760 0.14553325512417 32.065 > 20 79 S 0.42946865478928 0.25620793828760 0.64553325512417 32.065 > 20 80 S 0.42946865478928 0.75620793828760 0.64553325512417 32.065 > 20 *81 S 0.84109050379629 0.10960921466825 0.46960693745936 32.065 > 21 82 S 0.84109050379629 0.60960921466825 0.46960693745936 32.065 > 21 83 S 0.84109050379629 0.10960921466825 0.96960693745936 32.065 > 21 84 S 0.84109050379629 0.60960921466825 0.96960693745936 32.065 > 21 85 S 0.15890949620371 0.35960921466825 0.28039306254064 32.065 > 22 86 S 0.15890949620371 0.85960921466825 0.28039306254064 32.065 > 22 87 S 0.15890949620371 0.35960921466825 0.78039306254064 32.065 > 22 88 S 0.15890949620371 0.85960921466825 0.78039306254064 32.065 > 22 89 S 0.15890949620371 0.39039078533175 0.03039306254064 32.065 > 23 90 S 0.15890949620371 0.89039078533175 0.03039306254064 32.065 > 23 91 S 0.15890949620371 0.39039078533175 0.53039306254064 32.065 > 23 92 S 0.15890949620371 0.89039078533175 0.53039306254064 32.065 > 23 93 S 0.84109050379629 0.14039078533175 0.21960693745936 32.065 > 24 94 S 0.84109050379629 0.64039078533175 0.21960693745936 32.065 > 24 95 S 0.84109050379629 0.14039078533175 0.71960693745936 32.065 > 24 96 S 0.84109050379629 0.64039078533175 0.71960693745936 32.065 > 24 *97 S 0.24823650053166 0.04831793194144 0.21550518151943 32.065 > 25 98 S 0.24823650053166 0.54831793194144 0.21550518151943 32.065 > 25 99 S 0.24823650053166 0.04831793194144 0.71550518151943 32.065 > 25 100 S 0.24823650053166 0.54831793194144 0.71550518151943 32.065 > 25 101 S 0.75176349946834 0.29831793194144 0.03449481848057 32.065 > 26 102 S 0.75176349946834 0.79831793194144 0.03449481848057 32.065 > 26 103 S 0.75176349946834 0.29831793194144 0.53449481848057 32.065 > 26 104 S 0.75176349946834 0.79831793194144 0.53449481848057 32.065 > 26 105 S 0.75176349946834 0.45168206805856 0.28449481848057 32.065 > 27 106 S 0.75176349946834 0.95168206805856 0.28449481848057 32.065 > 27 107 S 0.75176349946834 0.45168206805856 0.78449481848057 32.065 > 27 108 S 0.75176349946834 0.95168206805856 0.78449481848057 32.065 > 27 109 S 0.24823650053166 0.20168206805856 0.46550518151943 32.065 > 28 110 S 0.24823650053166 0.70168206805856 0.46550518151943 32.065 > 28 111 S 0.24823650053166 0.20168206805856 0.96550518151943 32.065 > 28 112 S 0.24823650053166 0.70168206805856 0.96550518151943 32.065 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2620957 0.0000000 -0.4074803 0.0000000 7.3004497 0.0000000 -0.4074736 0.0000000 6.8756742 -------------------------- Born effective charges -------------------------- 1 Cs 1.9770502 -0.2844414 0.2086125 -0.1895217 1.2632847 0.1318504 0.2257186 0.0615138 1.3088695 2 Cs 1.9770502 0.2844414 0.2086125 0.1895217 1.2632847 -0.1318504 0.2257186 -0.0615138 1.3088695 3 Cs 1.9770502 -0.2844414 0.2086125 -0.1895217 1.2632847 0.1318504 0.2257186 0.0615138 1.3088695 4 Cs 1.9770502 0.2844414 0.2086125 0.1895217 1.2632847 -0.1318504 0.2257186 -0.0615138 1.3088695 5 Ag 0.3250292 -0.1561011 -0.1662716 -0.3243324 0.9516550 0.1969591 -0.0965832 -0.0788950 0.8100639 6 Ag 0.3250292 0.1561011 -0.1662716 0.3243324 0.9516550 -0.1969591 -0.0965832 0.0788950 0.8100639 7 Ag 0.3250292 -0.1561011 -0.1662716 -0.3243324 0.9516550 0.1969591 -0.0965832 -0.0788950 0.8100639 8 Ag 0.3250292 0.1561011 -0.1662716 0.3243324 0.9516550 -0.1969591 -0.0965832 0.0788950 0.8100639 9 Ag 0.4964451 0.1590541 -0.2002459 0.4761611 0.4765471 0.1035667 -0.2856813 0.2490121 0.5942006 10 Ag 0.4964451 -0.1590541 -0.2002459 -0.4761611 0.4765471 -0.1035667 -0.2856813 -0.2490121 0.5942006 11 Ag 0.4964451 0.1590541 -0.2002459 0.4761611 0.4765471 0.1035667 -0.2856813 0.2490121 0.5942006 12 Ag 0.4964451 -0.1590541 -0.2002459 -0.4761611 0.4765471 -0.1035667 -0.2856813 -0.2490121 0.5942006 13 As 1.3655985 0.7599642 0.1483561 0.9495092 2.8193830 -0.4667319 -0.0045600 -0.4139475 2.0949843 14 As 1.3655985 -0.7599642 0.1483561 -0.9495092 2.8193830 0.4667319 -0.0045600 0.4139475 2.0949843 15 As 1.3655985 0.7599642 0.1483561 0.9495092 2.8193830 -0.4667319 -0.0045600 -0.4139475 2.0949843 16 As 1.3655985 -0.7599642 0.1483561 -0.9495092 2.8193830 0.4667319 -0.0045600 0.4139475 2.0949843 17 S -0.8162016 -0.1343215 0.1413255 -0.3071691 -1.4096990 -0.4151170 0.0558362 -0.3588871 -2.2449426 18 S -0.8162016 0.1343215 0.1413255 0.3071691 -1.4096990 0.4151170 0.0558362 0.3588871 -2.2449426 19 S -0.8162016 -0.1343215 0.1413255 -0.3071691 -1.4096990 -0.4151170 0.0558362 -0.3588871 -2.2449426 20 S -0.8162016 0.1343215 0.1413255 0.3071691 -1.4096990 0.4151170 0.0558362 0.3588871 -2.2449426 21 S -2.2522373 0.5908906 -0.1355380 0.8431245 -1.7705075 -0.0827158 0.1792071 -0.2583246 -0.9745765 22 S -2.2522373 -0.5908906 -0.1355380 -0.8431245 -1.7705075 0.0827158 0.1792071 0.2583246 -0.9745765 23 S -2.2522373 0.5908906 -0.1355380 0.8431245 -1.7705075 -0.0827158 0.1792071 -0.2583246 -0.9745765 24 S -2.2522373 -0.5908906 -0.1355380 -0.8431245 -1.7705075 0.0827158 0.1792071 0.2583246 -0.9745765 25 S -1.0956840 0.0405979 0.0037615 0.3778186 -2.3306632 0.5453970 -0.0739374 0.6181108 -1.5885992 26 S -1.0956840 -0.0405979 0.0037615 -0.3778186 -2.3306632 -0.5453970 -0.0739374 -0.6181108 -1.5885992 27 S -1.0956840 0.0405979 0.0037615 0.3778186 -2.3306632 0.5453970 -0.0739374 0.6181108 -1.5885992 28 S -1.0956840 -0.0405979 0.0037615 -0.3778186 -2.3306632 -0.5453970 -0.0739374 -0.6181108 -1.5885992 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3612 Number of blocks in projector: 3612 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 420 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 420 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 420 Use standard eigh solver. Tree of FC basis block matrices: - (3612, 3550), data: False |-- (420, 413), data: True |-- (420, 413), data: True |-- (420, 413), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 880 - Time: 1.000 Solver_block: 200 / 880 - Time: 0.927 Solver_block: 300 / 880 - Time: 0.927 Solver_block: 400 / 880 - Time: 0.931 Solver_block: 500 / 880 - Time: 0.922 Solver_block: 600 / 880 - Time: 0.922 Solver_block: 700 / 880 - Time: 0.923 Solver_block: 800 / 880 - Time: 0.911 Solver_block: 880 / 880 - Time: 0.750 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 8.379 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3612 Number of blocks in projector: 3612 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 420 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 420 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 420 Use standard eigh solver. Tree of FC basis block matrices: - (3612, 3550), data: False |-- (420, 413), data: True |-- (420, 413), data: True |-- (420, 413), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), 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 2026-01-09 04:18:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:18:37]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.884706880233759 0.000000000000000 0.000000000000000 b 0.000000000000000 8.235968840000000 0.000000000000000 c -2.596071724246753 0.000000000000000 8.755746944146278 Atomic positions (fractional): 1 Cs 0.08153384307350 0.06829357468989 0.75034983506858 132.905 2 Cs 0.91846615692650 0.56829357468989 0.74965016493142 132.905 3 Cs 0.91846615692650 0.93170642531011 0.24965016493142 132.905 4 Cs 0.08153384307350 0.43170642531011 0.25034983506858 132.905 5 Ag 0.44602339973331 0.23817262777007 0.06600714919330 107.868 6 Ag 0.55397660026669 0.73817262777007 0.43399285080670 107.868 7 Ag 0.55397660026669 0.76182737222993 0.93399285080670 107.868 8 Ag 0.44602339973331 0.26182737222993 0.56600714919330 107.868 9 Ag 0.67308769309503 0.02404968119595 0.78553526857070 107.868 10 Ag 0.32691230690497 0.52404968119595 0.71446473142930 107.868 11 Ag 0.32691230690497 0.97595031880405 0.21446473142930 107.868 12 Ag 0.67308769309503 0.47595031880405 0.28553526857070 107.868 13 As 0.34751272347321 0.86363772704136 0.55379054475362 74.922 14 As 0.65248727652679 0.36363772704136 0.94620945524638 74.922 15 As 0.65248727652679 0.13636227295864 0.44620945524638 74.922 16 As 0.34751272347321 0.63636227295864 0.05379054475362 74.922 17 S 0.42946865478928 0.98758412342480 0.79106651024833 32.065 18 S 0.57053134521072 0.48758412342480 0.70893348975167 32.065 19 S 0.57053134521072 0.01241587657520 0.20893348975167 32.065 20 S 0.42946865478928 0.51241587657520 0.29106651024833 32.065 21 S 0.84109050379629 0.21921842933650 0.93921387491872 32.065 22 S 0.15890949620371 0.71921842933650 0.56078612508128 32.065 23 S 0.15890949620371 0.78078157066350 0.06078612508128 32.065 24 S 0.84109050379629 0.28078157066350 0.43921387491872 32.065 25 S 0.24823650053166 0.09663586388289 0.43101036303885 32.065 26 S 0.75176349946834 0.59663586388289 0.06898963696115 32.065 27 S 0.75176349946834 0.90336413611711 0.56898963696115 32.065 28 S 0.24823650053166 0.40336413611711 0.93101036303885 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.884706880233759 0.000000000000000 0.000000000000000 b 0.000000000000000 16.471937680000000 0.000000000000000 c -5.192143448493506 0.000000000000000 17.511493888292556 Atomic positions (fractional): 1 Cs 0.08153384307350 0.03414678734495 0.37517491753429 132.905 > 1 2 Cs 0.08153384307350 0.53414678734495 0.37517491753429 132.905 > 1 3 Cs 0.08153384307350 0.03414678734495 0.87517491753429 132.905 > 1 4 Cs 0.08153384307350 0.53414678734495 0.87517491753429 132.905 > 1 5 Cs 0.91846615692650 0.28414678734495 0.37482508246571 132.905 > 5 6 Cs 0.91846615692650 0.78414678734495 0.37482508246571 132.905 > 5 7 Cs 0.91846615692650 0.28414678734495 0.87482508246571 132.905 > 5 8 Cs 0.91846615692650 0.78414678734495 0.87482508246571 132.905 > 5 9 Cs 0.91846615692650 0.46585321265505 0.12482508246571 132.905 > 9 10 Cs 0.91846615692650 0.96585321265505 0.12482508246571 132.905 > 9 11 Cs 0.91846615692650 0.46585321265505 0.62482508246571 132.905 > 9 12 Cs 0.91846615692650 0.96585321265505 0.62482508246571 132.905 > 9 13 Cs 0.08153384307350 0.21585321265505 0.12517491753429 132.905 > 13 14 Cs 0.08153384307350 0.71585321265505 0.12517491753429 132.905 > 13 15 Cs 0.08153384307350 0.21585321265505 0.62517491753429 132.905 > 13 16 Cs 0.08153384307350 0.71585321265505 0.62517491753429 132.905 > 13 17 Ag 0.44602339973331 0.11908631388504 0.03300357459665 107.868 > 17 18 Ag 0.44602339973331 0.61908631388504 0.03300357459665 107.868 > 17 19 Ag 0.44602339973331 0.11908631388504 0.53300357459665 107.868 > 17 20 Ag 0.44602339973331 0.61908631388504 0.53300357459665 107.868 > 17 21 Ag 0.55397660026669 0.36908631388504 0.21699642540335 107.868 > 21 22 Ag 0.55397660026669 0.86908631388504 0.21699642540335 107.868 > 21 23 Ag 0.55397660026669 0.36908631388504 0.71699642540335 107.868 > 21 24 Ag 0.55397660026669 0.86908631388504 0.71699642540335 107.868 > 21 25 Ag 0.55397660026669 0.38091368611496 0.46699642540335 107.868 > 25 26 Ag 0.55397660026669 0.88091368611496 0.46699642540335 107.868 > 25 27 Ag 0.55397660026669 0.38091368611496 0.96699642540335 107.868 > 25 28 Ag 0.55397660026669 0.88091368611496 0.96699642540335 107.868 > 25 29 Ag 0.44602339973331 0.13091368611496 0.28300357459665 107.868 > 29 30 Ag 0.44602339973331 0.63091368611496 0.28300357459665 107.868 > 29 31 Ag 0.44602339973331 0.13091368611496 0.78300357459665 107.868 > 29 32 Ag 0.44602339973331 0.63091368611496 0.78300357459665 107.868 > 29 33 Ag 0.67308769309503 0.01202484059798 0.39276763428535 107.868 > 33 34 Ag 0.67308769309503 0.51202484059798 0.39276763428535 107.868 > 33 35 Ag 0.67308769309503 0.01202484059798 0.89276763428535 107.868 > 33 36 Ag 0.67308769309503 0.51202484059798 0.89276763428535 107.868 > 33 37 Ag 0.32691230690497 0.26202484059798 0.35723236571465 107.868 > 37 38 Ag 0.32691230690497 0.76202484059798 0.35723236571465 107.868 > 37 39 Ag 0.32691230690497 0.26202484059798 0.85723236571465 107.868 > 37 40 Ag 0.32691230690497 0.76202484059798 0.85723236571465 107.868 > 37 41 Ag 0.32691230690497 0.48797515940202 0.10723236571465 107.868 > 41 42 Ag 0.32691230690497 0.98797515940202 0.10723236571465 107.868 > 41 43 Ag 0.32691230690497 0.48797515940202 0.60723236571465 107.868 > 41 44 Ag 0.32691230690497 0.98797515940202 0.60723236571465 107.868 > 41 45 Ag 0.67308769309503 0.23797515940202 0.14276763428535 107.868 > 45 46 Ag 0.67308769309503 0.73797515940202 0.14276763428535 107.868 > 45 47 Ag 0.67308769309503 0.23797515940202 0.64276763428535 107.868 > 45 48 Ag 0.67308769309503 0.73797515940202 0.64276763428535 107.868 > 45 49 As 0.34751272347321 0.43181886352068 0.27689527237681 74.922 > 49 50 As 0.34751272347321 0.93181886352068 0.27689527237681 74.922 > 49 51 As 0.34751272347321 0.43181886352068 0.77689527237681 74.922 > 49 52 As 0.34751272347321 0.93181886352068 0.77689527237681 74.922 > 49 53 As 0.65248727652679 0.18181886352068 0.47310472762319 74.922 > 53 54 As 0.65248727652679 0.68181886352068 0.47310472762319 74.922 > 53 55 As 0.65248727652679 0.18181886352068 0.97310472762319 74.922 > 53 56 As 0.65248727652679 0.68181886352068 0.97310472762319 74.922 > 53 57 As 0.65248727652679 0.06818113647932 0.22310472762319 74.922 > 57 58 As 0.65248727652679 0.56818113647932 0.22310472762319 74.922 > 57 59 As 0.65248727652679 0.06818113647932 0.72310472762319 74.922 > 57 60 As 0.65248727652679 0.56818113647932 0.72310472762319 74.922 > 57 61 As 0.34751272347321 0.31818113647932 0.02689527237681 74.922 > 61 62 As 0.34751272347321 0.81818113647932 0.02689527237681 74.922 > 61 63 As 0.34751272347321 0.31818113647932 0.52689527237681 74.922 > 61 64 As 0.34751272347321 0.81818113647932 0.52689527237681 74.922 > 61 65 S 0.42946865478928 0.49379206171240 0.39553325512416 32.065 > 65 66 S 0.42946865478928 0.99379206171240 0.39553325512416 32.065 > 65 67 S 0.42946865478928 0.49379206171240 0.89553325512417 32.065 > 65 68 S 0.42946865478928 0.99379206171240 0.89553325512417 32.065 > 65 69 S 0.57053134521072 0.24379206171240 0.35446674487584 32.065 > 69 70 S 0.57053134521072 0.74379206171240 0.35446674487584 32.065 > 69 71 S 0.57053134521072 0.24379206171240 0.85446674487583 32.065 > 69 72 S 0.57053134521072 0.74379206171240 0.85446674487583 32.065 > 69 73 S 0.57053134521072 0.00620793828760 0.10446674487584 32.065 > 73 74 S 0.57053134521072 0.50620793828760 0.10446674487584 32.065 > 73 75 S 0.57053134521072 0.00620793828760 0.60446674487583 32.065 > 73 76 S 0.57053134521072 0.50620793828760 0.60446674487583 32.065 > 73 77 S 0.42946865478928 0.25620793828760 0.14553325512417 32.065 > 77 78 S 0.42946865478928 0.75620793828760 0.14553325512417 32.065 > 77 79 S 0.42946865478928 0.25620793828760 0.64553325512417 32.065 > 77 80 S 0.42946865478928 0.75620793828760 0.64553325512417 32.065 > 77 81 S 0.84109050379629 0.10960921466825 0.46960693745936 32.065 > 81 82 S 0.84109050379629 0.60960921466825 0.46960693745936 32.065 > 81 83 S 0.84109050379629 0.10960921466825 0.96960693745936 32.065 > 81 84 S 0.84109050379629 0.60960921466825 0.96960693745936 32.065 > 81 85 S 0.15890949620371 0.35960921466825 0.28039306254064 32.065 > 85 86 S 0.15890949620371 0.85960921466825 0.28039306254064 32.065 > 85 87 S 0.15890949620371 0.35960921466825 0.78039306254064 32.065 > 85 88 S 0.15890949620371 0.85960921466825 0.78039306254064 32.065 > 85 89 S 0.15890949620371 0.39039078533175 0.03039306254064 32.065 > 89 90 S 0.15890949620371 0.89039078533175 0.03039306254064 32.065 > 89 91 S 0.15890949620371 0.39039078533175 0.53039306254064 32.065 > 89 92 S 0.15890949620371 0.89039078533175 0.53039306254064 32.065 > 89 93 S 0.84109050379629 0.14039078533175 0.21960693745936 32.065 > 93 94 S 0.84109050379629 0.64039078533175 0.21960693745936 32.065 > 93 95 S 0.84109050379629 0.14039078533175 0.71960693745936 32.065 > 93 96 S 0.84109050379629 0.64039078533175 0.71960693745936 32.065 > 93 97 S 0.24823650053166 0.04831793194144 0.21550518151943 32.065 > 97 98 S 0.24823650053166 0.54831793194144 0.21550518151943 32.065 > 97 99 S 0.24823650053166 0.04831793194144 0.71550518151943 32.065 > 97 100 S 0.24823650053166 0.54831793194144 0.71550518151943 32.065 > 97 101 S 0.75176349946834 0.29831793194144 0.03449481848057 32.065 > 101 102 S 0.75176349946834 0.79831793194144 0.03449481848057 32.065 > 101 103 S 0.75176349946834 0.29831793194144 0.53449481848057 32.065 > 101 104 S 0.75176349946834 0.79831793194144 0.53449481848057 32.065 > 101 105 S 0.75176349946834 0.45168206805856 0.28449481848057 32.065 > 105 106 S 0.75176349946834 0.95168206805856 0.28449481848057 32.065 > 105 107 S 0.75176349946834 0.45168206805856 0.78449481848057 32.065 > 105 108 S 0.75176349946834 0.95168206805856 0.78449481848057 32.065 > 105 109 S 0.24823650053166 0.20168206805856 0.46550518151943 32.065 > 109 110 S 0.24823650053166 0.70168206805856 0.46550518151943 32.065 > 109 111 S 0.24823650053166 0.20168206805856 0.96550518151943 32.065 > 109 112 S 0.24823650053166 0.70168206805856 0.96550518151943 32.065 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2620957 0.0000000 -0.4074803 0.0000000 7.3004497 0.0000000 -0.4074736 0.0000000 6.8756742 -------------------------- Born effective charges -------------------------- 1 Cs 1.9770502 -0.2844414 0.2086125 -0.1895217 1.2632847 0.1318504 0.2257186 0.0615138 1.3088695 2 Cs 1.9770502 0.2844414 0.2086125 0.1895217 1.2632847 -0.1318504 0.2257186 -0.0615138 1.3088695 3 Cs 1.9770502 -0.2844414 0.2086125 -0.1895217 1.2632847 0.1318504 0.2257186 0.0615138 1.3088695 4 Cs 1.9770502 0.2844414 0.2086125 0.1895217 1.2632847 -0.1318504 0.2257186 -0.0615138 1.3088695 5 Ag 0.3250292 -0.1561011 -0.1662716 -0.3243324 0.9516550 0.1969591 -0.0965832 -0.0788950 0.8100639 6 Ag 0.3250292 0.1561011 -0.1662716 0.3243324 0.9516550 -0.1969591 -0.0965832 0.0788950 0.8100639 7 Ag 0.3250292 -0.1561011 -0.1662716 -0.3243324 0.9516550 0.1969591 -0.0965832 -0.0788950 0.8100639 8 Ag 0.3250292 0.1561011 -0.1662716 0.3243324 0.9516550 -0.1969591 -0.0965832 0.0788950 0.8100639 9 Ag 0.4964451 0.1590541 -0.2002459 0.4761611 0.4765471 0.1035667 -0.2856813 0.2490121 0.5942006 10 Ag 0.4964451 -0.1590541 -0.2002459 -0.4761611 0.4765471 -0.1035667 -0.2856813 -0.2490121 0.5942006 11 Ag 0.4964451 0.1590541 -0.2002459 0.4761611 0.4765471 0.1035667 -0.2856813 0.2490121 0.5942006 12 Ag 0.4964451 -0.1590541 -0.2002459 -0.4761611 0.4765471 -0.1035667 -0.2856813 -0.2490121 0.5942006 13 As 1.3655985 0.7599642 0.1483561 0.9495092 2.8193830 -0.4667319 -0.0045600 -0.4139475 2.0949843 14 As 1.3655985 -0.7599642 0.1483561 -0.9495092 2.8193830 0.4667319 -0.0045600 0.4139475 2.0949843 15 As 1.3655985 0.7599642 0.1483561 0.9495092 2.8193830 -0.4667319 -0.0045600 -0.4139475 2.0949843 16 As 1.3655985 -0.7599642 0.1483561 -0.9495092 2.8193830 0.4667319 -0.0045600 0.4139475 2.0949843 17 S -0.8162016 -0.1343215 0.1413255 -0.3071691 -1.4096990 -0.4151170 0.0558362 -0.3588871 -2.2449426 18 S -0.8162016 0.1343215 0.1413255 0.3071691 -1.4096990 0.4151170 0.0558362 0.3588871 -2.2449426 19 S -0.8162016 -0.1343215 0.1413255 -0.3071691 -1.4096990 -0.4151170 0.0558362 -0.3588871 -2.2449426 20 S -0.8162016 0.1343215 0.1413255 0.3071691 -1.4096990 0.4151170 0.0558362 0.3588871 -2.2449426 21 S -2.2522373 0.5908906 -0.1355380 0.8431245 -1.7705075 -0.0827158 0.1792071 -0.2583246 -0.9745765 22 S -2.2522373 -0.5908906 -0.1355380 -0.8431245 -1.7705075 0.0827158 0.1792071 0.2583246 -0.9745765 23 S -2.2522373 0.5908906 -0.1355380 0.8431245 -1.7705075 -0.0827158 0.1792071 -0.2583246 -0.9745765 24 S -2.2522373 -0.5908906 -0.1355380 -0.8431245 -1.7705075 0.0827158 0.1792071 0.2583246 -0.9745765 25 S -1.0956840 0.0405979 0.0037615 0.3778186 -2.3306632 0.5453970 -0.0739374 0.6181108 -1.5885992 26 S -1.0956840 -0.0405979 0.0037615 -0.3778186 -2.3306632 -0.5453970 -0.0739374 -0.6181108 -1.5885992 27 S -1.0956840 0.0405979 0.0037615 0.3778186 -2.3306632 0.5453970 -0.0739374 0.6181108 -1.5885992 28 S -1.0956840 -0.0405979 0.0037615 -0.3778186 -2.3306632 -0.5453970 -0.0739374 -0.6181108 -1.5885992 ---------------------------------------------------------------------------- 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) 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 2026-01-09 04:19:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:19:09]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.884706880233759 0.000000000000000 0.000000000000000 b 0.000000000000000 8.235968840000000 0.000000000000000 c -2.596071724246753 0.000000000000000 8.755746944146278 Atomic positions (fractional): 1 Cs 0.08153384307350 0.06829357468989 0.75034983506858 132.905 2 Cs 0.91846615692650 0.56829357468989 0.74965016493142 132.905 3 Cs 0.91846615692650 0.93170642531011 0.24965016493142 132.905 4 Cs 0.08153384307350 0.43170642531011 0.25034983506858 132.905 5 Ag 0.44602339973331 0.23817262777007 0.06600714919330 107.868 6 Ag 0.55397660026669 0.73817262777007 0.43399285080670 107.868 7 Ag 0.55397660026669 0.76182737222993 0.93399285080670 107.868 8 Ag 0.44602339973331 0.26182737222993 0.56600714919330 107.868 9 Ag 0.67308769309503 0.02404968119595 0.78553526857070 107.868 10 Ag 0.32691230690497 0.52404968119595 0.71446473142930 107.868 11 Ag 0.32691230690497 0.97595031880405 0.21446473142930 107.868 12 Ag 0.67308769309503 0.47595031880405 0.28553526857070 107.868 13 As 0.34751272347321 0.86363772704136 0.55379054475362 74.922 14 As 0.65248727652679 0.36363772704136 0.94620945524638 74.922 15 As 0.65248727652679 0.13636227295864 0.44620945524638 74.922 16 As 0.34751272347321 0.63636227295864 0.05379054475362 74.922 17 S 0.42946865478928 0.98758412342480 0.79106651024833 32.065 18 S 0.57053134521072 0.48758412342480 0.70893348975167 32.065 19 S 0.57053134521072 0.01241587657520 0.20893348975167 32.065 20 S 0.42946865478928 0.51241587657520 0.29106651024833 32.065 21 S 0.84109050379629 0.21921842933650 0.93921387491872 32.065 22 S 0.15890949620371 0.71921842933650 0.56078612508128 32.065 23 S 0.15890949620371 0.78078157066350 0.06078612508128 32.065 24 S 0.84109050379629 0.28078157066350 0.43921387491872 32.065 25 S 0.24823650053166 0.09663586388289 0.43101036303885 32.065 26 S 0.75176349946834 0.59663586388289 0.06898963696115 32.065 27 S 0.75176349946834 0.90336413611711 0.56898963696115 32.065 28 S 0.24823650053166 0.40336413611711 0.93101036303885 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.884706880233759 0.000000000000000 0.000000000000000 b 0.000000000000000 16.471937680000000 0.000000000000000 c -5.192143448493506 0.000000000000000 17.511493888292556 Atomic positions (fractional): 1 Cs 0.08153384307350 0.03414678734495 0.37517491753429 132.905 > 1 2 Cs 0.08153384307350 0.53414678734495 0.37517491753429 132.905 > 1 3 Cs 0.08153384307350 0.03414678734495 0.87517491753429 132.905 > 1 4 Cs 0.08153384307350 0.53414678734495 0.87517491753429 132.905 > 1 5 Cs 0.91846615692650 0.28414678734495 0.37482508246571 132.905 > 5 6 Cs 0.91846615692650 0.78414678734495 0.37482508246571 132.905 > 5 7 Cs 0.91846615692650 0.28414678734495 0.87482508246571 132.905 > 5 8 Cs 0.91846615692650 0.78414678734495 0.87482508246571 132.905 > 5 9 Cs 0.91846615692650 0.46585321265505 0.12482508246571 132.905 > 9 10 Cs 0.91846615692650 0.96585321265505 0.12482508246571 132.905 > 9 11 Cs 0.91846615692650 0.46585321265505 0.62482508246571 132.905 > 9 12 Cs 0.91846615692650 0.96585321265505 0.62482508246571 132.905 > 9 13 Cs 0.08153384307350 0.21585321265505 0.12517491753429 132.905 > 13 14 Cs 0.08153384307350 0.71585321265505 0.12517491753429 132.905 > 13 15 Cs 0.08153384307350 0.21585321265505 0.62517491753429 132.905 > 13 16 Cs 0.08153384307350 0.71585321265505 0.62517491753429 132.905 > 13 17 Ag 0.44602339973331 0.11908631388504 0.03300357459665 107.868 > 17 18 Ag 0.44602339973331 0.61908631388504 0.03300357459665 107.868 > 17 19 Ag 0.44602339973331 0.11908631388504 0.53300357459665 107.868 > 17 20 Ag 0.44602339973331 0.61908631388504 0.53300357459665 107.868 > 17 21 Ag 0.55397660026669 0.36908631388504 0.21699642540335 107.868 > 21 22 Ag 0.55397660026669 0.86908631388504 0.21699642540335 107.868 > 21 23 Ag 0.55397660026669 0.36908631388504 0.71699642540335 107.868 > 21 24 Ag 0.55397660026669 0.86908631388504 0.71699642540335 107.868 > 21 25 Ag 0.55397660026669 0.38091368611496 0.46699642540335 107.868 > 25 26 Ag 0.55397660026669 0.88091368611496 0.46699642540335 107.868 > 25 27 Ag 0.55397660026669 0.38091368611496 0.96699642540335 107.868 > 25 28 Ag 0.55397660026669 0.88091368611496 0.96699642540335 107.868 > 25 29 Ag 0.44602339973331 0.13091368611496 0.28300357459665 107.868 > 29 30 Ag 0.44602339973331 0.63091368611496 0.28300357459665 107.868 > 29 31 Ag 0.44602339973331 0.13091368611496 0.78300357459665 107.868 > 29 32 Ag 0.44602339973331 0.63091368611496 0.78300357459665 107.868 > 29 33 Ag 0.67308769309503 0.01202484059798 0.39276763428535 107.868 > 33 34 Ag 0.67308769309503 0.51202484059798 0.39276763428535 107.868 > 33 35 Ag 0.67308769309503 0.01202484059798 0.89276763428535 107.868 > 33 36 Ag 0.67308769309503 0.51202484059798 0.89276763428535 107.868 > 33 37 Ag 0.32691230690497 0.26202484059798 0.35723236571465 107.868 > 37 38 Ag 0.32691230690497 0.76202484059798 0.35723236571465 107.868 > 37 39 Ag 0.32691230690497 0.26202484059798 0.85723236571465 107.868 > 37 40 Ag 0.32691230690497 0.76202484059798 0.85723236571465 107.868 > 37 41 Ag 0.32691230690497 0.48797515940202 0.10723236571465 107.868 > 41 42 Ag 0.32691230690497 0.98797515940202 0.10723236571465 107.868 > 41 43 Ag 0.32691230690497 0.48797515940202 0.60723236571465 107.868 > 41 44 Ag 0.32691230690497 0.98797515940202 0.60723236571465 107.868 > 41 45 Ag 0.67308769309503 0.23797515940202 0.14276763428535 107.868 > 45 46 Ag 0.67308769309503 0.73797515940202 0.14276763428535 107.868 > 45 47 Ag 0.67308769309503 0.23797515940202 0.64276763428535 107.868 > 45 48 Ag 0.67308769309503 0.73797515940202 0.64276763428535 107.868 > 45 49 As 0.34751272347321 0.43181886352068 0.27689527237681 74.922 > 49 50 As 0.34751272347321 0.93181886352068 0.27689527237681 74.922 > 49 51 As 0.34751272347321 0.43181886352068 0.77689527237681 74.922 > 49 52 As 0.34751272347321 0.93181886352068 0.77689527237681 74.922 > 49 53 As 0.65248727652679 0.18181886352068 0.47310472762319 74.922 > 53 54 As 0.65248727652679 0.68181886352068 0.47310472762319 74.922 > 53 55 As 0.65248727652679 0.18181886352068 0.97310472762319 74.922 > 53 56 As 0.65248727652679 0.68181886352068 0.97310472762319 74.922 > 53 57 As 0.65248727652679 0.06818113647932 0.22310472762319 74.922 > 57 58 As 0.65248727652679 0.56818113647932 0.22310472762319 74.922 > 57 59 As 0.65248727652679 0.06818113647932 0.72310472762319 74.922 > 57 60 As 0.65248727652679 0.56818113647932 0.72310472762319 74.922 > 57 61 As 0.34751272347321 0.31818113647932 0.02689527237681 74.922 > 61 62 As 0.34751272347321 0.81818113647932 0.02689527237681 74.922 > 61 63 As 0.34751272347321 0.31818113647932 0.52689527237681 74.922 > 61 64 As 0.34751272347321 0.81818113647932 0.52689527237681 74.922 > 61 65 S 0.42946865478928 0.49379206171240 0.39553325512416 32.065 > 65 66 S 0.42946865478928 0.99379206171240 0.39553325512416 32.065 > 65 67 S 0.42946865478928 0.49379206171240 0.89553325512417 32.065 > 65 68 S 0.42946865478928 0.99379206171240 0.89553325512417 32.065 > 65 69 S 0.57053134521072 0.24379206171240 0.35446674487584 32.065 > 69 70 S 0.57053134521072 0.74379206171240 0.35446674487584 32.065 > 69 71 S 0.57053134521072 0.24379206171240 0.85446674487583 32.065 > 69 72 S 0.57053134521072 0.74379206171240 0.85446674487583 32.065 > 69 73 S 0.57053134521072 0.00620793828760 0.10446674487584 32.065 > 73 74 S 0.57053134521072 0.50620793828760 0.10446674487584 32.065 > 73 75 S 0.57053134521072 0.00620793828760 0.60446674487583 32.065 > 73 76 S 0.57053134521072 0.50620793828760 0.60446674487583 32.065 > 73 77 S 0.42946865478928 0.25620793828760 0.14553325512417 32.065 > 77 78 S 0.42946865478928 0.75620793828760 0.14553325512417 32.065 > 77 79 S 0.42946865478928 0.25620793828760 0.64553325512417 32.065 > 77 80 S 0.42946865478928 0.75620793828760 0.64553325512417 32.065 > 77 81 S 0.84109050379629 0.10960921466825 0.46960693745936 32.065 > 81 82 S 0.84109050379629 0.60960921466825 0.46960693745936 32.065 > 81 83 S 0.84109050379629 0.10960921466825 0.96960693745936 32.065 > 81 84 S 0.84109050379629 0.60960921466825 0.96960693745936 32.065 > 81 85 S 0.15890949620371 0.35960921466825 0.28039306254064 32.065 > 85 86 S 0.15890949620371 0.85960921466825 0.28039306254064 32.065 > 85 87 S 0.15890949620371 0.35960921466825 0.78039306254064 32.065 > 85 88 S 0.15890949620371 0.85960921466825 0.78039306254064 32.065 > 85 89 S 0.15890949620371 0.39039078533175 0.03039306254064 32.065 > 89 90 S 0.15890949620371 0.89039078533175 0.03039306254064 32.065 > 89 91 S 0.15890949620371 0.39039078533175 0.53039306254064 32.065 > 89 92 S 0.15890949620371 0.89039078533175 0.53039306254064 32.065 > 89 93 S 0.84109050379629 0.14039078533175 0.21960693745936 32.065 > 93 94 S 0.84109050379629 0.64039078533175 0.21960693745936 32.065 > 93 95 S 0.84109050379629 0.14039078533175 0.71960693745936 32.065 > 93 96 S 0.84109050379629 0.64039078533175 0.71960693745936 32.065 > 93 97 S 0.24823650053166 0.04831793194144 0.21550518151943 32.065 > 97 98 S 0.24823650053166 0.54831793194144 0.21550518151943 32.065 > 97 99 S 0.24823650053166 0.04831793194144 0.71550518151943 32.065 > 97 100 S 0.24823650053166 0.54831793194144 0.71550518151943 32.065 > 97 101 S 0.75176349946834 0.29831793194144 0.03449481848057 32.065 > 101 102 S 0.75176349946834 0.79831793194144 0.03449481848057 32.065 > 101 103 S 0.75176349946834 0.29831793194144 0.53449481848057 32.065 > 101 104 S 0.75176349946834 0.79831793194144 0.53449481848057 32.065 > 101 105 S 0.75176349946834 0.45168206805856 0.28449481848057 32.065 > 105 106 S 0.75176349946834 0.95168206805856 0.28449481848057 32.065 > 105 107 S 0.75176349946834 0.45168206805856 0.78449481848057 32.065 > 105 108 S 0.75176349946834 0.95168206805856 0.78449481848057 32.065 > 105 109 S 0.24823650053166 0.20168206805856 0.46550518151943 32.065 > 109 110 S 0.24823650053166 0.70168206805856 0.46550518151943 32.065 > 109 111 S 0.24823650053166 0.20168206805856 0.96550518151943 32.065 > 109 112 S 0.24823650053166 0.70168206805856 0.96550518151943 32.065 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.2620957 0.0000000 -0.4074803 0.0000000 7.3004497 0.0000000 -0.4074736 0.0000000 6.8756742 -------------------------- Born effective charges -------------------------- 1 Cs 1.9770502 -0.2844414 0.2086125 -0.1895217 1.2632847 0.1318504 0.2257186 0.0615138 1.3088695 2 Cs 1.9770502 0.2844414 0.2086125 0.1895217 1.2632847 -0.1318504 0.2257186 -0.0615138 1.3088695 3 Cs 1.9770502 -0.2844414 0.2086125 -0.1895217 1.2632847 0.1318504 0.2257186 0.0615138 1.3088695 4 Cs 1.9770502 0.2844414 0.2086125 0.1895217 1.2632847 -0.1318504 0.2257186 -0.0615138 1.3088695 5 Ag 0.3250292 -0.1561011 -0.1662716 -0.3243324 0.9516550 0.1969591 -0.0965832 -0.0788950 0.8100639 6 Ag 0.3250292 0.1561011 -0.1662716 0.3243324 0.9516550 -0.1969591 -0.0965832 0.0788950 0.8100639 7 Ag 0.3250292 -0.1561011 -0.1662716 -0.3243324 0.9516550 0.1969591 -0.0965832 -0.0788950 0.8100639 8 Ag 0.3250292 0.1561011 -0.1662716 0.3243324 0.9516550 -0.1969591 -0.0965832 0.0788950 0.8100639 9 Ag 0.4964451 0.1590541 -0.2002459 0.4761611 0.4765471 0.1035667 -0.2856813 0.2490121 0.5942006 10 Ag 0.4964451 -0.1590541 -0.2002459 -0.4761611 0.4765471 -0.1035667 -0.2856813 -0.2490121 0.5942006 11 Ag 0.4964451 0.1590541 -0.2002459 0.4761611 0.4765471 0.1035667 -0.2856813 0.2490121 0.5942006 12 Ag 0.4964451 -0.1590541 -0.2002459 -0.4761611 0.4765471 -0.1035667 -0.2856813 -0.2490121 0.5942006 13 As 1.3655985 0.7599642 0.1483561 0.9495092 2.8193830 -0.4667319 -0.0045600 -0.4139475 2.0949843 14 As 1.3655985 -0.7599642 0.1483561 -0.9495092 2.8193830 0.4667319 -0.0045600 0.4139475 2.0949843 15 As 1.3655985 0.7599642 0.1483561 0.9495092 2.8193830 -0.4667319 -0.0045600 -0.4139475 2.0949843 16 As 1.3655985 -0.7599642 0.1483561 -0.9495092 2.8193830 0.4667319 -0.0045600 0.4139475 2.0949843 17 S -0.8162016 -0.1343215 0.1413255 -0.3071691 -1.4096990 -0.4151170 0.0558362 -0.3588871 -2.2449426 18 S -0.8162016 0.1343215 0.1413255 0.3071691 -1.4096990 0.4151170 0.0558362 0.3588871 -2.2449426 19 S -0.8162016 -0.1343215 0.1413255 -0.3071691 -1.4096990 -0.4151170 0.0558362 -0.3588871 -2.2449426 20 S -0.8162016 0.1343215 0.1413255 0.3071691 -1.4096990 0.4151170 0.0558362 0.3588871 -2.2449426 21 S -2.2522373 0.5908906 -0.1355380 0.8431245 -1.7705075 -0.0827158 0.1792071 -0.2583246 -0.9745765 22 S -2.2522373 -0.5908906 -0.1355380 -0.8431245 -1.7705075 0.0827158 0.1792071 0.2583246 -0.9745765 23 S -2.2522373 0.5908906 -0.1355380 0.8431245 -1.7705075 -0.0827158 0.1792071 -0.2583246 -0.9745765 24 S -2.2522373 -0.5908906 -0.1355380 -0.8431245 -1.7705075 0.0827158 0.1792071 0.2583246 -0.9745765 25 S -1.0956840 0.0405979 0.0037615 0.3778186 -2.3306632 0.5453970 -0.0739374 0.6181108 -1.5885992 26 S -1.0956840 -0.0405979 0.0037615 -0.3778186 -2.3306632 -0.5453970 -0.0739374 -0.6181108 -1.5885992 27 S -1.0956840 0.0405979 0.0037615 0.3778186 -2.3306632 0.5453970 -0.0739374 0.6181108 -1.5885992 28 S -1.0956840 -0.0405979 0.0037615 -0.3778186 -2.3306632 -0.5453970 -0.0739374 -0.6181108 -1.5885992 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) 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 ... [ 5 6 6 ] 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: 0.46, Number of G-points: 303, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/64) ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.885 ( 0.000 0.000 0.000) 0.000 1.033 ( 0.000 0.000 0.000) 0.000 1.042 ( 0.000 0.000 0.000) 0.000 1.069 ( 0.000 0.000 0.000) 0.000 1.173 ( 0.000 0.000 0.000) 0.000 1.198 ( 0.000 0.000 0.000) 0.000 1.210 ( 0.000 0.000 0.000) 0.000 1.224 ( 0.000 0.000 0.000) 0.000 1.364 ( 0.000 0.000 0.000) 0.000 1.425 ( 0.000 0.000 0.000) 0.000 1.480 ( 0.000 0.000 0.000) 0.000 1.502 ( 0.000 0.000 0.000) 0.000 1.532 ( 0.000 0.000 0.000) 0.000 1.538 ( 0.000 0.000 0.000) 0.000 1.593 ( 0.000 0.000 0.000) 0.000 1.602 ( 0.000 0.000 0.000) 0.000 1.612 ( 0.000 0.000 0.000) 0.000 1.753 ( 0.000 0.000 0.000) 0.000 1.753 ( 0.000 0.000 0.000) 0.000 1.765 ( 0.000 0.000 0.000) 0.000 1.795 ( 0.000 0.000 0.000) 0.000 1.887 ( 0.000 0.000 0.000) 0.000 1.887 ( 0.000 0.000 0.000) 0.000 1.905 ( 0.000 0.000 0.000) 0.000 1.964 ( 0.000 0.000 0.000) 0.000 2.060 ( 0.000 0.000 0.000) 0.000 2.128 ( 0.000 0.000 0.000) 0.000 2.162 ( 0.000 0.000 0.000) 0.000 2.182 ( 0.000 0.000 0.000) 0.000 2.362 ( 0.000 0.000 0.000) 0.000 2.419 ( 0.000 0.000 0.000) 0.000 2.449 ( 0.000 0.000 0.000) 0.000 2.729 ( 0.000 0.000 0.000) 0.000 2.783 ( 0.000 0.000 0.000) 0.000 2.805 ( 0.000 0.000 0.000) 0.000 2.826 ( 0.000 0.000 0.000) 0.000 2.850 ( 0.000 0.000 0.000) 0.000 2.887 ( 0.000 0.000 0.000) 0.000 3.051 ( 0.000 0.000 0.000) 0.000 3.163 ( 0.000 0.000 0.000) 0.000 3.199 ( 0.000 0.000 0.000) 0.000 3.365 ( 0.000 0.000 0.000) 0.000 3.469 ( 0.000 0.000 0.000) 0.000 3.581 ( 0.000 0.000 0.000) 0.000 3.681 ( 0.000 0.000 0.000) 0.000 4.378 ( 0.000 0.000 0.000) 0.000 4.419 ( 0.000 0.000 0.000) 0.000 4.457 ( 0.000 0.000 0.000) 0.000 4.729 ( 0.000 0.000 0.000) 0.000 5.882 ( 0.000 0.000 0.000) 0.000 5.973 ( 0.000 0.000 0.000) 0.000 5.976 ( 0.000 0.000 0.000) 0.000 6.207 ( 0.000 0.000 0.000) 0.000 6.299 ( 0.000 0.000 0.000) 0.000 6.314 ( 0.000 0.000 0.000) 0.000 7.119 ( 0.000 0.000 0.000) 0.000 7.178 ( 0.000 0.000 0.000) 0.000 7.287 ( 0.000 0.000 0.000) 0.000 7.354 ( 0.000 0.000 0.000) 0.000 7.421 ( 0.000 0.000 0.000) 0.000 7.440 ( 0.000 0.000 0.000) 0.000 8.044 ( 0.000 0.000 0.000) 0.000 8.108 ( 0.000 0.000 0.000) 0.000 8.432 ( 0.000 0.000 0.000) 0.000 8.464 ( 0.000 0.000 0.000) 0.000 8.752 ( 0.000 0.000 0.000) 0.000 8.848 ( 0.000 0.000 0.000) 0.000 8.882 ( 0.000 0.000 0.000) 0.000 8.920 ( 0.000 0.000 0.000) 0.000 9.048 ( 0.000 0.000 0.000) 0.000 9.159 ( 0.000 0.000 0.000) 0.000 9.257 ( 0.000 0.000 0.000) 0.000 9.288 ( 0.000 0.000 0.000) 0.000 9.663 ( 0.000 0.000 0.000) 0.000 9.677 ( 0.000 0.000 0.000) 0.000 9.684 ( 0.000 0.000 0.000) 0.000 9.857 ( 0.000 0.000 0.000) 0.000 10.743 ( 0.000 0.000 0.000) 0.000 10.769 ( 0.000 0.000 0.000) 0.000 10.858 ( 0.000 0.000 0.000) 0.000 11.032 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/64) ======================= q-point: ( 0.20 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.258 ( 11.146 0.000 3.494) 11.681 0.375 ( 16.004 0.000 6.794) 17.387 0.669 ( 27.193 0.000 8.879) 28.606 0.902 ( 1.640 0.000 0.452) 1.701 1.024 ( -0.484 0.000 0.159) 0.509 1.059 ( 0.023 0.000 1.671) 1.671 1.077 ( 0.395 0.000 0.804) 0.896 1.129 ( -5.207 0.000 -2.458) 5.758 1.161 ( -0.778 0.000 -1.492) 1.683 1.222 ( 1.214 0.000 0.562) 1.337 1.228 ( 0.711 0.000 -1.842) 1.974 1.381 ( 0.898 0.000 2.036) 2.225 1.438 ( -0.718 0.000 -1.692) 1.838 1.475 ( 2.776 0.000 4.631) 5.399 1.533 ( -0.202 0.000 2.814) 2.822 1.543 ( 0.273 0.000 0.531) 0.597 1.550 ( 0.977 0.000 -1.015) 1.409 1.592 ( 1.109 0.000 -1.905) 2.204 1.617 ( 0.769 0.000 -1.465) 1.655 1.622 ( 1.633 0.000 0.369) 1.675 1.717 ( -1.459 0.000 0.813) 1.671 1.749 ( -0.942 0.000 -1.889) 2.111 1.772 ( 0.084 0.000 0.186) 0.204 1.813 ( 1.336 0.000 0.422) 1.401 1.860 ( -1.795 0.000 0.655) 1.911 1.896 ( 0.330 0.000 0.504) 0.602 1.920 ( 1.297 0.000 -2.033) 2.412 1.966 ( 0.528 0.000 -1.493) 1.583 2.059 ( -0.335 0.000 0.974) 1.030 2.155 ( -0.532 0.000 -0.254) 0.589 2.167 ( -1.038 0.000 -0.930) 1.394 2.191 ( -1.873 0.000 3.456) 3.931 2.247 ( -5.689 0.000 -5.842) 8.154 2.481 ( 2.063 0.000 2.890) 3.550 2.544 ( -6.791 0.000 3.036) 7.439 2.710 ( -1.531 0.000 0.222) 1.547 2.764 ( -1.195 0.000 1.530) 1.942 2.773 ( -2.560 0.000 -1.073) 2.776 2.876 ( -0.882 0.000 1.263) 1.541 2.888 ( -2.197 0.000 -6.385) 6.752 2.899 ( 3.445 0.000 -0.145) 3.448 2.994 ( -2.702 0.000 -2.362) 3.589 3.212 ( 0.647 0.000 -1.057) 1.239 3.242 ( 5.179 0.000 -2.705) 5.843 3.372 ( 0.128 0.000 -2.853) 2.856 3.492 ( 1.413 0.000 1.708) 2.216 3.583 ( 0.914 0.000 0.535) 1.059 3.694 ( 0.326 0.000 0.922) 0.977 4.366 ( -2.272 0.000 -0.267) 2.288 4.451 ( -0.373 0.000 -0.470) 0.600 4.457 ( 1.926 0.000 -0.741) 2.064 4.721 ( -0.796 0.000 0.161) 0.812 5.881 ( 0.060 0.000 -0.499) 0.503 5.973 ( 0.019 0.000 0.392) 0.393 5.993 ( 1.725 0.000 -3.384) 3.798 6.207 ( -0.141 0.000 0.400) 0.424 6.293 ( -0.511 0.000 0.163) 0.536 6.315 ( 0.082 0.000 0.239) 0.252 7.123 ( 0.348 0.000 -0.052) 0.352 7.198 ( 0.517 0.000 -1.534) 1.618 7.273 ( -0.856 0.000 -0.906) 1.247 7.363 ( 0.439 0.000 0.702) 0.828 7.441 ( 0.036 0.000 0.040) 0.054 7.459 ( -0.523 0.000 1.023) 1.149 8.056 ( 0.885 0.000 0.510) 1.021 8.115 ( 0.472 0.000 0.445) 0.648 8.426 ( -0.795 0.000 -1.096) 1.354 8.455 ( -0.586 0.000 -0.549) 0.803 8.762 ( -0.791 0.000 3.429) 3.519 8.844 ( -0.187 0.000 -0.392) 0.434 8.880 ( -0.040 0.000 -0.528) 0.529 9.015 ( -3.435 0.000 11.470) 11.973 9.046 ( -0.086 0.000 -0.073) 0.113 9.163 ( 0.249 0.000 0.319) 0.404 9.261 ( 0.266 0.000 0.448) 0.520 9.288 ( -0.114 0.000 0.303) 0.324 9.665 ( 0.294 0.000 -0.484) 0.566 9.683 ( -0.610 0.000 1.337) 1.470 9.684 ( 0.666 0.000 0.005) 0.666 9.847 ( -0.847 0.000 0.015) 0.847 10.755 ( 1.162 0.000 -0.141) 1.171 10.850 ( -0.773 0.000 -0.074) 0.777 11.045 ( 1.042 0.000 0.278) 1.078 11.165 ( 1.630 0.000 -8.765) 8.915 ======================= Grid point 2 (3/64) ======================= q-point: ( 0.40 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( 6.539 0.000 2.021) 6.845 0.711 ( 12.528 0.000 5.619) 13.731 0.887 ( -1.225 0.000 -0.521) 1.331 0.975 ( 0.620 0.000 -0.864) 1.063 0.997 ( -6.516 0.000 -2.504) 6.981 1.006 ( -3.146 0.000 0.577) 3.199 1.087 ( 0.156 0.000 0.496) 0.520 1.139 ( -0.312 0.000 -0.702) 0.768 1.219 ( 5.697 0.000 1.541) 5.902 1.227 ( 0.138 0.000 -0.937) 0.947 1.288 ( 10.789 0.000 3.229) 11.262 1.408 ( 0.499 0.000 1.167) 1.269 1.452 ( 2.434 0.000 -0.772) 2.553 1.507 ( -3.124 0.000 1.258) 3.368 1.529 ( 0.193 0.000 0.772) 0.795 1.561 ( 0.865 0.000 -0.078) 0.869 1.575 ( 0.969 0.000 4.847) 4.943 1.614 ( 1.161 0.000 -1.600) 1.976 1.630 ( 1.540 0.000 -1.965) 2.497 1.664 ( 1.888 0.000 0.405) 1.931 1.709 ( -1.631 0.000 -1.960) 2.550 1.722 ( 0.676 0.000 1.723) 1.851 1.772 ( 0.629 0.000 -0.086) 0.635 1.825 ( -2.179 0.000 0.313) 2.202 1.844 ( 1.543 0.000 -1.067) 1.876 1.882 ( -2.131 0.000 0.368) 2.162 1.928 ( 0.393 0.000 -1.100) 1.168 1.956 ( -0.660 0.000 -1.946) 2.055 2.061 ( -0.112 0.000 1.884) 1.887 2.106 ( -3.027 0.000 -3.930) 4.961 2.142 ( -0.538 0.000 -0.817) 0.979 2.154 ( -0.896 0.000 -0.298) 0.945 2.155 ( -2.296 0.000 1.034) 2.518 2.398 ( -5.087 0.000 -1.300) 5.251 2.523 ( 0.792 0.000 1.281) 1.506 2.684 ( -0.957 0.000 0.227) 0.984 2.722 ( -1.456 0.000 -0.557) 1.559 2.761 ( 0.003 0.000 0.732) 0.732 2.822 ( -1.306 0.000 -0.835) 1.550 2.878 ( -0.387 0.000 1.693) 1.737 2.948 ( -0.560 0.000 -2.016) 2.092 2.956 ( 1.656 0.000 0.183) 1.666 3.199 ( -0.658 0.000 -1.247) 1.410 3.306 ( 2.347 0.000 -1.382) 2.724 3.353 ( -0.848 0.000 -0.469) 0.969 3.527 ( 0.815 0.000 0.937) 1.242 3.632 ( 2.727 0.000 1.205) 2.981 3.687 ( -1.463 0.000 -0.060) 1.464 4.329 ( -1.082 0.000 0.029) 1.082 4.442 ( -0.226 0.000 -0.299) 0.375 4.482 ( 0.689 0.000 -0.098) 0.696 4.706 ( -0.507 0.000 0.101) 0.517 5.879 ( 0.051 0.000 -0.308) 0.312 5.977 ( 0.070 0.000 0.307) 0.315 6.005 ( 0.650 0.000 -0.989) 1.183 6.205 ( -0.202 0.000 0.219) 0.298 6.286 ( -0.203 0.000 0.133) 0.242 6.318 ( 0.054 0.000 0.149) 0.159 7.129 ( 0.213 0.000 -0.032) 0.215 7.200 ( 0.167 0.000 -0.401) 0.434 7.254 ( -0.424 0.000 -0.439) 0.610 7.373 ( 0.157 0.000 0.308) 0.345 7.442 ( 0.047 0.000 0.053) 0.070 7.454 ( -0.222 0.000 0.150) 0.268 8.077 ( 0.588 0.000 0.351) 0.685 8.127 ( 0.333 0.000 0.318) 0.461 8.404 ( -0.546 0.000 -0.656) 0.853 8.441 ( -0.403 0.000 -0.371) 0.548 8.766 ( -0.170 0.000 1.072) 1.085 8.839 ( -0.101 0.000 -0.240) 0.260 8.876 ( -0.026 0.000 -0.353) 0.354 9.014 ( -0.827 0.000 2.732) 2.854 9.044 ( -0.066 0.000 -0.055) 0.086 9.169 ( 0.147 0.000 0.190) 0.240 9.270 ( 0.277 0.000 0.414) 0.499 9.286 ( -0.187 0.000 0.053) 0.194 9.668 ( 0.381 0.000 -0.644) 0.748 9.678 ( -0.495 0.000 0.893) 1.021 9.699 ( 0.549 0.000 0.017) 0.549 9.830 ( -0.657 0.000 -0.004) 0.658 10.782 ( 1.317 0.000 -0.103) 1.321 10.829 ( -1.076 0.000 -0.029) 1.077 11.071 ( 1.002 0.000 0.507) 1.123 11.141 ( -0.304 0.000 -2.536) 2.554 ======================= Grid point 5 (4/64) ======================= q-point: ( 0.00 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.289 ( 0.000 14.035 0.000) 14.035 0.392 ( 0.000 19.055 0.000) 19.055 0.551 ( 0.000 25.519 0.000) 25.519 0.900 ( 0.000 1.366 0.000) 1.366 1.029 ( 0.000 0.602 0.000) 0.602 1.067 ( 0.000 1.990 0.000) 1.990 1.112 ( 0.000 3.069 0.000) 3.069 1.129 ( 0.000 -3.743 0.000) 3.743 1.177 ( 0.000 -0.837 0.000) 0.837 1.238 ( 0.000 2.771 0.000) 2.771 1.267 ( 0.000 1.408 0.000) 1.408 1.364 ( 0.000 -0.199 0.000) 0.199 1.397 ( 0.000 -4.813 0.000) 4.813 1.464 ( 0.000 1.174 0.000) 1.174 1.488 ( 0.000 -1.426 0.000) 1.426 1.513 ( 0.000 -1.286 0.000) 1.286 1.544 ( 0.000 -2.506 0.000) 2.506 1.545 ( 0.000 -0.421 0.000) 0.421 1.627 ( 0.000 0.374 0.000) 0.374 1.667 ( 0.000 3.358 0.000) 3.358 1.691 ( 0.000 -2.944 0.000) 2.944 1.745 ( 0.000 -0.676 0.000) 0.676 1.791 ( 0.000 -0.502 0.000) 0.502 1.810 ( 0.000 1.453 0.000) 1.453 1.881 ( 0.000 -0.440 0.000) 0.440 1.910 ( 0.000 0.382 0.000) 0.382 1.934 ( 0.000 -0.842 0.000) 0.842 1.978 ( 0.000 0.205 0.000) 0.205 2.063 ( 0.000 -4.238 0.000) 4.238 2.113 ( 0.000 2.405 0.000) 2.405 2.172 ( 0.000 -0.071 0.000) 0.071 2.211 ( 0.000 2.120 0.000) 2.120 2.359 ( 0.000 -1.147 0.000) 1.147 2.452 ( 0.000 -0.412 0.000) 0.412 2.459 ( 0.000 1.183 0.000) 1.183 2.689 ( 0.000 -3.319 0.000) 3.319 2.745 ( 0.000 -3.540 0.000) 3.540 2.779 ( 0.000 -2.882 0.000) 2.882 2.796 ( 0.000 -1.315 0.000) 1.315 2.889 ( 0.000 -0.009 0.000) 0.009 2.894 ( 0.000 2.908 0.000) 2.908 3.062 ( 0.000 1.083 0.000) 1.083 3.107 ( 0.000 -4.151 0.000) 4.151 3.240 ( 0.000 0.005 0.000) 0.005 3.392 ( 0.000 2.278 0.000) 2.278 3.468 ( 0.000 -0.046 0.000) 0.046 3.597 ( 0.000 0.245 0.000) 0.245 3.665 ( 0.000 -1.500 0.000) 1.500 4.388 ( 0.000 0.923 0.000) 0.923 4.427 ( 0.000 0.448 0.000) 0.448 4.473 ( 0.000 1.134 0.000) 1.134 4.709 ( 0.000 -1.958 0.000) 1.958 5.881 ( 0.000 -0.033 0.000) 0.033 5.961 ( 0.000 -1.222 0.000) 1.222 5.988 ( 0.000 1.116 0.000) 1.116 6.163 ( 0.000 -3.609 0.000) 3.609 6.323 ( 0.000 6.034 0.000) 6.034 6.470 ( 0.000 9.860 0.000) 9.860 7.111 ( 0.000 -3.273 0.000) 3.273 7.138 ( 0.000 -2.198 0.000) 2.198 7.258 ( 0.000 -2.015 0.000) 2.015 7.425 ( 0.000 0.428 0.000) 0.428 7.438 ( 0.000 -0.572 0.000) 0.572 7.474 ( 0.000 -1.149 0.000) 1.149 8.038 ( 0.000 0.201 0.000) 0.201 8.160 ( 0.000 4.145 0.000) 4.145 8.372 ( 0.000 -4.753 0.000) 4.753 8.466 ( 0.000 -0.666 0.000) 0.666 8.761 ( 0.000 0.708 0.000) 0.708 8.833 ( 0.000 -1.135 0.000) 1.135 8.902 ( 0.000 1.466 0.000) 1.466 8.944 ( 0.000 2.255 0.000) 2.255 9.060 ( 0.000 0.951 0.000) 0.951 9.154 ( 0.000 -0.557 0.000) 0.557 9.237 ( 0.000 -3.869 0.000) 3.869 9.321 ( 0.000 -1.472 0.000) 1.472 9.636 ( 0.000 -0.486 0.000) 0.486 9.659 ( 0.000 -0.384 0.000) 0.384 9.815 ( 0.000 8.162 0.000) 8.162 10.316 ( 0.000 -1.809 0.000) 1.809 10.786 ( 0.000 1.637 0.000) 1.637 10.861 ( 0.000 0.320 0.000) 0.320 10.899 ( 0.000 -0.341 0.000) 0.341 11.010 ( 0.000 -2.048 0.000) 2.048 ======================= Grid point 6 (5/64) ======================= q-point: ( 0.20 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.400 ( 7.384 11.848 -1.493) 14.040 0.472 ( 12.392 9.744 1.028) 15.798 0.837 ( 13.732 11.041 6.149) 18.662 0.916 ( 2.784 2.102 0.940) 3.613 1.037 ( 0.657 1.344 1.472) 2.098 1.063 ( -1.442 1.031 -0.793) 1.941 1.099 ( -1.225 0.765 -0.701) 1.605 1.141 ( 0.201 0.571 0.711) 0.933 1.183 ( 1.066 0.085 2.122) 2.376 1.197 ( -1.801 1.857 -0.974) 2.764 1.269 ( 0.877 2.422 -3.045) 3.988 1.379 ( 0.665 -0.443 1.805) 1.974 1.389 ( -0.277 -4.334 -0.719) 4.402 1.461 ( 0.338 -0.541 1.285) 1.435 1.499 ( 0.342 -2.231 2.160) 3.124 1.535 ( 1.232 -1.366 -1.845) 2.605 1.544 ( 0.956 -1.928 0.140) 2.156 1.562 ( 1.068 -0.791 -0.996) 1.660 1.626 ( 0.225 -0.303 -1.112) 1.174 1.672 ( 0.366 2.065 0.283) 2.116 1.700 ( 0.915 -0.917 -0.101) 1.300 1.746 ( -0.820 -0.348 -0.369) 0.965 1.765 ( -1.533 -0.171 -0.880) 1.776 1.818 ( 0.481 -0.588 -0.738) 1.059 1.868 ( -2.229 0.050 1.250) 2.556 1.891 ( -0.756 -0.178 0.376) 0.863 1.942 ( 0.918 0.743 -1.985) 2.310 1.959 ( -0.236 0.117 -1.471) 1.494 2.070 ( 0.176 -4.970 0.985) 5.070 2.105 ( -0.004 4.015 1.224) 4.197 2.163 ( -0.898 0.096 -0.010) 0.903 2.217 ( 0.301 3.635 0.741) 3.722 2.303 ( -3.866 2.332 -2.864) 5.347 2.426 ( 0.031 -1.713 0.667) 1.838 2.511 ( -0.048 -1.386 2.896) 3.211 2.680 ( -0.516 -2.492 -0.541) 2.602 2.738 ( -1.523 -2.581 1.824) 3.508 2.758 ( -1.889 -1.944 0.990) 2.885 2.817 ( 2.009 -1.737 -2.486) 3.638 2.876 ( -1.055 -0.192 0.856) 1.372 2.930 ( 0.869 0.014 -0.232) 0.900 3.000 ( -2.770 0.775 -2.038) 3.525 3.172 ( 3.578 -4.689 -1.452) 6.074 3.230 ( 0.484 -0.611 -1.365) 1.572 3.385 ( -0.611 1.749 -0.793) 2.015 3.484 ( 0.807 -0.736 1.079) 1.535 3.605 ( 1.043 1.109 0.670) 1.663 3.680 ( 0.551 -1.327 1.114) 1.818 4.366 ( -1.855 0.639 0.355) 1.994 4.438 ( 0.585 -0.439 -0.349) 0.810 4.474 ( 0.471 1.432 -0.378) 1.554 4.705 ( -0.636 -1.786 0.412) 1.940 5.880 ( 0.067 -0.032 -0.480) 0.486 5.962 ( -0.005 -1.229 0.347) 1.277 5.999 ( 1.153 0.828 -1.206) 1.863 6.158 ( -0.477 -3.342 0.135) 3.379 6.324 ( 0.061 5.929 0.225) 5.934 6.469 ( -0.150 9.961 0.166) 9.964 7.113 ( 0.068 -4.338 -0.051) 4.339 7.139 ( 0.167 -1.892 -0.293) 1.921 7.257 ( 0.109 -1.440 -0.816) 1.659 7.400 ( -1.160 1.219 -0.605) 1.789 7.442 ( 0.161 -0.023 0.218) 0.272 7.466 ( -0.561 -0.149 0.387) 0.698 8.044 ( 0.544 -0.057 0.301) 0.624 8.164 ( 0.368 3.969 0.460) 4.012 8.373 ( -0.307 -4.469 -0.399) 4.497 8.458 ( -0.543 -0.657 -0.564) 1.022 8.770 ( -0.167 0.542 2.787) 2.844 8.829 ( -0.166 -0.968 -0.582) 1.142 8.895 ( -0.446 1.313 -0.057) 1.388 8.965 ( 1.024 -0.087 0.965) 1.409 9.060 ( 0.007 1.070 -0.046) 1.071 9.157 ( 0.200 -0.544 0.406) 0.707 9.235 ( -0.244 -3.962 0.144) 3.972 9.301 ( -1.232 -0.082 -0.256) 1.261 9.647 ( 0.763 -0.325 0.494) 0.966 9.664 ( 0.750 0.561 -0.627) 1.127 9.813 ( -0.453 7.515 1.069) 7.605 10.075 ( -11.927 10.041 -0.852) 15.614 10.765 ( 0.469 1.055 -0.006) 1.155 10.851 ( -0.822 0.078 -0.105) 0.832 11.020 ( 1.398 -2.319 -0.554) 2.764 11.054 ( 5.624 -5.708 -1.928) 8.242 ======================= Grid point 7 (6/64) ======================= q-point: ( 0.40 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( 5.741 7.367 0.650) 9.362 0.757 ( 12.141 4.186 4.147) 13.495 0.892 ( -1.246 0.354 -0.519) 1.396 0.972 ( -4.481 -0.131 -2.288) 5.033 1.001 ( 0.267 2.226 -0.418) 2.281 1.042 ( -4.789 2.334 0.096) 5.329 1.092 ( 0.630 -1.184 -0.061) 1.342 1.132 ( -0.299 1.530 -0.520) 1.643 1.218 ( 1.967 -0.747 1.145) 2.395 1.251 ( -0.485 1.433 -1.556) 2.170 1.337 ( 8.720 3.333 3.554) 9.989 1.389 ( 0.646 -2.497 0.313) 2.598 1.415 ( 1.539 -2.750 1.548) 3.511 1.466 ( -1.245 -2.595 0.255) 2.890 1.520 ( -0.304 -4.007 2.168) 4.566 1.528 ( 0.758 -2.198 -2.614) 3.498 1.560 ( 0.449 -1.417 0.137) 1.493 1.587 ( 0.818 -0.860 -0.958) 1.525 1.636 ( 2.552 1.081 -1.111) 2.986 1.679 ( 0.242 0.888 -0.337) 0.980 1.706 ( -1.287 0.295 0.100) 1.324 1.712 ( -0.961 -3.077 -0.250) 3.233 1.747 ( -1.015 -0.017 0.471) 1.119 1.795 ( -1.054 -0.886 -1.260) 1.866 1.856 ( 1.032 0.049 0.545) 1.168 1.883 ( -0.964 0.217 1.604) 1.884 1.937 ( 0.295 0.379 -1.136) 1.233 1.959 ( 0.229 0.450 -1.404) 1.492 2.099 ( 2.309 -0.958 1.918) 3.151 2.115 ( -0.334 3.836 0.865) 3.947 2.150 ( 0.212 3.628 -0.234) 3.642 2.196 ( -4.526 4.204 -2.075) 6.516 2.231 ( -0.037 5.765 -0.202) 5.769 2.398 ( -2.097 0.747 -0.603) 2.306 2.519 ( 0.032 -1.008 1.239) 1.598 2.669 ( 0.076 -1.773 -0.341) 1.807 2.693 ( -2.380 -2.160 0.187) 3.220 2.751 ( 0.166 -1.169 0.977) 1.532 2.822 ( -0.123 -0.420 -0.998) 1.090 2.870 ( -0.540 0.240 1.099) 1.248 2.914 ( -0.574 -2.315 -1.008) 2.589 2.978 ( 0.399 0.548 -0.037) 0.679 3.170 ( -0.850 -3.094 -1.342) 3.478 3.272 ( 2.264 -3.257 -0.872) 4.061 3.363 ( -0.869 1.206 -0.325) 1.521 3.501 ( 0.298 -2.149 0.555) 2.240 3.647 ( 2.120 0.918 0.757) 2.431 3.683 ( -0.905 -0.478 0.311) 1.069 4.335 ( -0.982 0.830 0.132) 1.293 4.439 ( -0.072 -0.451 -0.194) 0.496 4.485 ( 0.468 0.816 -0.078) 0.944 4.692 ( -0.527 -1.483 0.170) 1.583 5.879 ( 0.052 -0.016 -0.288) 0.293 5.963 ( 0.030 -1.410 0.112) 1.414 6.012 ( 0.536 0.771 -0.438) 1.036 6.150 ( -0.273 -3.141 0.081) 3.154 6.327 ( 0.050 5.765 0.145) 5.767 6.467 ( -0.077 10.099 0.105) 10.099 7.111 ( -0.102 -6.077 -0.111) 6.079 7.141 ( 0.122 -0.847 -0.093) 0.861 7.254 ( 0.021 -0.402 -0.498) 0.640 7.387 ( -0.216 0.911 0.071) 0.939 7.447 ( 0.167 0.218 0.345) 0.440 7.458 ( -0.288 0.067 -0.176) 0.344 8.057 ( 0.415 -0.517 0.256) 0.711 8.176 ( 0.367 3.686 0.354) 3.722 8.358 ( -0.491 -3.706 -0.458) 3.766 8.444 ( -0.386 -0.619 -0.391) 0.828 8.781 ( -0.111 0.943 1.448) 1.731 8.823 ( -0.040 -1.016 -0.475) 1.123 8.887 ( -0.166 0.986 -0.165) 1.014 8.983 ( 0.293 -1.216 0.540) 1.362 9.059 ( -0.011 1.258 -0.044) 1.259 9.164 ( 0.142 -0.536 0.237) 0.604 9.231 ( -0.134 -4.185 0.109) 4.189 9.283 ( -0.366 0.139 -0.093) 0.403 9.662 ( 0.392 -0.043 0.240) 0.461 9.679 ( 0.697 2.328 -0.324) 2.452 9.813 ( -0.029 6.928 0.759) 6.970 9.921 ( -3.600 6.508 -0.371) 7.447 10.785 ( 1.132 0.321 -0.060) 1.178 10.829 ( -1.046 0.015 -0.039) 1.047 11.043 ( 0.819 -2.315 0.072) 2.457 11.099 ( 0.799 -3.399 -1.109) 3.664 ======================= Grid point 10 (7/64) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( 0.000 12.477 0.000) 12.477 0.757 ( 0.000 16.296 0.000) 16.296 0.885 ( 0.000 0.058 0.000) 0.058 1.000 ( 0.000 10.779 0.000) 10.779 1.051 ( 0.000 1.432 0.000) 1.432 1.066 ( 0.000 -1.066 0.000) 1.066 1.119 ( 0.000 2.249 0.000) 2.249 1.173 ( 0.000 1.771 0.000) 1.771 1.177 ( 0.000 4.021 0.000) 4.021 1.273 ( 0.000 -3.340 0.000) 3.340 1.308 ( 0.000 2.985 0.000) 2.985 1.316 ( 0.000 -0.103 0.000) 0.103 1.350 ( 0.000 -0.966 0.000) 0.966 1.430 ( 0.000 -4.169 0.000) 4.169 1.461 ( 0.000 -0.278 0.000) 0.278 1.502 ( 0.000 -1.842 0.000) 1.842 1.515 ( 0.000 -2.836 0.000) 2.836 1.538 ( 0.000 1.013 0.000) 1.013 1.580 ( 0.000 0.221 0.000) 0.221 1.681 ( 0.000 0.878 0.000) 0.878 1.707 ( 0.000 -1.290 0.000) 1.290 1.751 ( 0.000 2.927 0.000) 2.927 1.782 ( 0.000 -0.116 0.000) 0.116 1.809 ( 0.000 -1.047 0.000) 1.047 1.877 ( 0.000 0.171 0.000) 0.171 1.913 ( 0.000 -0.447 0.000) 0.447 1.925 ( 0.000 -0.976 0.000) 0.976 1.981 ( 0.000 0.623 0.000) 0.623 1.990 ( 0.000 -3.034 0.000) 3.034 2.102 ( 0.000 -7.391 0.000) 7.391 2.176 ( 0.000 3.399 0.000) 3.399 2.243 ( 0.000 0.215 0.000) 0.215 2.367 ( 0.000 3.716 0.000) 3.716 2.444 ( 0.000 -0.288 0.000) 0.288 2.487 ( 0.000 1.470 0.000) 1.470 2.618 ( 0.000 -3.074 0.000) 3.074 2.659 ( 0.000 -4.586 0.000) 4.586 2.687 ( 0.000 -5.946 0.000) 5.946 2.800 ( 0.000 1.630 0.000) 1.630 2.878 ( 0.000 -1.144 0.000) 1.144 2.950 ( 0.000 2.353 0.000) 2.353 3.030 ( 0.000 -2.986 0.000) 2.986 3.097 ( 0.000 2.509 0.000) 2.509 3.218 ( 0.000 -2.151 0.000) 2.151 3.440 ( 0.000 2.142 0.000) 2.142 3.469 ( 0.000 0.116 0.000) 0.116 3.603 ( 0.000 0.202 0.000) 0.202 3.630 ( 0.000 -1.655 0.000) 1.655 4.408 ( 0.000 0.921 0.000) 0.921 4.429 ( 0.000 -0.163 0.000) 0.163 4.515 ( 0.000 2.917 0.000) 2.917 4.655 ( 0.000 -3.267 0.000) 3.267 5.883 ( 0.000 0.336 0.000) 0.336 5.928 ( 0.000 -1.774 0.000) 1.774 6.018 ( 0.000 1.794 0.000) 1.794 6.103 ( 0.000 -2.450 0.000) 2.450 6.498 ( 0.000 10.663 0.000) 10.663 6.689 ( 0.000 11.297 0.000) 11.297 6.958 ( 0.000 -10.066 0.000) 10.066 7.074 ( 0.000 -5.931 0.000) 5.931 7.256 ( 0.000 2.219 0.000) 2.219 7.398 ( 0.000 -3.223 0.000) 3.223 7.437 ( 0.000 0.694 0.000) 0.694 7.460 ( 0.000 -0.322 0.000) 0.322 8.068 ( 0.000 2.825 0.000) 2.825 8.256 ( 0.000 5.039 0.000) 5.039 8.261 ( 0.000 -5.849 0.000) 5.849 8.430 ( 0.000 -2.837 0.000) 2.837 8.775 ( 0.000 0.740 0.000) 0.740 8.811 ( 0.000 -1.035 0.000) 1.035 8.935 ( 0.000 1.910 0.000) 1.910 8.997 ( 0.000 1.997 0.000) 1.997 9.064 ( 0.000 -0.544 0.000) 0.544 9.134 ( 0.000 -1.514 0.000) 1.514 9.190 ( 0.000 0.138 0.000) 0.138 9.279 ( 0.000 -2.504 0.000) 2.504 9.638 ( 0.000 0.377 0.000) 0.377 9.651 ( 0.000 -0.357 0.000) 0.357 9.987 ( 0.000 8.445 0.000) 8.445 10.256 ( 0.000 -4.227 0.000) 4.227 10.829 ( 0.000 2.473 0.000) 2.473 10.872 ( 0.000 0.757 0.000) 0.757 10.889 ( 0.000 -0.637 0.000) 0.637 10.958 ( 0.000 -2.912 0.000) 2.912 ======================= Grid point 11 (8/64) ======================= q-point: ( 0.20 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( 5.659 10.562 0.547) 11.995 0.743 ( 3.364 14.988 -5.051) 16.170 0.901 ( 0.318 -0.809 0.367) 0.943 1.030 ( 1.978 4.001 -1.276) 4.642 1.054 ( -0.246 0.246 1.573) 1.611 1.083 ( 0.626 -0.746 -1.769) 2.020 1.104 ( -1.425 0.610 0.168) 1.559 1.166 ( -0.556 1.972 0.455) 2.099 1.206 ( 0.720 3.114 1.593) 3.571 1.277 ( 0.266 3.281 1.306) 3.542 1.284 ( 0.496 -5.348 0.195) 5.374 1.316 ( -0.514 0.759 -2.934) 3.073 1.362 ( 0.638 -0.924 -0.110) 1.129 1.426 ( -0.442 -5.409 -1.220) 5.562 1.466 ( 0.192 0.256 -1.823) 1.851 1.483 ( 0.301 -1.906 -1.344) 2.352 1.526 ( -0.107 -1.187 0.935) 1.515 1.566 ( 3.023 3.523 0.422) 4.661 1.590 ( 1.030 -1.526 -0.818) 2.015 1.673 ( -0.657 0.454 0.339) 0.868 1.706 ( -0.793 -1.441 -0.331) 1.678 1.762 ( -0.366 1.778 -0.036) 1.816 1.779 ( 0.341 1.013 0.696) 1.275 1.786 ( -0.387 -0.661 -1.883) 2.033 1.868 ( -0.241 -0.562 0.647) 0.890 1.875 ( -3.815 -1.343 0.095) 4.045 1.930 ( 1.033 -0.881 -0.343) 1.401 1.967 ( 0.367 0.621 -1.439) 1.610 2.027 ( 2.165 0.155 2.757) 3.509 2.151 ( 2.791 -2.813 2.024) 4.449 2.193 ( 1.348 4.008 1.295) 4.423 2.271 ( 1.515 0.377 3.013) 3.393 2.361 ( -0.278 5.286 -0.244) 5.299 2.439 ( -0.013 1.484 -0.555) 1.584 2.490 ( -0.396 -0.053 1.312) 1.371 2.626 ( 0.626 -2.700 -0.480) 2.812 2.667 ( -0.947 -4.034 1.831) 4.531 2.685 ( 0.258 -5.596 1.378) 5.769 2.791 ( -0.054 0.105 -1.436) 1.441 2.862 ( -1.302 -1.408 -0.294) 1.940 2.953 ( -0.343 2.025 -0.079) 2.056 3.032 ( -2.188 1.943 -1.616) 3.342 3.076 ( 1.225 -3.474 -0.295) 3.696 3.194 ( -1.329 -2.945 -1.612) 3.611 3.427 ( -1.097 2.003 -0.748) 2.403 3.468 ( -0.254 -0.668 -0.003) 0.715 3.620 ( 1.492 0.390 0.665) 1.680 3.648 ( 1.024 -1.541 0.985) 2.096 4.388 ( -1.572 1.311 0.309) 2.070 4.428 ( -0.193 -0.609 -0.142) 0.654 4.518 ( 0.196 2.809 -0.039) 2.816 4.653 ( -0.368 -3.209 0.430) 3.259 5.882 ( 0.013 0.330 -0.314) 0.456 5.928 ( -0.034 -1.831 -0.012) 1.831 6.025 ( 0.581 1.621 -0.134) 1.727 6.103 ( -0.048 -2.240 0.016) 2.241 6.495 ( -0.229 10.410 -0.069) 10.413 6.690 ( 0.094 11.413 0.060) 11.414 6.950 ( -0.612 -10.141 -0.309) 10.164 7.078 ( 0.352 -5.904 -0.023) 5.915 7.262 ( 0.498 2.301 -0.062) 2.355 7.393 ( -0.470 -2.231 0.338) 2.305 7.441 ( 0.429 0.309 -0.287) 0.602 7.458 ( -0.190 -0.284 0.086) 0.352 8.071 ( 0.253 2.742 0.055) 2.754 8.253 ( 0.255 2.101 -0.635) 2.210 8.268 ( -0.118 -3.094 0.899) 3.224 8.424 ( -0.485 -2.720 -0.442) 2.798 8.780 ( 0.110 0.518 1.132) 1.249 8.809 ( 0.007 -0.924 -0.545) 1.073 8.928 ( -0.384 1.990 -0.723) 2.151 8.996 ( -0.040 1.778 0.031) 1.779 9.066 ( 0.087 -0.605 0.258) 0.664 9.137 ( 0.258 -1.539 0.164) 1.569 9.184 ( -0.399 0.081 -0.148) 0.433 9.272 ( -0.488 -2.281 -0.340) 2.357 9.654 ( 1.293 0.747 0.338) 1.531 9.674 ( 2.235 0.204 -0.168) 2.251 9.968 ( -1.778 7.384 0.377) 7.604 10.159 ( -7.495 -0.359 -0.681) 7.534 10.797 ( -0.944 1.972 0.112) 2.189 10.851 ( -1.200 -0.202 -0.089) 1.220 10.969 ( 3.425 -1.882 -0.879) 4.005 10.981 ( 2.454 -2.374 0.708) 3.487 ======================= Grid point 12 (9/64) ======================= q-point: ( 0.40 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( 3.441 9.158 -0.723) 9.810 0.872 ( 8.110 6.678 0.867) 10.542 0.899 ( -0.450 0.399 -0.326) 0.684 1.002 ( -4.053 2.554 -1.123) 4.921 1.049 ( 0.293 1.929 -0.481) 2.010 1.060 ( -0.079 -1.190 -0.829) 1.452 1.094 ( -2.394 2.314 0.890) 3.446 1.177 ( 0.038 1.473 -0.372) 1.520 1.194 ( 1.366 -0.109 1.616) 2.119 1.259 ( -2.300 -1.367 -3.043) 4.052 1.301 ( 0.441 -5.015 0.236) 5.040 1.329 ( 0.431 -5.322 0.590) 5.372 1.377 ( 2.173 -1.668 -0.965) 2.904 1.409 ( 0.170 -4.304 -0.982) 4.418 1.439 ( -1.356 0.692 -0.542) 1.616 1.507 ( 1.571 -0.659 -0.515) 1.779 1.524 ( -0.429 -1.259 0.719) 1.512 1.582 ( -0.835 -2.025 -0.700) 2.300 1.634 ( 2.720 1.148 -1.547) 3.333 1.658 ( -1.256 -0.387 2.037) 2.424 1.680 ( -1.118 -0.489 -0.122) 1.226 1.714 ( -1.482 -1.398 -1.216) 2.373 1.771 ( -0.592 0.787 0.509) 1.109 1.793 ( -1.829 0.155 -1.542) 2.397 1.852 ( 2.158 0.038 0.514) 2.219 1.877 ( -0.363 -0.684 1.461) 1.653 1.953 ( 1.205 1.619 -0.051) 2.019 1.972 ( 0.436 0.762 -0.615) 1.072 2.131 ( 5.953 3.969 4.338) 8.368 2.191 ( 0.704 3.497 0.612) 3.619 2.246 ( 1.857 4.255 1.189) 4.793 2.278 ( -2.969 3.057 -1.165) 4.418 2.373 ( 1.181 7.477 1.007) 7.636 2.436 ( -0.006 2.671 -0.523) 2.722 2.484 ( -0.634 -1.563 0.712) 1.831 2.615 ( -1.329 -3.198 -1.123) 3.641 2.645 ( -0.832 -2.585 1.046) 2.910 2.708 ( 0.571 -3.351 1.707) 3.804 2.792 ( 0.479 -2.173 -1.854) 2.896 2.837 ( -0.572 -2.873 0.537) 2.978 2.924 ( -1.492 2.392 -0.667) 2.897 2.994 ( -0.358 2.227 0.150) 2.261 3.076 ( -0.970 -5.474 -1.272) 5.703 3.187 ( 0.982 -4.946 -0.321) 5.053 3.398 ( -0.986 1.880 -0.502) 2.181 3.459 ( -0.414 -1.751 -0.144) 1.805 3.655 ( 1.315 -0.033 0.214) 1.333 3.667 ( 0.111 -0.895 0.636) 1.104 4.363 ( -0.826 1.717 0.163) 1.913 4.423 ( -0.196 -1.076 -0.056) 1.095 4.521 ( 0.086 2.527 0.004) 2.529 4.646 ( -0.328 -2.954 0.218) 2.980 5.881 ( 0.025 0.309 -0.201) 0.370 5.927 ( -0.045 -1.917 -0.017) 1.918 6.035 ( 0.339 1.394 -0.050) 1.435 6.102 ( -0.029 -1.894 0.003) 1.894 6.491 ( -0.122 9.994 -0.032) 9.995 6.692 ( 0.073 11.630 0.040) 11.631 6.936 ( -0.400 -10.248 -0.192) 10.257 7.085 ( 0.207 -5.857 -0.009) 5.860 7.271 ( 0.299 2.481 -0.074) 2.500 7.388 ( -0.188 -1.335 0.233) 1.369 7.448 ( 0.213 0.043 0.024) 0.218 7.455 ( -0.087 -0.168 -0.129) 0.229 8.076 ( 0.189 2.477 0.074) 2.486 8.258 ( 0.602 1.074 -0.828) 1.484 8.265 ( -0.605 -2.148 0.940) 2.422 8.411 ( -0.339 -2.491 -0.307) 2.533 8.790 ( 0.084 0.125 1.033) 1.043 8.806 ( 0.020 -0.703 -0.588) 0.917 8.917 ( -0.214 2.059 -0.488) 2.127 8.996 ( -0.016 1.430 0.028) 1.431 9.069 ( 0.047 -0.684 0.145) 0.700 9.143 ( 0.200 -1.610 0.085) 1.625 9.176 ( -0.285 0.000 -0.086) 0.298 9.262 ( -0.258 -2.062 -0.183) 2.086 9.684 ( 1.122 1.830 0.117) 2.150 9.723 ( 1.900 1.240 -0.047) 2.269 9.938 ( -0.861 5.193 0.388) 5.278 10.018 ( -4.757 2.370 -0.398) 5.329 10.796 ( 0.442 0.766 0.002) 0.885 10.827 ( -0.948 -0.346 -0.035) 1.010 11.001 ( 0.876 -1.373 -0.085) 1.631 11.032 ( 1.289 -2.763 -0.035) 3.049 ======================= Grid point 15 (10/64) ======================= q-point: ( 0.00 -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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( 0.000 -8.809 0.000) 8.809 0.781 ( 0.000 8.809 0.000) 8.809 1.001 ( 0.000 -6.050 0.000) 6.050 1.001 ( 0.000 6.050 0.000) 6.050 1.080 ( 0.000 -0.983 0.000) 0.983 1.080 ( 0.000 0.983 0.000) 0.983 1.166 ( 0.000 -4.049 0.000) 4.049 1.166 ( 0.000 4.049 0.000) 4.049 1.263 ( 0.000 -0.172 0.000) 0.172 1.263 ( 0.000 0.172 0.000) 0.172 1.304 ( 0.000 -1.295 0.000) 1.295 1.304 ( 0.000 1.295 0.000) 1.295 1.366 ( 0.000 -1.091 0.000) 1.091 1.366 ( 0.000 1.091 0.000) 1.091 1.466 ( 0.000 -0.048 0.000) 0.048 1.466 ( 0.000 0.048 0.000) 0.048 1.500 ( 0.000 -2.602 0.000) 2.602 1.500 ( 0.000 2.602 0.000) 2.602 1.668 ( 0.000 -2.601 0.000) 2.601 1.668 ( 0.000 2.601 0.000) 2.601 1.756 ( 0.000 -5.910 0.000) 5.910 1.756 ( 0.000 5.910 0.000) 5.910 1.789 ( 0.000 -0.764 0.000) 0.764 1.789 ( 0.000 0.764 0.000) 0.764 1.893 ( 0.000 -1.332 0.000) 1.332 1.893 ( 0.000 1.332 0.000) 1.332 1.902 ( 0.000 -1.412 0.000) 1.412 1.902 ( 0.000 1.412 0.000) 1.412 2.002 ( 0.000 -1.470 0.000) 1.470 2.002 ( 0.000 1.470 0.000) 1.470 2.230 ( 0.000 -1.594 0.000) 1.594 2.230 ( 0.000 1.594 0.000) 1.594 2.437 ( 0.000 -1.150 0.000) 1.150 2.437 ( 0.000 1.150 0.000) 1.150 2.548 ( 0.000 -5.640 0.000) 5.640 2.548 ( 0.000 5.640 0.000) 5.640 2.597 ( 0.000 -1.654 0.000) 1.654 2.597 ( 0.000 1.654 0.000) 1.654 2.843 ( 0.000 -2.211 0.000) 2.211 2.843 ( 0.000 2.211 0.000) 2.211 2.988 ( 0.000 -1.586 0.000) 1.586 2.988 ( 0.000 1.586 0.000) 1.586 3.159 ( 0.000 -3.326 0.000) 3.326 3.159 ( 0.000 3.326 0.000) 3.326 3.468 ( 0.000 -0.498 0.000) 0.498 3.468 ( 0.000 0.498 0.000) 0.498 3.608 ( 0.000 -0.513 0.000) 0.513 3.608 ( 0.000 0.513 0.000) 0.513 4.422 ( 0.000 -0.489 0.000) 0.489 4.422 ( 0.000 0.489 0.000) 0.489 4.583 ( 0.000 -3.612 0.000) 3.612 4.583 ( 0.000 3.612 0.000) 3.612 5.897 ( 0.000 -1.131 0.000) 1.131 5.897 ( 0.000 1.131 0.000) 1.131 6.058 ( 0.000 -2.089 0.000) 2.089 6.058 ( 0.000 2.089 0.000) 2.089 6.731 ( 0.000 -11.856 0.000) 11.856 6.731 ( 0.000 11.856 0.000) 11.856 6.908 ( 0.000 -9.979 0.000) 9.979 6.908 ( 0.000 9.979 0.000) 9.979 7.323 ( 0.000 -3.853 0.000) 3.853 7.323 ( 0.000 3.853 0.000) 3.853 7.451 ( 0.000 -0.610 0.000) 0.610 7.451 ( 0.000 0.610 0.000) 0.610 8.149 ( 0.000 -5.002 0.000) 5.002 8.149 ( 0.000 5.002 0.000) 5.002 8.355 ( 0.000 -4.504 0.000) 4.504 8.355 ( 0.000 4.504 0.000) 4.504 8.792 ( 0.000 -0.886 0.000) 0.886 8.792 ( 0.000 0.886 0.000) 0.886 8.980 ( 0.000 -2.402 0.000) 2.402 8.980 ( 0.000 2.402 0.000) 2.402 9.092 ( 0.000 -2.489 0.000) 2.489 9.092 ( 0.000 2.489 0.000) 2.489 9.225 ( 0.000 -2.624 0.000) 2.624 9.225 ( 0.000 2.624 0.000) 2.624 9.645 ( 0.000 -0.260 0.000) 0.260 9.645 ( 0.000 0.260 0.000) 0.260 10.144 ( 0.000 -6.781 0.000) 6.781 10.144 ( 0.000 6.781 0.000) 6.781 10.871 ( 0.000 -1.274 0.000) 1.274 10.871 ( 0.000 1.274 0.000) 1.274 10.901 ( 0.000 -2.427 0.000) 2.427 10.901 ( 0.000 2.427 0.000) 2.427 ======================= Grid point 17 (11/64) ======================= q-point: ( 0.20 -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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( 2.729 -6.754 0.550) 7.305 0.815 ( 2.729 6.754 0.550) 7.305 1.004 ( 0.764 -7.049 -1.530) 7.254 1.004 ( 0.764 7.049 -1.530) 7.254 1.072 ( 0.093 -0.757 -1.793) 1.949 1.072 ( 0.093 0.757 -1.793) 1.949 1.142 ( -1.485 -4.747 -1.573) 5.217 1.142 ( -1.485 4.747 -1.573) 5.217 1.245 ( -1.157 -2.930 0.319) 3.167 1.245 ( -1.157 2.930 0.319) 3.167 1.285 ( -0.882 -2.424 -1.622) 3.047 1.285 ( -0.882 2.424 -1.622) 3.047 1.355 ( -0.154 -1.211 -1.453) 1.897 1.355 ( -0.154 1.211 -1.453) 1.897 1.473 ( 0.553 -0.657 -1.066) 1.369 1.473 ( 0.553 0.657 -1.066) 1.369 1.530 ( 1.254 -2.228 0.507) 2.606 1.530 ( 1.254 2.228 0.507) 2.606 1.670 ( -0.353 -2.235 1.224) 2.573 1.670 ( -0.353 2.235 1.224) 2.573 1.720 ( -2.234 -3.734 -2.614) 5.076 1.720 ( -2.234 3.734 -2.614) 5.076 1.805 ( 0.504 -1.917 1.163) 2.298 1.805 ( 0.504 1.917 1.163) 2.298 1.856 ( -1.193 -1.725 -1.064) 2.352 1.856 ( -1.193 1.725 -1.064) 2.352 1.953 ( 2.146 -2.331 0.262) 3.179 1.953 ( 2.146 2.331 0.262) 3.179 2.061 ( 4.926 -3.748 5.273) 8.131 2.061 ( 4.926 3.748 5.273) 8.131 2.255 ( 1.512 -2.007 1.860) 3.127 2.255 ( 1.512 2.007 1.860) 3.127 2.450 ( 0.801 -1.457 0.599) 1.767 2.450 ( 0.801 1.457 0.599) 1.767 2.546 ( 0.091 -6.016 -1.050) 6.107 2.546 ( 0.091 6.016 -1.050) 6.107 2.606 ( 0.256 -1.247 2.049) 2.412 2.606 ( 0.256 1.247 2.049) 2.412 2.821 ( -1.602 -2.262 -0.953) 2.931 2.821 ( -1.602 2.262 -0.953) 2.931 2.998 ( 0.483 -2.496 -0.037) 2.543 2.998 ( 0.483 2.496 -0.037) 2.543 3.118 ( -2.705 -4.215 -1.668) 5.279 3.118 ( -2.705 4.215 -1.668) 5.279 3.456 ( -0.986 -0.811 -0.639) 1.428 3.456 ( -0.986 0.811 -0.639) 1.428 3.627 ( 1.376 -0.538 0.673) 1.624 3.627 ( 1.376 0.538 0.673) 1.624 4.412 ( -0.889 -0.994 0.133) 1.340 4.412 ( -0.889 0.994 0.133) 1.340 4.583 ( -0.131 -3.497 0.246) 3.508 4.583 ( -0.131 3.497 0.246) 3.508 5.896 ( -0.034 -1.146 -0.176) 1.160 5.896 ( -0.034 1.146 -0.176) 1.160 6.061 ( 0.264 -1.926 0.011) 1.944 6.061 ( 0.264 1.926 0.011) 1.944 6.724 ( -0.522 -11.681 -0.332) 11.698 6.724 ( -0.522 11.681 -0.332) 11.698 6.912 ( 0.283 -10.026 0.078) 10.030 6.912 ( 0.283 10.026 0.078) 10.030 7.328 ( 0.289 -3.666 0.361) 3.695 7.328 ( 0.289 3.666 0.361) 3.695 7.451 ( 0.060 -0.471 -0.175) 0.506 7.451 ( 0.060 0.471 -0.175) 0.506 8.151 ( 0.185 -5.003 -0.049) 5.007 8.151 ( 0.185 5.003 -0.049) 5.007 8.351 ( -0.282 -4.286 -0.024) 4.295 8.351 ( -0.282 4.286 -0.024) 4.295 8.793 ( 0.081 -0.723 0.020) 0.727 8.793 ( 0.081 0.723 0.020) 0.727 8.976 ( -0.259 -2.624 -0.223) 2.646 8.976 ( -0.259 2.624 -0.223) 2.646 9.093 ( 0.100 -2.604 0.205) 2.614 9.093 ( 0.100 2.604 0.205) 2.614 9.220 ( -0.367 -2.601 -0.272) 2.641 9.220 ( -0.367 2.601 -0.272) 2.641 9.669 ( 2.219 -0.642 0.142) 2.314 9.669 ( 2.219 0.642 0.142) 2.314 10.098 ( -3.953 -5.102 -0.179) 6.456 10.098 ( -3.953 5.102 -0.179) 6.456 10.835 ( -1.672 -1.481 0.059) 2.234 10.835 ( -1.672 1.481 0.059) 2.234 10.952 ( 2.868 -0.313 0.024) 2.886 10.952 ( 2.868 0.313 0.024) 2.886 ======================= Grid point 19 (12/64) ======================= q-point: ( 0.40 -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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( 1.448 -3.747 0.260) 4.026 0.866 ( 1.448 3.747 0.260) 4.026 1.012 ( 1.052 -4.030 -2.342) 4.779 1.012 ( 1.052 4.030 -2.342) 4.779 1.060 ( -1.139 -1.334 0.745) 1.906 1.060 ( -1.139 1.334 0.745) 1.906 1.144 ( 2.854 -4.514 0.005) 5.340 1.144 ( 2.854 4.514 0.005) 5.340 1.218 ( -1.616 -2.963 -0.392) 3.398 1.218 ( -1.616 2.963 -0.392) 3.398 1.242 ( -2.139 -2.057 -1.526) 3.338 1.242 ( -2.139 2.057 -1.526) 3.338 1.356 ( 0.641 -0.799 -0.734) 1.260 1.356 ( 0.641 0.799 -0.734) 1.260 1.477 ( 0.370 -2.175 -0.814) 2.351 1.477 ( 0.370 2.175 -0.814) 2.351 1.534 ( -0.634 -1.880 0.384) 2.021 1.534 ( -0.634 1.880 0.384) 2.021 1.665 ( -1.013 -0.407 -0.345) 1.145 1.665 ( -1.013 0.407 -0.345) 1.145 1.679 ( 0.203 -1.786 0.123) 1.802 1.679 ( 0.203 1.786 0.123) 1.802 1.779 ( -1.685 -0.865 -0.569) 1.977 1.779 ( -1.685 0.865 -0.569) 1.977 1.862 ( 0.619 -0.719 0.274) 0.988 1.862 ( 0.619 0.719 0.274) 0.988 1.980 ( 0.679 -0.399 -0.100) 0.794 1.980 ( 0.679 0.399 -0.100) 0.794 2.217 ( 5.253 -2.623 3.775) 6.980 2.217 ( 5.253 2.623 3.775) 6.980 2.292 ( 0.753 -1.410 0.948) 1.858 2.292 ( 0.753 1.410 0.948) 1.858 2.466 ( 0.397 -0.374 0.242) 0.597 2.466 ( 0.397 0.374 0.242) 0.597 2.531 ( -1.081 -5.330 -0.466) 5.458 2.531 ( -1.081 5.330 -0.466) 5.458 2.630 ( 0.829 -2.482 0.982) 2.795 2.630 ( 0.829 2.482 0.982) 2.795 2.784 ( -1.052 -1.836 -0.663) 2.218 2.784 ( -1.052 1.836 -0.663) 2.218 2.979 ( -1.542 -3.548 -0.885) 3.969 2.979 ( -1.542 3.548 -0.885) 3.969 3.079 ( -0.243 -5.312 -0.351) 5.329 3.079 ( -0.243 5.312 -0.351) 5.329 3.430 ( -0.805 -1.320 -0.471) 1.617 3.430 ( -0.805 1.320 -0.471) 1.617 3.655 ( 0.749 -0.218 0.332) 0.848 3.655 ( 0.749 0.218 0.332) 0.848 4.397 ( -0.529 -1.500 0.091) 1.593 4.397 ( -0.529 1.500 0.091) 1.593 4.581 ( -0.124 -3.278 0.140) 3.284 4.581 ( -0.124 3.278 0.140) 3.284 5.895 ( -0.023 -1.137 -0.113) 1.142 5.895 ( -0.023 1.137 -0.113) 1.142 6.066 ( 0.164 -1.668 0.011) 1.676 6.066 ( 0.164 1.668 0.011) 1.676 6.713 ( -0.300 -11.446 -0.197) 11.451 6.713 ( -0.300 11.446 -0.197) 11.451 6.918 ( 0.160 -10.159 0.048) 10.161 6.918 ( 0.160 10.159 0.048) 10.161 7.335 ( 0.169 -3.354 0.216) 3.366 7.335 ( 0.169 3.354 0.216) 3.366 7.452 ( 0.058 -0.206 -0.107) 0.239 7.452 ( 0.058 0.206 -0.107) 0.239 8.154 ( 0.077 -4.908 -0.042) 4.908 8.154 ( 0.077 4.908 -0.042) 4.908 8.346 ( -0.170 -3.868 -0.012) 3.872 8.346 ( -0.170 3.868 -0.012) 3.872 8.794 ( 0.063 -0.398 0.028) 0.404 8.794 ( 0.063 0.398 0.028) 0.404 8.970 ( -0.151 -2.974 -0.133) 2.981 8.970 ( -0.151 2.974 -0.133) 2.981 9.096 ( 0.058 -2.801 0.117) 2.804 9.096 ( 0.058 2.801 0.117) 2.804 9.212 ( -0.223 -2.595 -0.167) 2.610 9.212 ( -0.223 2.595 -0.167) 2.610 9.720 ( 1.986 -1.313 0.086) 2.383 9.720 ( 1.986 1.313 0.086) 2.383 10.016 ( -2.953 -2.281 -0.082) 3.732 10.016 ( -2.953 2.281 -0.082) 3.732 10.814 ( -0.475 -0.873 0.002) 0.994 10.814 ( -0.475 0.873 0.002) 0.994 10.995 ( 1.138 -0.802 0.031) 1.393 10.995 ( 1.138 0.802 0.031) 1.393 ======================= Grid point 35 (13/64) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.252 ( -4.652 0.000 13.020) 13.826 0.341 ( 1.607 0.000 17.442) 17.516 0.496 ( 6.855 0.000 24.519) 25.459 0.901 ( 0.429 0.000 1.599) 1.655 0.995 ( 3.161 0.000 -4.567) 5.554 1.064 ( -1.047 0.000 0.496) 1.159 1.066 ( 0.832 0.000 -0.463) 0.952 1.163 ( -1.040 0.000 -1.077) 1.497 1.185 ( 0.845 0.000 -1.006) 1.313 1.233 ( -0.868 0.000 0.836) 1.205 1.289 ( -4.225 0.000 -0.429) 4.246 1.394 ( 0.350 0.000 2.285) 2.312 1.432 ( -1.516 0.000 -2.903) 3.275 1.452 ( 3.347 0.000 1.110) 3.526 1.498 ( 2.094 0.000 -0.002) 2.094 1.533 ( 0.159 0.000 -0.108) 0.192 1.535 ( 1.121 0.000 -1.314) 1.728 1.580 ( 0.189 0.000 -1.824) 1.834 1.602 ( -2.584 0.000 1.540) 3.008 1.642 ( -0.509 0.000 2.568) 2.617 1.733 ( -0.424 0.000 -2.824) 2.855 1.741 ( 0.934 0.000 -0.783) 1.219 1.784 ( -0.630 0.000 1.925) 2.025 1.789 ( 0.890 0.000 -1.565) 1.800 1.871 ( -0.288 0.000 -0.605) 0.670 1.879 ( 1.289 0.000 -0.809) 1.522 1.930 ( -1.029 0.000 1.542) 1.854 1.942 ( -0.295 0.000 -1.930) 1.953 2.071 ( -0.165 0.000 1.072) 1.084 2.171 ( -0.718 0.000 -1.352) 1.531 2.176 ( -0.823 0.000 0.992) 1.289 2.180 ( 3.891 0.000 0.146) 3.893 2.286 ( -5.054 0.000 -5.134) 7.204 2.455 ( 5.466 0.000 -1.494) 5.667 2.479 ( 2.702 0.000 4.277) 5.059 2.700 ( 1.160 0.000 -1.825) 2.162 2.785 ( -0.874 0.000 -1.971) 2.156 2.809 ( 1.814 0.000 1.959) 2.670 2.840 ( -1.981 0.000 -2.796) 3.427 2.868 ( -1.678 0.000 1.595) 2.315 2.905 ( -1.209 0.000 0.602) 1.350 3.025 ( -3.175 0.000 -3.042) 4.398 3.174 ( 0.976 0.000 0.956) 1.366 3.201 ( -0.544 0.000 0.146) 0.563 3.418 ( -3.395 0.000 2.045) 3.963 3.504 ( 0.634 0.000 3.225) 3.287 3.579 ( -0.279 0.000 -0.339) 0.439 3.673 ( 1.836 0.000 -0.787) 1.998 4.375 ( 0.795 0.000 0.134) 0.807 4.447 ( -1.525 0.000 2.418) 2.859 4.455 ( -0.478 0.000 -0.290) 0.560 4.707 ( 0.862 0.000 -2.232) 2.392 5.872 ( -0.229 0.000 -0.829) 0.860 5.950 ( -0.003 0.000 -2.126) 2.126 6.124 ( -5.014 0.000 1.353) 5.193 6.209 ( 0.335 0.000 0.084) 0.345 6.314 ( -0.279 0.000 1.396) 1.424 6.331 ( -0.592 0.000 1.548) 1.657 7.125 ( -0.177 0.000 0.631) 0.655 7.179 ( -0.671 0.000 -0.150) 0.688 7.286 ( -1.041 0.000 0.034) 1.041 7.364 ( 0.517 0.000 0.934) 1.068 7.418 ( 1.002 0.000 -1.860) 2.112 7.437 ( 1.175 0.000 -0.668) 1.352 8.048 ( 0.422 0.000 0.331) 0.537 8.104 ( 0.486 0.000 -0.503) 0.699 8.437 ( -0.809 0.000 0.521) 0.963 8.464 ( -0.527 0.000 -0.016) 0.527 8.816 ( 0.517 0.000 -2.989) 3.033 8.835 ( -0.154 0.000 -4.033) 4.036 8.851 ( -2.255 0.000 1.332) 2.619 9.032 ( 0.411 0.000 -1.569) 1.622 9.166 ( 0.085 0.000 0.719) 0.724 9.252 ( 0.613 0.000 -0.506) 0.795 9.296 ( 6.684 0.000 2.889) 7.281 9.311 ( -0.333 0.000 2.018) 2.045 9.661 ( -0.244 0.000 -0.212) 0.324 9.674 ( 0.115 0.000 -0.325) 0.345 9.814 ( 0.400 0.000 0.338) 0.524 9.854 ( 0.124 0.000 -0.300) 0.325 10.743 ( -0.144 0.000 0.054) 0.154 10.768 ( -1.504 0.000 -0.146) 1.511 10.868 ( -0.444 0.000 0.980) 1.076 11.017 ( 1.396 0.000 -1.526) 2.068 ======================= Grid point 36 (14/64) ======================= q-point: ( 0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.399 ( 7.697 0.000 9.316) 12.084 0.576 ( 10.203 0.000 12.282) 15.968 0.878 ( 9.676 0.000 7.975) 12.539 0.925 ( 1.734 0.000 1.869) 2.549 1.029 ( 0.883 0.000 -3.951) 4.048 1.075 ( 0.223 0.000 -1.339) 1.357 1.087 ( 5.972 0.000 8.490) 10.380 1.129 ( -0.770 0.000 -1.724) 1.888 1.134 ( -7.687 0.000 1.332) 7.802 1.222 ( 1.690 0.000 -0.152) 1.697 1.235 ( 0.041 0.000 1.916) 1.917 1.391 ( -0.436 0.000 -2.248) 2.290 1.422 ( 0.997 0.000 1.383) 1.705 1.515 ( -0.452 0.000 -2.360) 2.403 1.520 ( 1.658 0.000 -4.101) 4.424 1.546 ( 1.818 0.000 0.661) 1.935 1.560 ( 0.970 0.000 0.061) 0.972 1.572 ( 0.713 0.000 0.152) 0.729 1.583 ( 1.251 0.000 -0.656) 1.412 1.668 ( 1.455 0.000 4.723) 4.942 1.703 ( -0.832 0.000 -1.681) 1.876 1.745 ( -0.299 0.000 1.171) 1.209 1.787 ( -0.524 0.000 1.736) 1.814 1.809 ( 1.171 0.000 -0.860) 1.453 1.843 ( -0.846 0.000 -2.159) 2.318 1.897 ( 0.572 0.000 -0.690) 0.896 1.924 ( 0.106 0.000 -2.174) 2.176 1.943 ( 0.144 0.000 3.756) 3.759 2.058 ( -1.165 0.000 -3.193) 3.399 2.136 ( -2.838 0.000 -3.372) 4.408 2.138 ( -1.012 0.000 -2.093) 2.325 2.170 ( -2.732 0.000 1.860) 3.305 2.204 ( -0.479 0.000 -1.239) 1.329 2.478 ( -3.560 0.000 -5.767) 6.778 2.541 ( 0.914 0.000 3.501) 3.618 2.702 ( -0.234 0.000 -0.581) 0.627 2.737 ( -2.253 0.000 -2.517) 3.378 2.789 ( -0.331 0.000 -2.934) 2.953 2.802 ( -2.263 0.000 2.020) 3.033 2.908 ( -0.432 0.000 1.086) 1.169 2.913 ( 3.361 0.000 1.525) 3.691 2.944 ( -1.850 0.000 -2.484) 3.097 3.193 ( -0.376 0.000 -0.774) 0.860 3.226 ( 3.476 0.000 0.932) 3.598 3.384 ( -1.428 0.000 2.391) 2.785 3.538 ( 0.508 0.000 2.573) 2.623 3.593 ( 1.907 0.000 0.232) 1.921 3.695 ( 0.288 0.000 -0.787) 0.838 4.374 ( -1.796 0.000 0.996) 2.054 4.440 ( -0.469 0.000 -0.706) 0.847 4.459 ( 1.403 0.000 1.269) 1.892 4.702 ( -0.067 0.000 -2.060) 2.061 5.867 ( 0.264 0.000 -0.719) 0.766 5.948 ( 0.957 0.000 -1.969) 2.190 6.052 ( -2.903 0.000 4.692) 5.518 6.211 ( -0.209 0.000 -0.151) 0.258 6.310 ( -0.814 0.000 1.473) 1.683 6.335 ( -0.206 0.000 1.530) 1.544 7.130 ( 0.185 0.000 0.819) 0.839 7.181 ( 0.598 0.000 -0.429) 0.736 7.266 ( -0.865 0.000 0.273) 0.907 7.376 ( 0.107 0.000 0.590) 0.600 7.422 ( 0.633 0.000 -2.070) 2.164 7.447 ( 0.348 0.000 -1.113) 1.166 8.065 ( 0.877 0.000 0.374) 0.953 8.112 ( 0.622 0.000 -0.787) 1.003 8.422 ( -0.927 0.000 0.811) 1.232 8.450 ( -0.675 0.000 0.009) 0.675 8.777 ( -1.645 0.000 -3.079) 3.490 8.810 ( 0.713 0.000 -2.744) 2.835 8.849 ( 0.055 0.000 0.725) 0.727 9.030 ( 0.365 0.000 -1.542) 1.585 9.171 ( -0.122 0.000 0.644) 0.655 9.255 ( -7.780 0.000 8.009) 11.166 9.262 ( 0.543 0.000 -0.484) 0.727 9.310 ( -0.835 0.000 1.674) 1.871 9.657 ( 0.041 0.000 -0.398) 0.400 9.682 ( 0.815 0.000 -0.198) 0.838 9.738 ( -3.666 0.000 3.139) 4.827 9.844 ( -0.830 0.000 -0.398) 0.921 10.756 ( 1.224 0.000 0.285) 1.256 10.857 ( -1.106 0.000 0.751) 1.337 10.922 ( 9.133 0.000 -8.293) 12.337 11.055 ( 3.034 0.000 -1.647) 3.452 ======================= Grid point 37 (15/64) ======================= q-point: ( 0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( 2.197 0.000 8.047) 8.341 0.817 ( 4.064 0.000 4.007) 5.707 0.887 ( -1.868 0.000 0.464) 1.925 0.943 ( -3.669 0.000 -1.618) 4.010 0.966 ( 0.841 0.000 -0.159) 0.856 1.021 ( -3.232 0.000 1.037) 3.394 1.064 ( 0.312 0.000 -2.886) 2.902 1.134 ( 1.010 0.000 0.229) 1.035 1.235 ( 0.831 0.000 0.382) 0.914 1.254 ( 0.346 0.000 2.927) 2.948 1.385 ( 0.734 0.000 -2.785) 2.880 1.387 ( 5.373 0.000 5.600) 7.761 1.437 ( 0.473 0.000 -0.441) 0.647 1.474 ( -1.355 0.000 -3.282) 3.550 1.507 ( -0.041 0.000 -6.784) 6.784 1.531 ( -0.362 0.000 -0.276) 0.456 1.576 ( 0.687 0.000 1.020) 1.230 1.621 ( 2.328 0.000 1.011) 2.538 1.637 ( 1.839 0.000 -0.701) 1.968 1.678 ( -0.713 0.000 -1.167) 1.367 1.740 ( -0.013 0.000 4.672) 4.672 1.741 ( -1.258 0.000 0.975) 1.592 1.779 ( 0.031 0.000 -1.879) 1.880 1.813 ( -1.941 0.000 1.170) 2.267 1.816 ( 1.610 0.000 -0.692) 1.753 1.893 ( -0.933 0.000 0.518) 1.067 1.930 ( 2.566 0.000 -0.464) 2.608 1.959 ( -0.075 0.000 1.399) 1.401 2.023 ( 1.592 0.000 -2.668) 3.107 2.108 ( -0.312 0.000 3.176) 3.191 2.113 ( -0.897 0.000 -2.126) 2.308 2.158 ( 0.198 0.000 0.885) 0.907 2.161 ( -2.107 0.000 -0.408) 2.146 2.365 ( -1.947 0.000 -1.817) 2.663 2.552 ( -1.569 0.000 1.853) 2.428 2.686 ( -0.938 0.000 0.006) 0.938 2.693 ( -0.178 0.000 -2.243) 2.250 2.771 ( -1.464 0.000 0.422) 1.523 2.772 ( 0.851 0.000 -3.738) 3.833 2.863 ( -1.614 0.000 -2.036) 2.598 2.956 ( 1.236 0.000 1.417) 1.881 2.971 ( 0.926 0.000 1.246) 1.552 3.194 ( 1.053 0.000 0.745) 1.290 3.307 ( 3.391 0.000 1.158) 3.583 3.373 ( -1.165 0.000 2.225) 2.511 3.545 ( -0.883 0.000 0.807) 1.196 3.639 ( 1.853 0.000 -0.625) 1.956 3.670 ( -1.701 0.000 -1.594) 2.331 4.342 ( -1.480 0.000 1.390) 2.030 4.434 ( 0.319 0.000 -0.499) 0.593 4.488 ( 0.532 0.000 0.799) 0.960 4.687 ( -0.011 0.000 -2.087) 2.087 5.874 ( 0.577 0.000 -0.157) 0.598 5.958 ( 0.959 0.000 -1.417) 1.711 6.044 ( -0.724 0.000 3.434) 3.509 6.201 ( -0.368 0.000 -0.627) 0.727 6.302 ( -0.775 0.000 1.412) 1.610 6.337 ( -0.484 0.000 1.598) 1.670 7.138 ( -0.021 0.000 0.876) 0.876 7.192 ( 0.682 0.000 -0.432) 0.807 7.260 ( -0.051 0.000 1.116) 1.117 7.375 ( -0.323 0.000 -0.047) 0.327 7.421 ( 0.559 0.000 -2.017) 2.093 7.444 ( 0.054 0.000 -1.110) 1.111 8.077 ( 0.102 0.000 -0.259) 0.278 8.115 ( 0.258 0.000 -1.441) 1.464 8.418 ( -0.161 0.000 1.885) 1.891 8.444 ( -0.015 0.000 0.657) 0.657 8.740 ( -0.249 0.000 -2.990) 3.000 8.813 ( 0.939 0.000 -2.158) 2.353 8.854 ( 0.020 0.000 0.646) 0.647 9.030 ( 0.448 0.000 -1.429) 1.498 9.149 ( -4.652 0.000 5.482) 7.190 9.181 ( -1.893 0.000 2.773) 3.358 9.263 ( 0.012 0.000 -1.108) 1.109 9.301 ( -0.742 0.000 1.181) 1.394 9.659 ( 0.416 0.000 -0.270) 0.496 9.698 ( 0.587 0.000 -0.099) 0.595 9.705 ( -1.587 0.000 1.806) 2.405 9.824 ( -0.542 0.000 -0.628) 0.830 10.789 ( 1.410 0.000 0.918) 1.683 10.834 ( -1.324 0.000 0.600) 1.454 11.001 ( 3.753 0.000 -5.818) 6.923 11.100 ( 2.452 0.000 -2.478) 3.486 ======================= Grid point 38 (16/64) ======================= q-point: (-0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.515 ( -10.173 0.000 6.199) 11.913 0.649 ( -13.196 0.000 -0.214) 13.198 0.904 ( -0.412 0.000 0.954) 1.039 0.982 ( 1.486 0.000 -2.125) 2.593 0.998 ( 2.213 0.000 -2.173) 3.102 1.009 ( -1.482 0.000 3.172) 3.501 1.056 ( 0.548 0.000 -2.278) 2.343 1.163 ( 1.109 0.000 1.221) 1.649 1.216 ( -5.588 0.000 0.973) 5.673 1.263 ( -9.537 0.000 0.433) 9.547 1.276 ( -0.281 0.000 2.429) 2.445 1.379 ( -0.119 0.000 0.015) 0.120 1.431 ( -0.299 0.000 -2.591) 2.608 1.453 ( -0.917 0.000 -4.866) 4.952 1.456 ( 2.000 0.000 -2.758) 3.406 1.528 ( 0.344 0.000 -0.778) 0.851 1.572 ( -1.799 0.000 0.446) 1.853 1.640 ( -0.121 0.000 -1.001) 1.009 1.652 ( -1.934 0.000 -0.549) 2.011 1.669 ( 1.650 0.000 1.792) 2.436 1.713 ( -3.020 0.000 2.122) 3.691 1.748 ( 0.502 0.000 0.674) 0.840 1.749 ( 0.823 0.000 -1.958) 2.124 1.826 ( 1.387 0.000 0.521) 1.482 1.837 ( -1.026 0.000 -1.461) 1.786 1.889 ( 0.296 0.000 0.594) 0.663 1.979 ( -0.204 0.000 -0.485) 0.526 1.982 ( 0.147 0.000 2.942) 2.946 2.035 ( 0.395 0.000 -0.546) 0.674 2.112 ( 2.644 0.000 -1.039) 2.841 2.149 ( 1.197 0.000 1.630) 2.022 2.157 ( 0.764 0.000 0.641) 0.997 2.207 ( 4.473 0.000 3.532) 5.700 2.399 ( 4.526 0.000 -1.335) 4.718 2.505 ( -3.111 0.000 -0.507) 3.152 2.674 ( 0.106 0.000 -0.926) 0.932 2.710 ( 2.985 0.000 -1.529) 3.354 2.750 ( -0.515 0.000 -0.162) 0.540 2.799 ( 3.840 0.000 -2.623) 4.650 2.843 ( 0.828 0.000 -1.355) 1.588 2.964 ( -1.933 0.000 0.895) 2.130 2.989 ( 1.176 0.000 1.544) 1.941 3.235 ( 1.019 0.000 2.315) 2.529 3.328 ( -2.333 0.000 0.253) 2.347 3.395 ( 1.890 0.000 3.150) 3.674 3.516 ( -1.837 0.000 0.014) 1.837 3.600 ( -2.195 0.000 -2.001) 2.970 3.670 ( 0.701 0.000 -1.833) 1.963 4.340 ( 0.509 0.000 1.056) 1.172 4.446 ( 0.755 0.000 0.064) 0.758 4.490 ( -0.727 0.000 0.863) 1.128 4.683 ( 0.978 0.000 -2.293) 2.493 5.883 ( 0.228 0.000 0.108) 0.252 5.968 ( 0.543 0.000 -0.756) 0.931 6.058 ( 0.283 0.000 3.450) 3.462 6.194 ( 0.227 0.000 -0.800) 0.831 6.299 ( -0.323 0.000 1.386) 1.423 6.336 ( -0.598 0.000 1.825) 1.920 7.137 ( -0.484 0.000 0.711) 0.860 7.202 ( 0.519 0.000 -0.348) 0.625 7.276 ( 0.587 0.000 1.796) 1.890 7.365 ( -0.506 0.000 -0.491) 0.705 7.420 ( 0.496 0.000 -1.931) 1.994 7.435 ( -0.082 0.000 -1.590) 1.592 8.066 ( -0.759 0.000 -0.624) 0.983 8.106 ( -0.069 0.000 -1.512) 1.514 8.434 ( 0.333 0.000 1.954) 1.982 8.455 ( 0.469 0.000 0.999) 1.104 8.735 ( 1.191 0.000 -0.511) 1.296 8.819 ( 0.881 0.000 -2.070) 2.250 8.857 ( -0.102 0.000 0.582) 0.591 9.031 ( 0.513 0.000 -1.402) 1.493 9.086 ( -4.740 0.000 6.098) 7.723 9.169 ( -0.566 0.000 0.428) 0.709 9.253 ( -0.118 0.000 -1.347) 1.352 9.297 ( -0.277 0.000 1.071) 1.106 9.670 ( 0.543 0.000 0.110) 0.554 9.690 ( -0.804 0.000 1.517) 1.717 9.697 ( -0.573 0.000 -0.235) 0.620 9.824 ( 0.903 0.000 -0.595) 1.081 10.791 ( -1.695 0.000 0.731) 1.846 10.838 ( 1.069 0.000 1.070) 1.513 11.019 ( 1.131 0.000 -3.856) 4.018 11.122 ( 1.568 0.000 -5.082) 5.318 ======================= Grid point 39 (17/64) ======================= q-point: (-0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.349 ( -9.387 0.000 11.559) 14.890 0.392 ( -12.773 0.000 8.244) 15.202 0.640 ( -24.646 0.000 5.746) 25.307 0.901 ( -1.176 0.000 0.380) 1.235 0.989 ( 0.471 0.000 -4.948) 4.970 1.046 ( 2.166 0.000 1.222) 2.487 1.056 ( 0.535 0.000 -1.147) 1.266 1.178 ( -0.044 0.000 -0.052) 0.068 1.196 ( -0.842 0.000 -2.111) 2.272 1.241 ( 4.282 0.000 6.012) 7.381 1.260 ( -1.779 0.000 0.484) 1.844 1.382 ( -0.423 0.000 2.426) 2.463 1.421 ( -0.257 0.000 -1.218) 1.245 1.443 ( 2.289 0.000 -1.467) 2.719 1.470 ( 0.623 0.000 -2.562) 2.637 1.529 ( 0.228 0.000 -0.760) 0.794 1.538 ( -0.748 0.000 -0.975) 1.229 1.605 ( -1.355 0.000 -0.966) 1.664 1.641 ( -0.397 0.000 0.715) 0.818 1.652 ( -3.847 0.000 3.346) 5.098 1.714 ( 1.970 0.000 -0.441) 2.019 1.749 ( 0.179 0.000 -2.033) 2.041 1.777 ( 1.015 0.000 0.677) 1.220 1.805 ( -1.256 0.000 -0.782) 1.479 1.855 ( 1.230 0.000 0.665) 1.399 1.875 ( -0.400 0.000 -1.763) 1.808 1.953 ( -0.568 0.000 -2.202) 2.274 1.964 ( -2.500 0.000 1.482) 2.906 2.057 ( 0.902 0.000 1.150) 1.462 2.140 ( 0.091 0.000 0.361) 0.372 2.171 ( 0.387 0.000 1.422) 1.473 2.176 ( 0.570 0.000 -0.053) 0.573 2.332 ( 4.018 0.000 1.991) 4.484 2.438 ( -2.302 0.000 -0.533) 2.363 2.440 ( 0.629 0.000 -4.444) 4.488 2.681 ( 1.536 0.000 -2.196) 2.680 2.760 ( 1.438 0.000 0.761) 1.627 2.777 ( 2.808 0.000 -0.674) 2.888 2.840 ( 1.912 0.000 -2.580) 3.211 2.909 ( 4.319 0.000 -2.038) 4.776 2.916 ( -3.139 0.000 1.378) 3.428 3.025 ( 1.932 0.000 0.801) 2.092 3.230 ( -2.097 0.000 0.778) 2.237 3.241 ( -5.483 0.000 -1.825) 5.779 3.442 ( 0.567 0.000 2.170) 2.243 3.490 ( -0.862 0.000 1.610) 1.826 3.579 ( 0.399 0.000 0.113) 0.415 3.660 ( 0.212 0.000 -2.577) 2.585 4.365 ( 1.182 0.000 -0.445) 1.263 4.458 ( 0.242 0.000 0.186) 0.305 4.471 ( -1.736 0.000 1.479) 2.281 4.696 ( 1.516 0.000 -2.389) 2.830 5.882 ( -0.268 0.000 -0.332) 0.427 5.965 ( -0.156 0.000 -1.501) 1.510 6.114 ( 3.035 0.000 3.631) 4.732 6.200 ( 0.563 0.000 -0.353) 0.665 6.306 ( 0.096 0.000 1.398) 1.402 6.336 ( -0.543 0.000 1.961) 2.035 7.129 ( -0.576 0.000 0.582) 0.818 7.204 ( -0.221 0.000 -1.206) 1.226 7.295 ( 0.056 0.000 1.256) 1.257 7.354 ( -0.090 0.000 -0.037) 0.097 7.413 ( -0.105 0.000 -1.531) 1.535 7.427 ( 0.369 0.000 -1.307) 1.358 8.048 ( -0.521 0.000 -0.231) 0.570 8.099 ( 0.211 0.000 -0.878) 0.904 8.445 ( -0.275 0.000 1.029) 1.065 8.467 ( 0.099 0.000 0.536) 0.545 8.803 ( 4.712 0.000 1.155) 4.851 8.821 ( 0.660 0.000 -2.554) 2.638 8.864 ( 0.459 0.000 2.316) 2.361 9.032 ( 0.474 0.000 -1.514) 1.586 9.055 ( -0.379 0.000 10.700) 10.707 9.164 ( -0.229 0.000 0.502) 0.552 9.247 ( 0.269 0.000 -1.006) 1.041 9.302 ( -0.057 0.000 1.627) 1.628 9.668 ( -0.448 0.000 0.054) 0.452 9.681 ( -0.588 0.000 -0.341) 0.679 9.714 ( 2.153 0.000 3.391) 4.017 9.843 ( 1.041 0.000 -0.427) 1.125 10.759 ( -1.442 0.000 0.306) 1.474 10.862 ( 0.406 0.000 1.206) 1.272 11.012 ( 0.297 0.000 -2.727) 2.743 11.046 ( -6.427 0.000 -13.011) 14.511 ======================= Grid point 40 (18/64) ======================= q-point: ( 0.00 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.318 ( 0.365 9.046 6.769) 11.304 0.402 ( -4.826 12.547 7.214) 15.257 0.781 ( 4.039 15.869 13.699) 21.350 0.914 ( 0.063 1.493 1.444) 2.078 1.035 ( 1.977 2.569 -3.680) 4.904 1.044 ( 0.657 -0.104 0.865) 1.091 1.101 ( -0.156 1.742 -0.299) 1.774 1.145 ( -0.757 -0.846 -0.076) 1.137 1.185 ( 1.353 -0.091 1.819) 2.269 1.222 ( -0.626 0.185 -0.733) 0.982 1.271 ( -2.690 0.598 0.455) 2.793 1.381 ( -0.389 -2.280 0.233) 2.325 1.402 ( -0.570 -2.200 0.162) 2.278 1.427 ( 1.238 -2.225 -1.320) 2.868 1.486 ( 1.414 0.113 -1.426) 2.011 1.515 ( -0.615 -2.574 -0.864) 2.784 1.524 ( 0.645 -0.749 -1.169) 1.530 1.574 ( -1.115 -1.186 1.470) 2.194 1.604 ( -0.745 0.130 -0.565) 0.944 1.675 ( -0.039 0.110 0.235) 0.262 1.688 ( 0.123 0.382 0.168) 0.435 1.732 ( 1.430 -0.793 -1.305) 2.092 1.778 ( -0.571 -0.640 -0.686) 1.099 1.816 ( -0.777 0.909 -0.015) 1.196 1.872 ( 1.243 0.195 -0.482) 1.347 1.896 ( 0.760 0.550 -1.282) 1.588 1.932 ( -0.499 -0.046 1.111) 1.219 1.951 ( -1.268 0.461 -2.640) 2.965 2.070 ( 0.391 -2.835 0.155) 2.866 2.112 ( -0.141 1.379 0.937) 1.673 2.184 ( 0.029 0.512 0.366) 0.630 2.238 ( -0.195 2.641 2.112) 3.387 2.316 ( -2.270 1.652 -4.074) 4.948 2.424 ( 0.688 -0.946 -0.640) 1.333 2.502 ( 3.365 0.453 2.487) 4.209 2.664 ( 0.448 -3.160 -1.862) 3.695 2.726 ( 1.984 -4.650 -1.306) 5.221 2.773 ( 0.259 -1.963 -0.284) 2.000 2.843 ( -1.861 -1.527 2.507) 3.476 2.891 ( 0.483 1.119 0.349) 1.267 2.904 ( -0.794 1.559 0.573) 1.841 3.034 ( -2.542 1.074 -2.610) 3.798 3.113 ( 0.567 -3.694 0.890) 3.842 3.229 ( -1.036 0.052 -0.940) 1.400 3.420 ( -1.621 0.937 2.232) 2.914 3.498 ( 0.301 -0.568 2.729) 2.804 3.589 ( 0.316 0.481 -0.682) 0.892 3.661 ( 1.751 -1.367 -0.647) 2.314 4.390 ( 0.696 1.272 0.368) 1.495 4.443 ( -1.015 -0.194 1.298) 1.659 4.473 ( -0.673 1.442 0.302) 1.620 4.691 ( 1.026 -1.703 -1.965) 2.795 5.874 ( -0.244 0.147 -0.683) 0.740 5.939 ( 0.357 -0.919 -1.660) 1.931 6.055 ( -2.280 -2.570 4.007) 5.279 6.160 ( 0.248 -3.573 -0.166) 3.585 6.344 ( -0.437 5.782 2.048) 6.150 6.471 ( 0.162 9.261 -0.022) 9.262 7.114 ( -0.073 -3.591 0.283) 3.603 7.139 ( -0.312 -2.288 -0.061) 2.310 7.262 ( -0.839 -1.578 0.515) 1.860 7.402 ( -0.454 1.055 -1.663) 2.021 7.424 ( 0.866 0.019 -1.332) 1.588 7.448 ( 1.034 0.497 -1.449) 1.848 8.042 ( 0.139 0.369 0.649) 0.760 8.151 ( 0.587 3.819 -0.958) 3.981 8.384 ( -0.428 -4.451 1.010) 4.584 8.459 ( -0.358 -1.056 -0.708) 1.321 8.799 ( 0.204 -1.562 -2.554) 3.001 8.808 ( 0.150 -1.649 -0.270) 1.678 8.883 ( -0.097 2.779 0.313) 2.798 9.033 ( -0.053 -1.908 3.706) 4.169 9.058 ( 0.088 -1.980 2.701) 3.350 9.165 ( 0.109 -0.611 1.234) 1.381 9.251 ( -0.255 -4.518 1.036) 4.642 9.295 ( 0.442 -0.889 -2.088) 2.312 9.640 ( 0.310 -0.120 0.498) 0.599 9.660 ( -0.487 -0.470 0.224) 0.713 9.835 ( 0.335 6.963 1.738) 7.185 10.187 ( 0.984 7.197 -9.699) 12.117 10.784 ( 1.269 1.676 -0.197) 2.111 10.817 ( -1.294 3.902 -3.883) 5.655 10.869 ( -0.290 0.113 0.732) 0.796 10.997 ( 1.180 -1.880 -1.307) 2.575 ======================= Grid point 41 (19/64) ======================= q-point: ( 0.20 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.462 ( 6.662 5.544 7.910) 11.735 0.579 ( 12.362 3.691 9.057) 15.763 0.912 ( 0.451 0.884 1.801) 2.056 0.950 ( 2.536 2.945 1.147) 4.052 1.045 ( -0.529 1.062 -1.326) 1.779 1.066 ( 0.772 -1.045 0.401) 1.360 1.095 ( 0.202 1.256 -2.394) 2.711 1.149 ( -3.336 2.022 1.051) 4.040 1.190 ( 0.954 1.359 1.740) 2.406 1.224 ( 1.025 0.892 -1.470) 2.002 1.268 ( 4.615 4.455 6.663) 9.249 1.367 ( -0.302 -2.270 -1.422) 2.695 1.402 ( 0.903 -2.424 -0.328) 2.607 1.455 ( 0.461 -3.649 -2.186) 4.279 1.479 ( 0.723 -4.249 -2.678) 5.074 1.508 ( 0.990 -2.056 -1.082) 2.525 1.543 ( 1.911 -0.954 -0.617) 2.223 1.567 ( -0.806 -1.184 0.497) 1.517 1.603 ( 0.798 0.253 0.382) 0.920 1.675 ( 0.614 -0.604 -1.019) 1.334 1.692 ( -0.321 1.935 1.177) 2.287 1.758 ( 0.555 -0.979 1.143) 1.604 1.768 ( -0.292 0.024 0.903) 0.949 1.798 ( -0.944 -1.278 -0.277) 1.613 1.872 ( -1.975 0.595 -2.185) 3.004 1.896 ( 0.932 0.698 -0.314) 1.206 1.921 ( 0.304 0.244 -1.655) 1.701 1.944 ( 0.387 0.031 3.104) 3.128 2.085 ( 1.042 -1.940 0.682) 2.306 2.109 ( 0.343 4.348 -1.397) 4.580 2.164 ( -2.108 1.178 -0.224) 2.425 2.235 ( -1.417 4.259 -1.696) 4.798 2.243 ( -1.529 4.712 -0.084) 4.955 2.426 ( -1.150 -1.888 -1.216) 2.523 2.549 ( 0.023 -0.850 1.759) 1.954 2.658 ( -0.070 -3.214 -1.278) 3.460 2.736 ( -2.768 -1.228 -1.680) 3.463 2.753 ( 1.254 -2.680 -2.002) 3.573 2.813 ( -1.954 0.226 1.933) 2.758 2.903 ( -0.066 -0.516 1.571) 1.654 2.923 ( 0.008 0.329 -0.559) 0.648 2.964 ( -0.576 1.712 -1.120) 2.125 3.156 ( 1.282 -3.406 -0.095) 3.641 3.212 ( 1.356 -1.452 -0.248) 2.002 3.398 ( -1.649 1.187 1.792) 2.709 3.517 ( -0.127 -1.806 1.992) 2.692 3.608 ( 1.839 0.903 -0.355) 2.079 3.685 ( 0.613 -1.075 -0.648) 1.397 4.381 ( -1.930 0.831 1.197) 2.419 4.436 ( -0.253 -0.301 -0.050) 0.396 4.474 ( 0.654 1.425 0.559) 1.664 4.690 ( -0.001 -1.416 -1.964) 2.421 5.868 ( 0.155 0.131 -0.649) 0.680 5.943 ( 0.925 -0.653 -1.617) 1.974 6.037 ( -1.368 -0.707 3.382) 3.716 6.158 ( -0.302 -3.567 0.001) 3.580 6.346 ( -0.535 5.677 1.911) 6.014 6.472 ( -0.057 9.285 0.051) 9.285 7.114 ( -0.123 -5.133 0.194) 5.139 7.137 ( 0.174 -1.316 -0.020) 1.328 7.253 ( -0.239 -0.714 0.535) 0.924 7.390 ( -0.140 0.864 -0.483) 0.999 7.430 ( 0.554 0.253 -1.662) 1.771 7.450 ( 0.145 0.056 -1.215) 1.225 8.054 ( 0.460 0.012 0.779) 0.905 8.158 ( 0.720 3.600 -1.104) 3.834 8.376 ( -0.791 -3.818 0.912) 4.004 8.446 ( -0.432 -1.009 -0.626) 1.263 8.774 ( -0.674 -0.264 -3.179) 3.261 8.805 ( 0.456 -0.398 -1.751) 1.853 8.883 ( -0.190 2.661 0.839) 2.796 9.044 ( 0.423 0.814 -0.819) 1.230 9.079 ( -1.417 -6.613 6.707) 9.525 9.173 ( -0.149 -0.733 1.409) 1.595 9.247 ( -0.601 -4.850 0.677) 4.933 9.281 ( -0.380 -0.433 -1.434) 1.545 9.658 ( 0.332 0.329 0.008) 0.468 9.663 ( 1.085 0.300 1.080) 1.560 9.838 ( -0.896 6.518 1.350) 6.717 10.025 ( -7.646 9.384 -3.762) 12.676 10.766 ( 0.514 1.085 0.177) 1.214 10.855 ( -1.025 -0.110 0.558) 1.172 10.926 ( 6.643 0.225 -5.774) 8.805 11.031 ( 2.711 -2.144 -1.200) 3.659 ======================= Grid point 42 (20/64) ======================= q-point: ( 0.40 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( 2.973 4.675 6.388) 8.456 0.851 ( 7.055 2.531 4.505) 8.745 0.894 ( -0.985 0.711 1.063) 1.614 0.936 ( -3.401 0.448 -0.878) 3.541 0.997 ( -2.053 2.440 -0.950) 3.327 1.034 ( -2.221 1.167 -0.121) 2.512 1.084 ( 0.337 1.489 -2.846) 3.230 1.116 ( 1.311 -0.689 1.155) 1.878 1.221 ( 0.170 -1.321 -1.548) 2.042 1.257 ( 1.658 -0.076 2.709) 3.177 1.359 ( 0.785 -1.600 -2.260) 2.878 1.396 ( 0.423 -1.817 -0.746) 2.009 1.407 ( -0.224 -3.124 -2.406) 3.949 1.443 ( 1.430 0.134 1.018) 1.760 1.496 ( -0.063 -3.052 -0.836) 3.165 1.541 ( 2.129 -0.254 -0.644) 2.239 1.563 ( 0.074 -1.010 1.055) 1.462 1.567 ( 1.904 -2.882 -1.463) 3.751 1.659 ( 3.568 -1.405 1.591) 4.151 1.679 ( 0.212 -0.088 -0.997) 1.023 1.690 ( -0.729 0.737 1.565) 1.877 1.730 ( -2.526 -1.783 -0.441) 3.123 1.774 ( -1.482 -1.405 2.754) 3.429 1.786 ( 0.268 0.478 0.306) 0.627 1.844 ( 0.230 0.521 -1.320) 1.438 1.894 ( -1.504 0.003 0.301) 1.534 1.939 ( 2.648 1.039 -0.230) 2.853 1.972 ( 0.135 0.296 2.989) 3.006 2.094 ( -0.000 6.076 -4.692) 7.677 2.126 ( 1.280 2.469 1.800) 3.313 2.133 ( -1.389 1.741 -0.388) 2.261 2.171 ( -1.253 2.722 -0.126) 2.999 2.237 ( -0.419 6.021 0.618) 6.067 2.378 ( -0.877 1.328 -1.428) 2.138 2.539 ( -1.708 -1.468 1.003) 2.465 2.651 ( 0.520 -2.786 -1.090) 3.036 2.678 ( -1.560 -1.815 -1.754) 2.967 2.747 ( -0.382 -1.706 -2.470) 3.027 2.799 ( 0.075 1.047 0.453) 1.143 2.869 ( -1.516 1.488 -0.795) 2.268 2.934 ( 0.601 -2.055 1.948) 2.895 2.980 ( 0.222 0.285 0.119) 0.381 3.163 ( 1.046 -3.061 0.710) 3.312 3.278 ( 2.840 -3.000 1.122) 4.281 3.379 ( -1.107 0.784 1.961) 2.384 3.514 ( -0.804 -2.523 0.773) 2.759 3.644 ( 1.629 0.184 -1.056) 1.950 3.671 ( -1.279 0.009 -1.440) 1.926 4.350 ( -1.519 0.800 1.346) 2.182 4.432 ( 0.227 -0.308 -0.491) 0.623 4.491 ( 0.358 0.649 0.706) 1.024 4.674 ( -0.097 -1.304 -1.997) 2.387 5.873 ( 0.518 -0.015 -0.242) 0.572 5.951 ( 0.646 -0.893 -1.134) 1.581 6.038 ( -0.383 -0.243 2.444) 2.485 6.151 ( -0.350 -3.240 -0.045) 3.260 6.344 ( -0.653 5.698 1.671) 5.974 6.470 ( -0.180 9.376 0.051) 9.378 7.113 ( -0.031 -5.987 0.316) 5.995 7.142 ( 0.207 -1.259 0.060) 1.277 7.260 ( 0.344 -0.053 1.147) 1.199 7.385 ( -0.204 0.719 -0.224) 0.780 7.427 ( 0.434 0.159 -2.084) 2.135 7.446 ( 0.166 0.254 -1.002) 1.047 8.063 ( -0.095 -0.173 0.286) 0.348 8.162 ( 0.342 3.471 -1.700) 3.880 8.371 ( -0.317 -3.758 1.524) 4.067 8.441 ( 0.214 -1.002 0.153) 1.036 8.746 ( -0.094 0.584 -2.950) 3.008 8.807 ( 0.754 -0.389 -1.654) 1.859 8.884 ( -0.239 2.532 0.830) 2.675 9.046 ( 0.443 1.301 -1.274) 1.874 9.075 ( -2.621 -4.950 5.947) 8.169 9.173 ( -0.542 -0.534 0.940) 1.209 9.238 ( -0.418 -4.601 0.219) 4.625 9.272 ( 0.132 -0.101 -0.910) 0.925 9.665 ( 0.215 0.515 0.207) 0.596 9.692 ( 0.696 2.014 1.391) 2.544 9.819 ( -1.265 6.600 -0.087) 6.720 9.906 ( -2.410 6.049 -1.187) 6.619 10.791 ( 1.225 0.217 0.712) 1.434 10.833 ( -1.242 -0.135 0.436) 1.323 10.989 ( 3.008 -0.931 -4.387) 5.400 11.072 ( 1.952 -2.478 -2.127) 3.805 ======================= Grid point 43 (21/64) ======================= q-point: (-0.40 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( -7.791 6.884 3.803) 11.070 0.728 ( -10.611 7.050 1.822) 12.870 0.905 ( -0.090 0.138 0.589) 0.612 0.995 ( 2.637 0.791 -0.817) 2.872 1.017 ( 2.635 1.497 -0.667) 3.103 1.035 ( -0.197 2.338 1.860) 2.994 1.087 ( 0.889 2.449 -0.973) 2.781 1.146 ( 0.731 -0.729 1.451) 1.781 1.198 ( -1.166 -2.376 -1.201) 2.907 1.248 ( -8.103 1.571 -1.006) 8.315 1.327 ( -1.609 2.313 0.606) 2.882 1.369 ( 0.045 -1.050 0.557) 1.190 1.383 ( 0.100 -3.251 -1.198) 3.466 1.441 ( -0.137 -0.276 -1.167) 1.207 1.476 ( -0.923 -0.363 -2.368) 2.567 1.543 ( -0.090 -0.484 -1.273) 1.365 1.561 ( -0.083 -0.053 0.839) 0.844 1.597 ( -0.470 -1.807 -0.692) 1.991 1.658 ( -1.349 0.595 0.378) 1.523 1.702 ( 0.275 -2.345 0.544) 2.423 1.708 ( -0.783 0.556 0.254) 0.994 1.724 ( 2.166 -0.389 1.315) 2.563 1.745 ( -1.730 0.593 -0.657) 1.943 1.803 ( 2.500 -1.279 -0.058) 2.809 1.849 ( -0.367 0.021 -0.161) 0.402 1.869 ( 0.429 -1.410 0.873) 1.714 1.972 ( -0.592 -0.109 -0.377) 0.710 1.986 ( -0.486 -0.497 2.677) 2.766 2.066 ( -0.325 -0.626 -0.664) 0.969 2.086 ( -0.176 3.077 -2.503) 3.970 2.153 ( 0.876 1.724 1.097) 2.223 2.215 ( 0.456 3.587 0.208) 3.622 2.252 ( 3.276 3.644 1.436) 5.106 2.399 ( 2.426 0.762 -0.739) 2.648 2.493 ( -2.552 -1.159 -1.046) 2.992 2.654 ( 0.356 -1.855 -1.577) 2.461 2.682 ( 2.602 -2.406 -0.870) 3.649 2.721 ( -0.171 -2.730 -2.181) 3.498 2.824 ( 2.019 1.889 0.330) 2.785 2.861 ( 0.731 1.957 -0.151) 2.095 2.939 ( -1.211 -2.369 1.004) 2.844 2.985 ( 0.944 -0.418 0.650) 1.220 3.206 ( 1.249 -3.102 2.181) 3.992 3.290 ( -2.114 -3.882 0.200) 4.425 3.396 ( 1.152 0.722 3.026) 3.317 3.500 ( -0.937 -1.291 0.597) 1.704 3.617 ( -1.974 1.196 -2.268) 3.235 3.660 ( 0.353 -0.843 -1.969) 2.171 4.344 ( 0.309 0.682 1.026) 1.270 4.440 ( 0.601 -0.562 -0.029) 0.824 4.494 ( -0.472 0.662 0.861) 1.184 4.669 ( 0.829 -1.431 -2.222) 2.770 5.882 ( 0.288 -0.097 0.012) 0.304 5.953 ( 0.140 -1.305 -0.852) 1.564 6.048 ( -0.147 -0.608 2.582) 2.656 6.147 ( 0.121 -3.054 -0.226) 3.065 6.341 ( -0.625 5.836 1.670) 6.103 6.467 ( -0.057 9.365 0.037) 9.365 7.116 ( 0.013 -5.196 0.343) 5.207 7.145 ( 0.053 -2.089 0.154) 2.095 7.275 ( 0.126 -0.489 1.583) 1.662 7.382 ( 0.354 0.949 -0.403) 1.090 7.426 ( 0.523 0.206 -1.612) 1.708 7.441 ( 0.056 0.508 -1.797) 1.869 8.055 ( -0.650 0.053 0.043) 0.654 8.153 ( -0.026 3.579 -1.809) 4.010 8.380 ( 0.128 -4.237 1.466) 4.485 8.454 ( 0.612 -1.059 0.485) 1.316 8.741 ( 0.849 0.531 -0.895) 1.342 8.812 ( 0.612 -0.517 -1.680) 1.861 8.883 ( -0.207 2.489 0.481) 2.543 9.047 ( 0.127 0.852 -0.765) 1.153 9.051 ( -2.536 -2.225 4.412) 5.554 9.165 ( -0.616 -0.453 0.504) 0.916 9.236 ( 0.112 -4.026 0.366) 4.045 9.274 ( 0.613 0.204 -0.934) 1.136 9.662 ( -0.743 0.313 0.341) 0.875 9.697 ( -1.016 1.895 1.178) 2.452 9.797 ( -0.147 6.635 -0.581) 6.662 9.918 ( 3.920 6.570 -0.712) 7.684 10.792 ( -1.500 0.150 0.584) 1.617 10.837 ( 1.103 -0.167 0.821) 1.385 11.004 ( 0.825 -1.279 -3.127) 3.477 11.078 ( 0.003 -3.526 -3.799) 5.183 ======================= Grid point 44 (22/64) ======================= q-point: (-0.20 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.413 ( -9.743 8.976 1.806) 13.371 0.581 ( -8.493 12.443 8.241) 17.172 0.795 ( -14.480 12.243 3.689) 19.318 0.915 ( -1.436 1.914 0.757) 2.509 1.023 ( 0.821 0.597 -1.080) 1.482 1.039 ( 0.820 1.616 -2.481) 3.072 1.101 ( 0.367 3.211 -0.905) 3.356 1.165 ( -0.386 -1.952 0.617) 2.083 1.169 ( -0.404 -0.787 0.472) 1.002 1.207 ( 2.214 0.039 1.933) 2.939 1.301 ( -1.523 2.097 -0.388) 2.620 1.379 ( -0.334 -0.642 2.361) 2.469 1.398 ( 0.841 -4.535 0.342) 4.625 1.437 ( -0.316 0.485 -1.302) 1.425 1.454 ( 1.250 0.490 -2.026) 2.430 1.524 ( -0.551 -1.318 -0.950) 1.715 1.546 ( -1.616 0.033 -0.887) 1.843 1.593 ( 0.082 -0.527 1.575) 1.662 1.626 ( -1.886 -0.442 -0.533) 2.009 1.674 ( -0.726 1.765 0.441) 1.959 1.693 ( -0.343 -3.287 -0.695) 3.377 1.730 ( -0.070 -0.089 -1.700) 1.704 1.781 ( 1.169 -0.390 0.306) 1.270 1.825 ( -0.083 0.879 -0.147) 0.895 1.865 ( 0.838 0.127 -0.242) 0.881 1.880 ( 0.765 0.076 -0.580) 0.963 1.942 ( -0.386 -0.471 -1.658) 1.766 1.974 ( -1.136 0.345 0.215) 1.206 2.070 ( -0.468 -2.095 0.610) 2.232 2.093 ( 1.271 1.006 1.036) 1.924 2.173 ( 0.590 0.946 0.595) 1.264 2.221 ( 0.354 1.989 1.442) 2.482 2.334 ( 2.660 -0.792 0.007) 2.775 2.429 ( 1.347 0.962 0.826) 1.850 2.441 ( -1.021 -0.298 -2.988) 3.172 2.661 ( 1.065 -2.245 -2.209) 3.325 2.701 ( 1.016 -3.523 -1.462) 3.947 2.747 ( 2.156 -3.031 -0.488) 3.751 2.863 ( -0.912 -1.066 2.186) 2.597 2.871 ( 1.171 1.138 0.180) 1.642 2.924 ( -0.169 0.117 -0.792) 0.819 3.026 ( 2.361 0.468 0.572) 2.474 3.178 ( -4.643 -4.774 -0.949) 6.727 3.252 ( -1.132 -0.225 0.659) 1.329 3.428 ( -0.301 0.218 2.903) 2.927 3.487 ( -0.710 -0.149 1.570) 1.729 3.588 ( 0.173 0.592 -0.760) 0.979 3.647 ( 0.174 -1.174 -2.273) 2.564 4.367 ( 1.201 0.768 0.371) 1.474 4.450 ( -0.054 -0.555 0.708) 0.901 4.486 ( -0.835 1.151 0.956) 1.714 4.678 ( 1.329 -1.694 -2.259) 3.121 5.882 ( -0.170 0.003 -0.283) 0.330 5.947 ( -0.140 -1.431 -1.239) 1.898 6.062 ( -0.598 -2.334 3.679) 4.398 6.152 ( 0.496 -3.264 -0.282) 3.313 6.341 ( -0.481 5.877 1.909) 6.198 6.468 ( 0.105 9.264 -0.023) 9.264 7.115 ( -0.193 -3.646 0.238) 3.659 7.145 ( -0.194 -2.958 0.116) 2.966 7.276 ( -0.821 -1.585 1.040) 2.066 7.403 ( 1.779 0.724 -0.592) 2.010 7.423 ( -0.229 0.750 -2.142) 2.281 7.433 ( 0.788 0.738 -1.492) 1.842 8.043 ( -0.458 0.406 0.277) 0.672 8.146 ( 0.398 3.825 -1.253) 4.045 8.385 ( -0.364 -4.663 1.066) 4.797 8.464 ( 0.198 -1.096 -0.092) 1.118 8.773 ( 1.892 -1.527 1.729) 2.984 8.810 ( 0.359 -0.661 -2.064) 2.197 8.883 ( -0.068 2.700 0.229) 2.711 9.025 ( -2.197 -1.005 4.966) 5.522 9.050 ( 0.414 0.817 -0.821) 1.230 9.159 ( -0.225 -0.464 0.711) 0.879 9.245 ( 0.221 -4.067 0.879) 4.167 9.286 ( 1.253 0.322 -1.591) 2.051 9.645 ( -0.852 -0.259 0.268) 0.930 9.676 ( -1.219 0.251 0.461) 1.327 9.810 ( 1.020 7.226 0.890) 7.351 10.052 ( 10.250 10.084 -2.870) 14.663 10.766 ( -0.843 0.825 0.150) 1.190 10.861 ( 0.557 -0.110 0.973) 1.127 10.992 ( -3.668 -2.431 -5.127) 6.757 10.998 ( -2.075 -2.311 -3.863) 4.957 ======================= Grid point 45 (23/64) ======================= q-point: ( 0.00 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.568 ( 0.491 12.488 0.116) 12.498 0.704 ( -5.032 15.810 -0.919) 16.617 0.907 ( 0.380 -1.088 1.462) 1.862 1.006 ( 0.407 2.627 -0.669) 2.741 1.051 ( -0.364 1.460 -0.229) 1.522 1.074 ( -0.457 0.749 -0.336) 0.939 1.116 ( -0.239 -0.157 -0.906) 0.950 1.178 ( -0.722 3.253 -0.280) 3.344 1.211 ( 1.274 2.234 2.787) 3.793 1.245 ( 1.433 1.337 -2.611) 3.265 1.302 ( -0.085 -3.005 1.114) 3.206 1.309 ( -1.840 2.116 -0.196) 2.811 1.359 ( -1.032 -3.148 -0.898) 3.432 1.387 ( 0.160 -2.602 -2.666) 3.729 1.444 ( -1.426 -2.154 -3.400) 4.270 1.466 ( -0.010 -1.436 -0.852) 1.670 1.522 ( -0.404 -1.858 0.332) 1.930 1.533 ( 1.149 -1.198 -1.009) 1.942 1.614 ( -0.911 2.788 2.597) 3.918 1.676 ( 0.169 0.295 -0.382) 0.511 1.712 ( -0.211 -0.161 0.599) 0.655 1.749 ( 1.881 3.481 -0.059) 3.957 1.777 ( -0.410 0.735 0.208) 0.867 1.804 ( -1.688 -1.599 -0.444) 2.368 1.870 ( -0.176 -0.588 -0.422) 0.745 1.905 ( 0.685 -0.277 -0.862) 1.135 1.920 ( 0.408 -1.167 -1.359) 1.837 1.949 ( -1.113 -0.251 -0.371) 1.200 2.027 ( 1.443 -0.438 2.418) 2.850 2.139 ( 1.043 -2.286 2.845) 3.796 2.198 ( 0.464 2.481 1.759) 3.076 2.272 ( 2.219 -0.668 2.660) 3.528 2.355 ( 0.052 4.426 -1.152) 4.574 2.428 ( 0.100 1.085 -1.845) 2.143 2.498 ( 1.073 -1.099 1.802) 2.368 2.587 ( 0.905 -4.228 -1.922) 4.732 2.642 ( 1.502 -3.244 -1.688) 3.953 2.709 ( 0.287 -4.123 1.126) 4.284 2.826 ( -1.351 0.430 2.206) 2.622 2.885 ( -0.428 -0.987 0.656) 1.260 2.955 ( -0.127 2.321 0.464) 2.371 3.033 ( -0.564 -2.476 0.202) 2.548 3.081 ( -0.950 2.181 -1.357) 2.739 3.203 ( -1.442 -2.333 -1.419) 3.088 3.449 ( -0.969 1.600 0.864) 2.060 3.486 ( -0.426 -0.531 1.600) 1.739 3.595 ( 0.724 0.119 -0.794) 1.081 3.626 ( 1.459 -1.793 -0.588) 2.385 4.417 ( 0.238 1.131 0.823) 1.419 4.439 ( -0.574 -0.254 0.934) 1.125 4.514 ( -0.116 2.630 -0.080) 2.634 4.642 ( 0.870 -3.002 -1.375) 3.414 5.878 ( -0.175 0.373 -0.444) 0.606 5.916 ( 0.350 -1.274 -1.057) 1.692 6.037 ( -0.654 0.337 1.524) 1.693 6.098 ( 0.163 -2.446 -0.388) 2.482 6.513 ( -0.551 10.374 1.530) 10.501 6.679 ( 0.356 10.863 -1.047) 10.919 6.964 ( -0.479 -9.725 0.594) 9.755 7.066 ( 0.235 -6.263 -0.911) 6.333 7.266 ( -0.345 2.200 1.023) 2.451 7.397 ( 0.345 -2.623 -0.132) 2.648 7.419 ( 0.203 0.809 -1.667) 1.864 7.448 ( 0.450 -0.305 -1.166) 1.286 8.076 ( -0.182 3.002 0.972) 3.161 8.233 ( 0.228 2.747 -1.625) 3.200 8.284 ( 0.054 -3.699 1.530) 4.004 8.417 ( -0.017 -3.035 -1.306) 3.304 8.774 ( 0.519 -0.424 -0.875) 1.102 8.790 ( 0.330 -0.752 -1.661) 1.853 8.937 ( -0.509 2.427 0.652) 2.564 9.017 ( -0.539 0.196 1.823) 1.911 9.062 ( 0.293 0.158 -0.376) 0.502 9.135 ( 0.150 -2.224 0.202) 2.238 9.193 ( -0.323 -0.155 0.277) 0.453 9.266 ( 0.062 -1.931 -1.219) 2.284 9.645 ( 0.448 0.314 0.661) 0.858 9.653 ( -0.422 -0.235 0.326) 0.583 9.991 ( 0.194 7.772 0.427) 7.786 10.217 ( 0.165 -2.183 -3.800) 4.385 10.828 ( 0.710 2.500 -0.154) 2.604 10.862 ( -0.655 0.921 -2.084) 2.371 10.872 ( 0.288 0.260 0.008) 0.388 10.948 ( 0.755 -2.748 -0.912) 2.993 ======================= Grid point 46 (24/64) ======================= q-point: ( 0.20 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( 5.094 10.637 1.099) 11.845 0.739 ( 6.445 10.413 3.896) 12.851 0.914 ( -0.402 -0.829 1.113) 1.445 1.004 ( -0.369 1.584 -1.903) 2.503 1.046 ( 0.390 -0.785 -1.319) 1.584 1.062 ( -0.458 0.550 -0.911) 1.158 1.122 ( 1.511 -0.672 0.451) 1.715 1.151 ( -1.018 0.322 -4.955) 5.068 1.194 ( -1.667 -1.429 -0.124) 2.199 1.262 ( -0.461 2.111 -1.523) 2.643 1.291 ( 0.918 -3.972 0.255) 4.085 1.311 ( 0.247 -3.783 -1.312) 4.012 1.338 ( 0.631 -0.924 1.144) 1.600 1.388 ( 0.438 -3.668 -1.354) 3.934 1.417 ( 0.490 -0.230 -2.584) 2.640 1.473 ( 1.059 -1.379 -0.170) 1.747 1.536 ( 1.121 -0.923 0.419) 1.511 1.563 ( 1.297 0.306 -1.029) 1.684 1.605 ( -0.772 2.402 1.660) 3.020 1.679 ( -0.031 0.338 0.123) 0.361 1.714 ( -0.073 -1.623 0.621) 1.739 1.739 ( -2.104 0.035 -1.334) 2.491 1.783 ( 0.233 1.197 0.483) 1.311 1.788 ( 0.335 1.540 1.285) 2.034 1.851 ( -1.370 -2.024 -1.448) 2.841 1.891 ( -0.330 -1.798 -0.229) 1.842 1.935 ( 1.440 1.464 -0.452) 2.103 1.951 ( 0.602 0.776 1.836) 2.082 2.100 ( 3.577 3.049 4.740) 6.676 2.186 ( 1.559 1.453 1.061) 2.381 2.214 ( 0.753 4.400 0.660) 4.512 2.305 ( -0.777 1.327 -0.662) 1.674 2.362 ( 1.291 6.858 0.969) 7.045 2.421 ( 0.096 1.096 -1.482) 1.846 2.512 ( -0.583 -2.480 1.207) 2.819 2.594 ( 0.456 -2.777 -1.982) 3.442 2.675 ( 2.336 -4.839 -1.536) 5.589 2.687 ( -2.484 -3.226 -0.648) 4.123 2.809 ( -1.508 0.059 2.648) 3.048 2.879 ( -0.651 -1.853 1.690) 2.591 2.951 ( -1.300 2.237 -0.048) 2.588 3.006 ( -1.144 2.602 -0.868) 2.972 3.075 ( 0.355 -3.889 0.410) 3.926 3.165 ( -0.301 -3.260 -1.208) 3.489 3.425 ( -1.628 1.407 0.598) 2.234 3.478 ( -1.067 -1.693 0.854) 2.176 3.619 ( 1.778 0.234 -0.800) 1.963 3.654 ( 1.312 -1.714 -0.441) 2.203 4.403 ( -1.826 1.139 1.164) 2.447 4.430 ( -0.614 -0.307 0.299) 0.749 4.516 ( 0.294 2.708 -0.088) 2.725 4.644 ( 0.099 -2.927 -1.342) 3.221 5.874 ( 0.058 0.479 -0.489) 0.687 5.919 ( 0.427 -1.530 -0.783) 1.771 6.037 ( -0.119 0.664 1.132) 1.318 6.099 ( 0.087 -2.329 -0.304) 2.350 6.510 ( -0.679 9.987 1.515) 10.124 6.680 ( 0.421 10.829 -1.052) 10.888 6.953 ( -0.805 -9.732 0.652) 9.787 7.069 ( 0.568 -6.174 -0.987) 6.279 7.271 ( 0.145 2.538 0.980) 2.724 7.394 ( -0.316 -1.458 -0.164) 1.501 7.422 ( 0.840 0.052 -1.711) 1.907 7.447 ( 0.262 -0.286 -0.939) 1.016 8.082 ( 0.021 2.754 1.142) 2.981 8.231 ( 0.509 1.772 -1.569) 2.420 8.290 ( -0.396 -2.830 1.257) 3.122 8.407 ( -0.166 -2.768 -1.230) 3.033 8.771 ( 0.206 0.035 -2.214) 2.224 8.791 ( 0.565 -0.827 -1.217) 1.576 8.933 ( -0.468 2.096 1.443) 2.587 9.017 ( -0.572 -0.225 1.930) 2.025 9.065 ( 0.184 0.123 -0.580) 0.621 9.140 ( 0.179 -2.479 0.097) 2.488 9.185 ( -0.498 -0.095 0.184) 0.540 9.258 ( -0.097 -1.808 -0.981) 2.059 9.662 ( 1.028 0.615 0.463) 1.284 9.680 ( 2.296 0.434 0.794) 2.468 9.975 ( -1.834 6.502 0.377) 6.766 10.123 ( -5.907 0.822 -2.926) 6.643 10.798 ( -0.781 1.889 -0.010) 2.044 10.851 ( -1.216 -0.391 0.161) 1.287 10.929 ( 4.043 0.186 -2.638) 4.831 10.981 ( 2.489 -2.489 -0.736) 3.596 ======================= Grid point 47 (25/64) ======================= q-point: ( 0.40 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 3.600 7.193 3.246) 8.674 0.902 ( 2.329 1.448 1.331) 3.048 0.915 ( 3.275 2.248 2.359) 4.620 0.981 ( -0.641 3.150 -0.306) 3.229 1.037 ( -1.974 0.534 -2.060) 2.903 1.051 ( 0.359 0.847 0.019) 0.920 1.096 ( 0.780 0.139 -2.475) 2.599 1.139 ( -0.741 1.958 -0.579) 2.172 1.211 ( -0.002 1.457 -1.327) 1.971 1.235 ( 1.958 -2.231 2.506) 3.885 1.302 ( -0.217 -4.655 -0.143) 4.663 1.310 ( 0.525 -3.884 -1.219) 4.104 1.394 ( 1.888 -1.379 -0.097) 2.340 1.404 ( 1.798 -2.232 0.015) 2.866 1.421 ( 1.016 -2.850 0.886) 3.153 1.499 ( 1.555 -2.802 -0.656) 3.272 1.533 ( -0.827 0.198 0.317) 0.908 1.571 ( 0.147 -0.131 -0.054) 0.204 1.612 ( 0.431 -0.683 -0.607) 1.010 1.673 ( -0.018 -0.752 0.040) 0.753 1.705 ( -0.767 -0.756 0.610) 1.238 1.714 ( -0.323 0.014 1.480) 1.515 1.771 ( -1.393 -0.241 -0.040) 1.414 1.787 ( 0.035 0.106 0.598) 0.608 1.844 ( 0.562 0.084 -1.512) 1.615 1.884 ( -0.682 -0.915 0.362) 1.197 1.965 ( 1.211 1.299 0.009) 1.776 1.977 ( 0.444 0.521 1.854) 1.976 2.184 ( -1.732 3.586 -1.049) 4.118 2.211 ( 3.349 5.039 2.466) 6.534 2.228 ( -3.413 5.458 -3.458) 7.308 2.248 ( 0.365 4.033 -0.576) 4.090 2.380 ( -0.423 7.393 -0.673) 7.435 2.417 ( 0.675 2.256 -1.632) 2.865 2.496 ( -1.303 -2.235 0.757) 2.696 2.584 ( 0.478 -3.541 -1.718) 3.965 2.630 ( -1.459 -2.625 -1.847) 3.525 2.689 ( -0.092 -3.950 -2.613) 4.737 2.809 ( 0.051 0.165 3.005) 3.010 2.879 ( -0.927 -3.058 2.512) 4.065 2.922 ( -0.567 2.823 0.624) 2.946 2.991 ( -0.638 1.872 -0.631) 2.076 3.075 ( 0.675 -5.110 1.262) 5.306 3.190 ( 1.328 -5.364 0.509) 5.549 3.404 ( -0.633 1.432 1.183) 1.963 3.464 ( -0.406 -2.076 0.774) 2.252 3.643 ( 1.015 -0.149 -1.458) 1.783 3.663 ( -0.134 -0.807 -1.077) 1.352 4.374 ( -1.352 1.453 0.981) 2.214 4.421 ( -0.213 -0.785 -0.123) 0.822 4.521 ( 0.108 2.202 0.018) 2.205 4.633 ( -0.134 -2.638 -1.509) 3.043 5.876 ( 0.360 0.391 -0.268) 0.596 5.922 ( 0.224 -1.723 -0.482) 1.803 6.043 ( 0.030 0.675 0.764) 1.020 6.098 ( 0.052 -2.015 -0.287) 2.036 6.506 ( -0.534 9.817 1.606) 9.962 6.682 ( 0.347 11.096 -1.081) 11.154 6.945 ( -0.391 -9.853 1.034) 9.915 7.074 ( 0.502 -6.113 -1.074) 6.227 7.281 ( 0.092 2.276 1.078) 2.520 7.385 ( -0.387 -1.276 -0.421) 1.398 7.428 ( 0.740 0.359 -1.665) 1.857 7.448 ( 0.278 -0.172 -0.810) 0.874 8.087 ( -0.244 2.624 0.976) 2.810 8.234 ( 0.694 2.207 -1.658) 2.846 8.284 ( -0.703 -3.245 1.081) 3.492 8.402 ( 0.338 -2.782 -0.673) 2.882 8.761 ( 0.236 0.808 -2.284) 2.434 8.796 ( 0.592 -0.805 -1.334) 1.667 8.935 ( -0.311 2.043 1.686) 2.667 9.017 ( -0.608 -0.776 2.030) 2.257 9.063 ( 0.086 -0.032 -0.831) 0.836 9.143 ( 0.072 -2.443 -0.257) 2.458 9.179 ( -0.225 0.062 0.495) 0.547 9.254 ( 0.207 -1.693 -0.592) 1.805 9.689 ( 0.896 1.828 0.399) 2.075 9.732 ( 1.737 1.029 0.907) 2.213 9.937 ( -1.453 4.865 -0.361) 5.090 10.001 ( -3.494 2.646 -1.287) 4.568 10.800 ( 0.492 0.651 0.388) 0.903 10.828 ( -1.003 -0.421 0.178) 1.102 10.974 ( 1.894 -0.345 -2.316) 3.012 11.018 ( 1.419 -2.482 -1.540) 3.247 ======================= Grid point 48 (26/64) ======================= q-point: (-0.40 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( -4.881 7.680 1.059) 9.161 0.886 ( -2.935 3.992 1.416) 5.153 0.924 ( -2.390 5.068 2.759) 6.246 1.012 ( 2.481 0.983 -0.577) 2.730 1.047 ( 2.337 1.214 -0.843) 2.765 1.076 ( 2.025 1.431 1.272) 2.787 1.107 ( -0.307 -0.301 2.599) 2.635 1.163 ( 2.905 1.622 -1.571) 3.679 1.176 ( -1.635 0.968 0.132) 1.904 1.276 ( -1.413 -0.399 -3.067) 3.400 1.294 ( -0.129 -3.778 0.628) 3.832 1.328 ( 1.311 -2.784 0.817) 3.184 1.377 ( -0.980 1.465 0.084) 1.764 1.435 ( -0.418 -2.352 1.051) 2.610 1.455 ( 1.183 0.387 0.830) 1.496 1.506 ( -0.490 -1.436 -0.487) 1.593 1.537 ( -0.272 -3.142 2.011) 3.740 1.584 ( 0.822 -0.238 -0.425) 0.955 1.625 ( 1.403 -1.930 -0.454) 2.429 1.679 ( -1.146 0.664 1.855) 2.279 1.691 ( 0.530 -1.698 0.451) 1.836 1.750 ( 1.213 -0.904 1.447) 2.093 1.760 ( -0.034 1.631 -1.120) 1.979 1.793 ( 2.127 0.714 -0.609) 2.325 1.848 ( -2.882 0.490 -0.188) 2.929 1.853 ( 0.839 0.037 0.321) 0.899 1.968 ( -1.347 -0.101 1.191) 1.801 1.982 ( -0.571 0.725 0.159) 0.936 2.061 ( -4.867 1.450 -2.632) 5.720 2.175 ( -1.157 2.139 -0.918) 2.599 2.203 ( -1.510 3.431 -2.884) 4.729 2.266 ( -1.223 1.056 -1.960) 2.540 2.353 ( -0.232 5.921 -1.195) 6.045 2.433 ( 1.693 1.874 -1.776) 3.087 2.471 ( -1.505 -0.039 0.342) 1.544 2.598 ( 0.703 -3.617 -2.726) 4.584 2.626 ( 2.275 -2.633 0.090) 3.481 2.657 ( -0.865 -3.576 -2.842) 4.649 2.841 ( 0.156 -1.097 2.971) 3.171 2.865 ( -0.793 -1.222 2.260) 2.689 2.939 ( 1.077 2.659 0.660) 2.944 2.995 ( 1.826 2.483 0.265) 3.094 3.108 ( 0.209 -5.819 1.749) 6.080 3.196 ( -0.073 -5.036 0.344) 5.048 3.423 ( 1.197 1.582 2.179) 2.946 3.473 ( 0.314 -1.233 1.465) 1.940 3.631 ( -1.221 0.106 -2.345) 2.646 3.644 ( -0.498 -0.601 -1.731) 1.899 4.369 ( 0.350 1.525 0.765) 1.742 4.423 ( 0.483 -1.050 0.078) 1.158 4.521 ( -0.077 1.975 0.103) 1.979 4.626 ( 0.481 -2.597 -1.731) 3.158 5.882 ( 0.257 0.232 -0.091) 0.358 5.922 ( 0.062 -1.620 -0.567) 1.717 6.045 ( -0.289 0.424 0.927) 1.060 6.098 ( 0.074 -1.944 -0.372) 1.981 6.508 ( -0.312 10.096 1.706) 10.244 6.681 ( 0.217 11.261 -1.090) 11.316 6.951 ( 0.228 -9.938 1.230) 10.016 7.075 ( 0.169 -6.142 -1.049) 6.234 7.283 ( -0.593 1.706 1.140) 2.136 7.378 ( 0.144 -1.443 -0.588) 1.565 7.434 ( 0.673 0.547 -1.185) 1.468 7.445 ( -0.009 -0.058 -1.291) 1.292 8.084 ( -0.517 2.862 0.842) 3.028 8.235 ( 0.522 3.935 -1.893) 4.398 8.279 ( -0.462 -4.907 1.268) 5.089 8.410 ( 0.731 -3.108 -0.517) 3.235 8.757 ( 0.512 0.990 -1.417) 1.802 8.798 ( 0.441 -0.883 -1.442) 1.748 8.939 ( -0.167 2.394 1.168) 2.670 9.017 ( -0.589 -0.667 1.967) 2.159 9.059 ( 0.111 -0.103 -0.822) 0.836 9.139 ( -0.187 -2.185 -0.376) 2.225 9.183 ( 0.228 0.101 0.738) 0.779 9.259 ( 0.559 -1.675 -0.507) 1.837 9.686 ( -1.436 1.806 0.382) 2.339 9.730 ( -2.284 0.762 0.488) 2.457 9.926 ( 1.141 5.624 -0.617) 5.772 10.015 ( 5.051 2.354 -0.652) 5.611 10.799 ( -0.743 0.626 0.323) 1.024 10.830 ( 0.989 -0.524 0.361) 1.176 10.980 ( 0.030 -0.779 -1.903) 2.057 11.012 ( -0.941 -2.531 -2.214) 3.492 ======================= Grid point 49 (27/64) ======================= q-point: (-0.20 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( -5.748 10.551 -0.058) 12.015 0.847 ( -5.189 12.599 3.875) 14.166 0.898 ( -0.997 -0.958 0.144) 1.390 1.010 ( -0.234 1.596 -2.284) 2.797 1.064 ( -0.964 2.293 -0.131) 2.491 1.081 ( -0.555 4.334 1.522) 4.627 1.131 ( -1.593 0.570 -0.567) 1.785 1.159 ( 1.017 1.210 1.335) 2.069 1.191 ( 0.691 3.292 1.492) 3.680 1.240 ( 0.892 1.861 -2.573) 3.298 1.299 ( 0.250 -3.931 1.397) 4.179 1.339 ( -0.265 0.026 -1.578) 1.601 1.367 ( -1.065 0.709 1.919) 2.306 1.414 ( -1.183 -2.361 -1.678) 3.129 1.472 ( 0.403 0.054 -1.315) 1.376 1.486 ( -1.183 -1.003 -0.193) 1.563 1.534 ( -0.550 -3.832 -0.361) 3.888 1.563 ( -2.876 -0.793 0.051) 2.983 1.614 ( -1.104 0.194 1.625) 1.974 1.671 ( 0.505 1.477 0.061) 1.562 1.706 ( 0.764 -0.648 -1.447) 1.760 1.737 ( -0.912 3.571 -0.503) 3.719 1.778 ( 0.863 0.220 0.617) 1.084 1.816 ( 0.040 -1.373 0.624) 1.509 1.861 ( 1.770 0.165 0.002) 1.778 1.884 ( 1.873 -0.175 0.049) 1.881 1.932 ( -1.401 -1.132 -0.593) 1.897 1.970 ( -0.420 0.327 -0.729) 0.903 2.011 ( -0.774 -2.316 0.864) 2.590 2.135 ( -1.988 -4.419 0.814) 4.914 2.179 ( 0.234 2.749 0.256) 2.771 2.233 ( 0.292 0.342 -0.479) 0.657 2.354 ( 0.561 3.651 -0.998) 3.826 2.441 ( -0.193 0.874 -2.432) 2.592 2.463 ( 1.181 1.321 0.950) 2.011 2.591 ( 0.204 -4.018 -2.476) 4.724 2.635 ( 0.325 -3.374 -2.156) 4.017 2.676 ( 2.017 -3.891 0.628) 4.427 2.836 ( -1.208 -0.325 2.612) 2.896 2.882 ( 0.202 -0.535 1.360) 1.476 2.955 ( 0.293 2.155 0.140) 2.179 3.055 ( 1.716 1.291 0.627) 2.237 3.077 ( -1.640 -3.055 -0.315) 3.481 3.216 ( 0.662 -3.065 0.544) 3.183 3.452 ( 0.078 1.597 1.726) 2.352 3.483 ( -0.278 -0.236 1.586) 1.628 3.597 ( -0.345 0.256 -1.525) 1.584 3.621 ( -0.356 -1.194 -1.827) 2.211 4.392 ( 1.309 1.442 0.685) 2.064 4.436 ( 0.344 -0.784 0.658) 1.080 4.519 ( -0.237 2.158 0.136) 2.175 4.631 ( 0.957 -2.797 -1.710) 3.415 5.883 ( -0.059 0.221 -0.201) 0.304 5.918 ( 0.070 -1.353 -0.935) 1.646 6.042 ( -0.674 0.161 1.409) 1.570 6.097 ( 0.154 -2.195 -0.435) 2.243 6.512 ( -0.303 10.440 1.666) 10.576 6.679 ( 0.240 11.102 -1.064) 11.156 6.963 ( 0.127 -9.831 0.942) 9.877 7.070 ( -0.001 -6.254 -0.948) 6.325 7.273 ( -0.862 1.698 1.052) 2.175 7.385 ( 0.721 -2.187 -0.337) 2.327 7.432 ( -0.284 0.390 -1.424) 1.503 7.442 ( 0.716 0.146 -1.250) 1.448 8.078 ( -0.492 3.061 0.834) 3.211 8.236 ( 0.566 4.329 -1.745) 4.702 8.278 ( -0.428 -5.182 1.384) 5.381 8.419 ( 0.492 -3.245 -0.920) 3.408 8.764 ( 0.696 0.320 -0.470) 0.899 8.795 ( 0.259 -0.860 -1.783) 1.996 8.941 ( -0.206 2.566 0.653) 2.656 9.017 ( -0.533 -0.104 1.833) 1.912 9.059 ( 0.252 0.034 -0.514) 0.574 9.134 ( -0.082 -2.045 -0.109) 2.049 9.192 ( 0.132 -0.038 0.618) 0.633 9.267 ( 0.513 -1.830 -0.897) 2.101 9.653 ( -1.461 0.808 0.355) 1.707 9.679 ( -2.296 -0.073 0.262) 2.312 9.964 ( 2.090 7.381 0.051) 7.671 10.146 ( 7.218 0.144 -1.927) 7.472 10.795 ( 0.622 1.865 -0.073) 1.967 10.855 ( 1.084 -0.575 0.377) 1.284 10.949 ( -3.748 -1.259 -2.529) 4.694 10.960 ( -0.761 -1.644 -1.425) 2.305 ======================= Grid point 50 (28/64) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( 0.466 -8.384 0.400) 8.406 0.785 ( 0.466 8.384 0.400) 8.406 0.992 ( -1.391 -7.396 -1.049) 7.599 0.992 ( -1.391 7.396 -1.049) 7.599 1.065 ( -1.474 -1.547 -1.045) 2.379 1.065 ( -1.474 1.547 -1.045) 2.379 1.133 ( -0.903 -3.756 -3.013) 4.899 1.133 ( -0.903 3.756 -3.013) 4.899 1.253 ( -2.096 -3.363 -4.029) 5.652 1.253 ( -2.096 3.363 -4.029) 5.652 1.294 ( 0.159 -1.392 1.650) 2.164 1.294 ( 0.159 1.392 1.650) 2.164 1.349 ( -0.720 -1.434 -1.454) 2.166 1.349 ( -0.720 1.434 -1.454) 2.166 1.443 ( 0.260 -1.887 -1.812) 2.630 1.443 ( 0.260 1.887 -1.812) 2.630 1.507 ( 0.833 -1.645 0.909) 2.056 1.507 ( 0.833 1.645 0.909) 2.056 1.662 ( 0.981 -1.350 -0.624) 1.781 1.662 ( 0.981 1.350 -0.624) 1.781 1.760 ( -2.458 -3.076 0.189) 3.942 1.760 ( -2.458 3.076 0.189) 3.942 1.801 ( 1.139 -0.754 0.777) 1.572 1.801 ( 1.139 0.754 0.777) 1.572 1.865 ( -1.686 -2.092 -1.518) 3.086 1.865 ( -1.686 2.092 -1.518) 3.086 1.931 ( 1.113 -1.618 1.307) 2.359 1.931 ( 1.113 1.618 1.307) 2.359 2.054 ( 3.138 -3.465 5.335) 7.093 2.054 ( 3.138 3.465 5.335) 7.093 2.249 ( 1.310 -1.704 1.650) 2.710 2.249 ( 1.310 1.704 1.650) 2.710 2.450 ( 0.965 -3.024 0.294) 3.188 2.450 ( 0.965 3.024 0.294) 3.188 2.487 ( 0.588 -5.336 -2.877) 6.091 2.487 ( 0.588 5.336 -2.877) 6.091 2.633 ( 0.347 -2.462 1.243) 2.780 2.633 ( 0.347 2.462 1.243) 2.780 2.854 ( -1.064 -1.826 1.135) 2.399 2.854 ( -1.064 1.826 1.135) 2.399 2.992 ( 0.167 -1.596 0.540) 1.693 2.992 ( 0.167 1.596 0.540) 1.693 3.143 ( -1.521 -3.404 -1.659) 4.081 3.143 ( -1.521 3.404 -1.659) 4.081 3.474 ( -0.853 -0.791 0.662) 1.338 3.474 ( -0.853 0.791 0.662) 1.338 3.600 ( 1.050 -0.626 -0.823) 1.473 3.600 ( 1.050 0.626 -0.823) 1.473 4.432 ( -0.182 -0.452 0.972) 1.088 4.432 ( -0.182 0.452 0.972) 1.088 4.576 ( 0.478 -3.320 -0.757) 3.439 4.576 ( 0.478 3.320 -0.757) 3.439 5.892 ( 0.019 -0.986 -0.517) 1.114 5.892 ( 0.019 0.986 -0.517) 1.114 6.058 ( -0.008 -1.585 -0.030) 1.585 6.058 ( -0.008 1.585 -0.030) 1.585 6.740 ( -0.631 -11.322 0.834) 11.371 6.740 ( -0.631 11.322 0.834) 11.371 6.898 ( 0.427 -9.724 -1.087) 9.794 6.898 ( 0.427 9.724 -1.087) 9.794 7.330 ( 0.120 -3.593 0.629) 3.650 7.330 ( 0.120 3.593 0.629) 3.650 7.437 ( 0.274 -0.773 -1.376) 1.602 7.437 ( 0.274 0.773 -1.376) 1.602 8.159 ( -0.355 -4.954 1.043) 5.075 8.159 ( -0.355 4.954 1.043) 5.075 8.341 ( 0.400 -4.332 -1.328) 4.549 8.341 ( 0.400 4.332 -1.328) 4.549 8.776 ( 0.393 -0.494 -1.405) 1.540 8.776 ( 0.393 0.494 -1.405) 1.540 8.986 ( -0.386 -2.527 0.582) 2.621 8.986 ( -0.386 2.527 0.582) 2.621 9.091 ( 0.229 -2.245 -0.143) 2.261 9.091 ( 0.229 2.245 -0.143) 2.261 9.222 ( -0.167 -2.246 -0.359) 2.280 9.222 ( -0.167 2.246 -0.359) 2.280 9.649 ( 0.055 -0.162 0.512) 0.539 9.649 ( 0.055 0.162 0.512) 0.539 10.132 ( 0.093 -5.838 -1.170) 5.955 10.132 ( 0.093 5.838 -1.170) 5.955 10.866 ( 0.275 -0.525 -0.461) 0.751 10.866 ( 0.275 0.525 -0.461) 0.751 10.893 ( 0.209 -2.413 -0.724) 2.528 10.893 ( 0.209 2.413 -0.724) 2.528 ======================= Grid point 52 (29/64) ======================= q-point: ( 0.20 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( 2.821 -7.259 0.627) 7.813 0.828 ( 2.821 7.259 0.627) 7.813 0.958 ( -0.120 -7.837 -2.393) 8.195 0.958 ( -0.120 7.837 -2.393) 8.195 1.059 ( 1.448 -2.451 0.369) 2.871 1.059 ( 1.448 2.451 0.369) 2.871 1.093 ( -0.539 -1.652 -3.811) 4.188 1.093 ( -0.539 1.652 -3.811) 4.188 1.213 ( 0.024 -3.634 -1.814) 4.062 1.213 ( 0.024 3.634 -1.814) 4.062 1.289 ( -1.138 -0.218 0.598) 1.303 1.289 ( -1.138 0.218 0.598) 1.303 1.336 ( -0.074 -1.372 0.005) 1.374 1.336 ( -0.074 1.372 0.005) 1.374 1.437 ( 0.537 -1.904 -2.369) 3.087 1.437 ( 0.537 1.904 -2.369) 3.087 1.541 ( 1.215 -1.336 0.743) 1.952 1.541 ( 1.215 1.336 0.743) 1.952 1.664 ( -0.647 -1.968 -1.226) 2.407 1.664 ( -0.647 1.968 -1.226) 2.407 1.712 ( -1.664 -1.727 1.072) 2.627 1.712 ( -1.664 1.727 1.072) 2.627 1.804 ( -1.458 -1.465 -1.279) 2.431 1.804 ( -1.458 1.465 -1.279) 2.431 1.849 ( 0.760 -2.332 0.373) 2.481 1.849 ( 0.760 2.332 0.373) 2.481 1.960 ( 1.244 -0.452 0.600) 1.453 1.960 ( 1.244 0.452 0.600) 1.453 2.173 ( 4.670 -3.020 5.548) 7.856 2.173 ( 4.670 3.020 5.548) 7.856 2.285 ( 1.102 -2.548 1.017) 2.957 2.285 ( 1.102 2.548 1.017) 2.957 2.458 ( 0.208 -2.443 -1.089) 2.682 2.458 ( 0.208 2.443 -1.089) 2.682 2.508 ( 1.831 -6.728 -0.609) 7.000 2.508 ( 1.831 6.728 -0.609) 7.000 2.628 ( -0.944 -1.685 -0.594) 2.021 2.628 ( -0.944 1.685 -0.594) 2.021 2.834 ( -1.580 -2.196 2.062) 3.402 2.834 ( -1.580 2.196 2.062) 3.402 3.001 ( -0.497 -2.645 0.427) 2.725 3.001 ( -0.497 2.645 0.427) 2.725 3.086 ( -1.755 -4.134 -1.450) 4.719 3.086 ( -1.755 4.134 -1.450) 4.719 3.451 ( -1.496 -1.146 0.140) 1.889 3.451 ( -1.496 1.146 0.140) 1.889 3.627 ( 1.673 -0.826 -0.676) 1.984 3.627 ( 1.673 0.826 -0.676) 1.984 4.421 ( -1.231 -0.623 0.772) 1.581 4.421 ( -1.231 0.623 0.772) 1.581 4.579 ( 0.155 -3.327 -0.687) 3.400 4.579 ( 0.155 3.327 -0.687) 3.400 5.890 ( 0.107 -1.170 -0.423) 1.249 5.890 ( 0.107 1.170 -0.423) 1.249 6.060 ( 0.246 -1.548 -0.113) 1.571 6.060 ( 0.246 1.548 -0.113) 1.571 6.729 ( -0.795 -10.958 0.808) 11.017 6.729 ( -0.795 10.958 0.808) 11.017 6.903 ( 0.602 -9.583 -1.063) 9.660 6.903 ( 0.602 9.583 -1.063) 9.660 7.336 ( 0.122 -3.494 0.453) 3.526 7.336 ( 0.122 3.494 0.453) 3.526 7.436 ( 0.478 -0.794 -1.235) 1.544 7.436 ( 0.478 0.794 -1.235) 1.544 8.161 ( -0.148 -4.749 1.021) 4.860 8.161 ( -0.148 4.749 1.021) 4.860 8.338 ( 0.116 -3.832 -1.269) 4.038 8.338 ( 0.116 3.832 -1.269) 4.038 8.777 ( 0.488 -0.548 -1.468) 1.641 8.777 ( 0.488 0.548 -1.468) 1.641 8.981 ( -0.439 -2.754 0.628) 2.858 8.981 ( -0.439 2.754 0.628) 2.858 9.094 ( 0.140 -2.380 -0.228) 2.395 9.094 ( 0.140 2.380 -0.228) 2.395 9.214 ( -0.277 -2.270 -0.299) 2.307 9.214 ( -0.277 2.270 -0.299) 2.307 9.677 ( 2.105 -0.608 0.615) 2.275 9.677 ( 2.105 0.608 0.615) 2.275 10.085 ( -3.533 -4.019 -1.082) 5.459 10.085 ( -3.533 4.019 -1.082) 5.459 10.834 ( -1.457 -1.428 -0.128) 2.044 10.834 ( -1.457 1.428 -0.128) 2.044 10.942 ( 3.001 -1.225 -1.036) 3.403 10.942 ( 3.001 1.225 -1.036) 3.403 ======================= Grid point 54 (30/64) ======================= q-point: ( 0.40 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( 0.942 -3.991 0.971) 4.214 0.877 ( 0.942 3.991 0.971) 4.214 0.980 ( 3.411 -2.994 -1.327) 4.729 0.980 ( 3.411 2.994 -1.327) 4.729 1.050 ( -0.674 -0.681 -1.255) 1.579 1.050 ( -0.674 0.681 -1.255) 1.579 1.144 ( 4.085 -5.104 0.324) 6.546 1.144 ( 4.085 5.104 0.324) 6.546 1.202 ( -2.011 -3.995 0.562) 4.508 1.202 ( -2.011 3.995 0.562) 4.508 1.265 ( -0.235 -2.255 1.522) 2.731 1.265 ( -0.235 2.255 1.522) 2.731 1.357 ( 1.567 -1.030 1.097) 2.172 1.357 ( 1.567 1.030 1.097) 2.172 1.445 ( 1.632 -2.524 -2.075) 3.652 1.445 ( 1.632 2.524 -2.075) 3.652 1.547 ( -1.031 -1.256 0.851) 1.834 1.547 ( -1.031 1.256 0.851) 1.834 1.640 ( -0.136 -2.128 -1.178) 2.436 1.640 ( -0.136 2.128 -1.178) 2.436 1.707 ( -0.415 -0.614 1.501) 1.674 1.707 ( -0.415 0.614 1.501) 1.674 1.772 ( -0.499 -0.912 0.034) 1.040 1.772 ( -0.499 0.912 0.034) 1.040 1.861 ( 0.181 -1.246 -0.331) 1.301 1.861 ( 0.181 1.246 -0.330) 1.301 1.983 ( 0.566 -0.274 0.382) 0.736 1.983 ( 0.566 0.274 0.382) 0.736 2.251 ( -0.499 -1.858 -0.468) 1.980 2.251 ( -0.499 1.858 -0.468) 1.980 2.293 ( -0.407 -0.446 -0.810) 1.010 2.293 ( -0.407 0.446 -0.810) 1.010 2.455 ( 0.412 -2.118 -2.296) 3.150 2.455 ( 0.412 2.118 -2.296) 3.150 2.516 ( -0.443 -4.186 -0.130) 4.212 2.516 ( -0.443 4.186 -0.130) 4.212 2.609 ( 0.055 -2.289 -2.003) 3.042 2.609 ( 0.055 2.289 -2.003) 3.042 2.824 ( -0.981 -1.836 3.555) 4.120 2.824 ( -0.981 1.836 3.555) 4.120 2.980 ( -0.478 -3.519 1.014) 3.693 2.980 ( -0.478 3.519 1.014) 3.693 3.076 ( 0.287 -5.441 -0.094) 5.449 3.076 ( 0.287 5.441 -0.094) 5.449 3.432 ( -0.280 -1.351 0.735) 1.563 3.432 ( -0.280 1.351 0.735) 1.563 3.646 ( 0.588 -0.610 -1.178) 1.452 3.646 ( 0.588 0.610 -1.178) 1.452 4.401 ( -0.849 -1.155 0.406) 1.490 4.401 ( -0.849 1.155 0.406) 1.490 4.575 ( -0.060 -2.965 -0.782) 3.067 4.575 ( -0.060 2.965 -0.782) 3.067 5.891 ( 0.210 -1.172 -0.241) 1.215 5.891 ( 0.210 1.172 -0.241) 1.215 6.064 ( 0.186 -1.399 -0.189) 1.424 6.064 ( 0.186 1.399 -0.189) 1.424 6.722 ( -0.330 -10.965 1.211) 11.036 6.722 ( -0.330 10.965 1.211) 11.036 6.907 ( 0.420 -9.846 -1.189) 9.926 6.907 ( 0.420 9.846 -1.189) 9.926 7.338 ( -0.165 -2.970 0.131) 2.977 7.338 ( -0.165 2.970 0.131) 2.977 7.440 ( 0.517 -0.616 -1.062) 1.332 7.440 ( 0.517 0.616 -1.062) 1.332 8.164 ( -0.177 -4.732 1.103) 4.862 8.164 ( -0.177 4.732 1.103) 4.862 8.333 ( 0.209 -3.857 -1.296) 4.074 8.333 ( 0.209 3.857 -1.296) 4.074 8.778 ( 0.477 -0.881 -1.499) 1.803 8.778 ( 0.477 0.881 -1.499) 1.803 8.979 ( -0.205 -2.593 0.853) 2.737 8.979 ( -0.205 2.593 0.853) 2.737 9.093 ( 0.008 -2.623 -0.452) 2.662 9.093 ( 0.008 2.623 -0.452) 2.662 9.211 ( 0.037 -2.329 0.031) 2.330 9.211 ( 0.037 2.329 0.031) 2.330 9.726 ( 1.719 -1.447 0.468) 2.295 9.726 ( 1.719 1.447 0.468) 2.295 10.008 ( -2.552 -1.829 -0.728) 3.223 10.008 ( -2.552 1.829 -0.728) 3.223 10.815 ( -0.442 -0.794 0.170) 0.924 10.815 ( -0.442 0.794 0.170) 0.924 10.981 ( 1.419 -1.070 -1.427) 2.279 10.981 ( 1.419 1.070 -1.427) 2.279 ======================= Grid point 56 (31/64) ======================= q-point: (-0.40 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( -2.231 -3.494 0.342) 4.160 0.867 ( -2.231 3.494 0.342) 4.160 1.021 ( 0.420 -0.813 -1.618) 1.858 1.021 ( 0.420 0.813 -1.618) 1.858 1.086 ( 3.179 -1.000 3.547) 4.867 1.086 ( 3.179 1.000 3.547) 4.867 1.144 ( -1.797 -5.215 0.317) 5.525 1.144 ( -1.797 5.215 0.317) 5.525 1.206 ( 1.603 -1.786 -0.411) 2.435 1.206 ( 1.603 1.786 -0.411) 2.435 1.289 ( 0.812 -1.014 0.790) 1.520 1.289 ( 0.812 1.014 0.790) 1.520 1.386 ( -0.538 -1.121 2.385) 2.689 1.386 ( -0.538 1.121 2.385) 2.689 1.477 ( 1.386 -1.432 -0.016) 1.993 1.477 ( 1.386 1.432 -0.016) 1.993 1.534 ( -0.229 -2.476 -0.007) 2.486 1.534 ( -0.229 2.476 -0.007) 2.486 1.646 ( 0.833 -2.228 -0.906) 2.545 1.646 ( 0.833 2.228 -0.906) 2.545 1.713 ( 1.176 -1.993 2.223) 3.209 1.713 ( 1.176 1.993 2.223) 3.209 1.785 ( 0.767 -1.348 -0.055) 1.552 1.785 ( 0.767 1.348 -0.055) 1.552 1.857 ( -0.068 -0.701 0.120) 0.714 1.857 ( -0.068 0.701 0.120) 0.714 1.985 ( -0.587 -0.691 0.317) 0.960 1.985 ( -0.587 0.691 0.317) 0.960 2.137 ( -7.688 -4.820 -3.855) 9.859 2.137 ( -7.688 4.820 -3.855) 9.859 2.259 ( -1.539 -1.761 -2.242) 3.240 2.259 ( -1.539 1.761 -2.242) 3.240 2.445 ( 0.246 -2.489 -2.777) 3.737 2.445 ( 0.246 2.489 -2.777) 3.737 2.519 ( 0.408 -4.748 -0.867) 4.844 2.519 ( 0.408 4.748 -0.867) 4.844 2.595 ( -0.012 -1.149 -1.397) 1.809 2.595 ( -0.012 1.149 -1.397) 1.809 2.836 ( -0.019 -1.354 3.576) 3.824 2.836 ( -0.019 1.354 3.576) 3.824 3.002 ( 0.757 -3.896 1.220) 4.152 3.002 ( 0.757 3.896 1.220) 4.152 3.088 ( 1.498 -5.374 0.452) 5.597 3.088 ( 1.498 5.374 0.452) 5.597 3.450 ( 1.048 -1.109 1.740) 2.314 3.450 ( 1.048 1.109 1.740) 2.314 3.634 ( -0.840 -0.386 -1.850) 2.068 3.634 ( -0.840 0.386 -1.850) 2.068 4.399 ( 0.417 -1.372 0.370) 1.481 4.399 ( 0.417 1.372 0.370) 1.481 4.570 ( 0.189 -2.765 -0.894) 2.912 4.570 ( 0.189 2.765 -0.894) 2.912 5.894 ( 0.163 -1.013 -0.222) 1.050 5.894 ( 0.163 1.013 -0.222) 1.050 6.064 ( -0.078 -1.362 -0.157) 1.373 6.064 ( -0.078 1.362 -0.157) 1.373 6.729 ( 0.118 -11.277 1.496) 11.377 6.729 ( 0.118 11.277 1.496) 11.377 6.905 ( 0.158 -10.085 -1.279) 10.167 6.905 ( 0.158 10.085 -1.279) 10.167 7.332 ( -0.370 -2.740 0.088) 2.766 7.332 ( -0.370 2.740 0.088) 2.766 7.442 ( 0.317 -0.262 -1.103) 1.178 7.442 ( 0.317 0.262 -1.103) 1.178 8.165 ( -0.381 -4.963 1.170) 5.114 8.165 ( -0.381 4.963 1.170) 5.114 8.333 ( 0.561 -4.384 -1.367) 4.627 8.333 ( 0.561 4.384 -1.367) 4.627 8.778 ( 0.404 -1.063 -1.419) 1.819 8.778 ( 0.404 1.063 -1.419) 1.819 8.982 ( -0.002 -2.304 0.940) 2.488 8.982 ( -0.002 2.304 0.940) 2.488 9.090 ( -0.010 -2.637 -0.544) 2.692 9.090 ( -0.010 2.637 -0.544) 2.692 9.216 ( 0.338 -2.330 0.188) 2.362 9.216 ( 0.338 2.330 0.188) 2.362 9.722 ( -2.246 -1.413 0.215) 2.662 9.722 ( -2.246 1.413 0.215) 2.662 10.011 ( 3.235 -2.510 -0.504) 4.125 10.011 ( 3.235 2.510 -0.504) 4.125 10.815 ( 0.322 -0.871 0.186) 0.947 10.815 ( 0.322 0.871 0.186) 0.947 10.979 ( -0.670 -0.768 -1.532) 1.840 10.979 ( -0.670 0.768 -1.532) 1.840 ======================= Grid point 58 (32/64) ======================= q-point: (-0.20 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( -2.710 -7.240 0.048) 7.731 0.810 ( -2.710 7.240 0.048) 7.731 1.014 ( -0.525 -2.410 -0.156) 2.472 1.014 ( -0.525 2.410 -0.156) 2.472 1.096 ( -1.079 -1.272 0.148) 1.675 1.096 ( -1.079 1.272 0.148) 1.675 1.168 ( -0.748 -4.805 0.095) 4.864 1.168 ( -0.748 4.805 0.095) 4.864 1.236 ( 2.979 -1.246 1.145) 3.426 1.236 ( 2.979 1.246 1.145) 3.426 1.302 ( 0.084 -3.053 -0.857) 3.172 1.302 ( 0.084 3.053 -0.857) 3.172 1.376 ( -0.992 -0.654 0.517) 1.296 1.376 ( -0.992 0.654 0.517) 1.296 1.471 ( -1.461 -0.719 -1.560) 2.255 1.471 ( -1.461 0.719 -1.560) 2.255 1.515 ( -1.421 -3.228 -0.599) 3.578 1.515 ( -1.421 3.228 -0.599) 3.578 1.648 ( 0.465 -2.212 -0.732) 2.376 1.648 ( 0.465 2.212 -0.732) 2.376 1.773 ( 0.877 -2.824 1.031) 3.131 1.773 ( 0.877 2.824 1.031) 3.131 1.788 ( 0.488 -0.884 0.342) 1.066 1.788 ( 0.488 0.884 0.342) 1.066 1.878 ( 1.827 -1.145 1.312) 2.524 1.878 ( 1.827 1.145 1.312) 2.524 1.942 ( -4.260 -4.597 -0.547) 6.291 1.942 ( -4.260 4.597 -0.547) 6.291 2.009 ( -1.126 -3.635 0.310) 3.817 2.009 ( -1.126 3.635 0.310) 3.817 2.230 ( -0.162 -1.211 -0.406) 1.287 2.230 ( -0.162 1.211 -0.406) 1.287 2.437 ( 0.492 -3.594 -1.698) 4.006 2.437 ( 0.492 3.594 -1.698) 4.006 2.505 ( -0.480 -4.891 -2.378) 5.459 2.505 ( -0.480 4.891 -2.378) 5.459 2.608 ( 1.144 -1.962 0.805) 2.410 2.608 ( 1.144 1.962 0.805) 2.410 2.855 ( -0.061 -1.697 2.169) 2.754 2.855 ( -0.061 1.697 2.169) 2.754 3.000 ( -0.831 -2.517 0.099) 2.652 3.000 ( -0.831 2.517 0.099) 2.652 3.139 ( 2.110 -4.255 0.322) 4.761 3.139 ( 2.110 4.255 0.322) 4.761 3.476 ( 0.182 -0.648 1.457) 1.605 3.476 ( 0.182 0.648 1.457) 1.605 3.603 ( -0.626 -0.570 -1.708) 1.906 3.603 ( -0.626 0.570 -1.708) 1.906 4.418 ( 0.885 -1.046 0.718) 1.547 4.418 ( 0.885 1.046 0.718) 1.547 4.571 ( 0.425 -2.936 -0.885) 3.096 4.571 ( 0.425 2.936 -0.885) 3.096 5.894 ( 0.036 -0.909 -0.404) 0.995 5.894 ( 0.036 0.909 -0.404) 0.995 6.060 ( -0.188 -1.459 -0.046) 1.472 6.060 ( -0.188 1.459 -0.046) 1.472 6.740 ( -0.031 -11.506 1.281) 11.578 6.740 ( -0.031 11.506 1.281) 11.578 6.900 ( 0.127 -10.018 -1.230) 10.094 6.900 ( 0.127 10.018 -1.230) 10.094 7.327 ( -0.206 -3.168 0.380) 3.197 7.327 ( -0.206 3.168 0.380) 3.197 7.440 ( 0.208 -0.337 -1.273) 1.333 7.440 ( 0.208 0.337 -1.273) 1.333 8.162 ( -0.553 -5.059 1.106) 5.208 8.162 ( -0.553 5.059 1.106) 5.208 8.338 ( 0.682 -4.642 -1.379) 4.890 8.338 ( 0.682 4.642 -1.379) 4.890 8.777 ( 0.358 -0.866 -1.361) 1.652 8.777 ( 0.358 0.866 -1.361) 1.652 8.987 ( -0.091 -2.247 0.786) 2.383 8.987 ( -0.091 2.247 0.786) 2.383 9.088 ( 0.140 -2.401 -0.343) 2.429 9.088 ( 0.140 2.401 -0.343) 2.429 9.223 ( 0.215 -2.283 -0.054) 2.293 9.223 ( 0.215 2.283 -0.054) 2.293 9.670 ( -2.239 -0.750 0.249) 2.375 9.670 ( -2.239 0.750 0.249) 2.375 10.092 ( 4.008 -4.916 -0.744) 6.386 10.092 ( 4.008 4.916 -0.744) 6.386 10.833 ( 1.452 -1.643 -0.099) 2.195 10.833 ( 1.452 1.643 -0.099) 2.195 10.939 ( -2.246 -0.278 -1.238) 2.579 10.939 ( -2.246 0.278 -1.238) 2.579 ======================= Grid point 70 (33/64) ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.491 ( -4.574 0.000 11.989) 12.832 0.648 ( 0.831 0.000 14.014) 14.038 0.867 ( 3.810 0.000 11.432) 12.050 0.883 ( 4.378 0.000 -6.855) 8.134 0.933 ( 0.551 0.000 1.008) 1.149 1.044 ( 0.455 0.000 -2.131) 2.179 1.127 ( 1.746 0.000 7.980) 8.169 1.144 ( -1.741 0.000 -0.467) 1.802 1.171 ( 2.665 0.000 0.356) 2.688 1.231 ( 1.286 0.000 -1.072) 1.674 1.278 ( -4.886 0.000 -1.114) 5.012 1.402 ( -1.475 0.000 -0.836) 1.695 1.429 ( -0.647 0.000 1.233) 1.392 1.429 ( 1.299 0.000 -2.403) 2.732 1.489 ( 1.308 0.000 -0.137) 1.315 1.532 ( -0.161 0.000 0.221) 0.273 1.537 ( 1.006 0.000 -0.297) 1.048 1.538 ( 0.195 0.000 -2.175) 2.184 1.628 ( -3.006 0.000 1.718) 3.462 1.671 ( -0.472 0.000 -1.604) 1.672 1.719 ( 1.369 0.000 -2.369) 2.736 1.730 ( 2.091 0.000 4.336) 4.814 1.747 ( 1.382 0.000 -2.241) 2.633 1.814 ( 0.297 0.000 1.539) 1.567 1.849 ( -2.509 0.000 -1.481) 2.914 1.861 ( 1.873 0.000 -0.797) 2.036 1.905 ( -0.319 0.000 -1.832) 1.859 1.957 ( 1.313 0.000 0.300) 1.347 2.084 ( -3.548 0.000 -1.370) 3.804 2.127 ( -1.332 0.000 -2.903) 3.194 2.140 ( -1.716 0.000 -1.944) 2.592 2.179 ( 0.788 0.000 -0.495) 0.931 2.268 ( -2.303 0.000 3.193) 3.937 2.412 ( 2.323 0.000 -2.997) 3.791 2.570 ( 1.737 0.000 5.193) 5.475 2.681 ( 1.699 0.000 -0.037) 1.699 2.737 ( -1.201 0.000 -2.810) 3.056 2.774 ( -0.527 0.000 -4.130) 4.164 2.850 ( 2.200 0.000 2.293) 3.178 2.898 ( -1.521 0.000 1.286) 1.992 2.910 ( 1.065 0.000 -0.074) 1.068 2.962 ( -3.494 0.000 -3.191) 4.732 3.192 ( 1.576 0.000 0.821) 1.777 3.204 ( -1.297 0.000 0.084) 1.300 3.467 ( -2.579 0.000 2.919) 3.895 3.562 ( 0.469 0.000 -1.520) 1.591 3.571 ( 0.105 0.000 3.347) 3.349 3.654 ( 2.212 0.000 -1.227) 2.530 4.390 ( 0.956 0.000 1.344) 1.650 4.444 ( -0.796 0.000 -0.911) 1.210 4.503 ( -1.717 0.000 3.397) 3.806 4.649 ( 1.498 0.000 -3.712) 4.003 5.860 ( -0.386 0.000 -0.182) 0.426 5.905 ( 0.343 0.000 -2.300) 2.326 6.154 ( -1.631 0.000 1.680) 2.342 6.204 ( 0.492 0.000 -0.664) 0.827 6.345 ( -0.426 0.000 1.660) 1.714 6.360 ( -0.351 0.000 1.159) 1.211 7.142 ( -0.077 0.000 1.079) 1.082 7.174 ( -0.223 0.000 -0.435) 0.489 7.295 ( -1.152 0.000 0.971) 1.507 7.374 ( 0.708 0.000 -2.666) 2.758 7.384 ( 0.183 0.000 1.008) 1.025 7.420 ( 0.810 0.000 -0.975) 1.268 8.057 ( 0.477 0.000 0.664) 0.818 8.090 ( 0.370 0.000 -0.877) 0.952 8.451 ( -0.669 0.000 0.812) 1.052 8.464 ( -0.589 0.000 0.071) 0.593 8.754 ( 0.792 0.000 -2.936) 3.040 8.757 ( -1.128 0.000 -3.437) 3.617 8.888 ( -1.087 0.000 2.410) 2.644 8.992 ( 0.733 0.000 -2.571) 2.673 9.185 ( -0.152 0.000 1.283) 1.292 9.237 ( 0.860 0.000 -1.077) 1.378 9.348 ( 2.341 0.000 2.171) 3.193 9.350 ( -0.562 0.000 1.820) 1.905 9.657 ( -0.464 0.000 -0.144) 0.486 9.666 ( 0.312 0.000 -0.495) 0.585 9.823 ( -0.139 0.000 0.570) 0.587 9.846 ( 0.236 0.000 -0.534) 0.584 10.746 ( -0.159 0.000 0.305) 0.344 10.763 ( -0.427 0.000 -0.380) 0.571 10.894 ( -1.064 0.000 1.767) 2.063 10.979 ( 2.015 0.000 -2.352) 3.098 ======================= Grid point 71 (34/64) ======================= q-point: ( 0.20 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( 5.256 0.000 9.305) 10.687 0.783 ( 5.017 0.000 7.995) 9.439 0.930 ( -0.187 0.000 -0.627) 0.654 0.945 ( 3.442 0.000 -4.678) 5.808 0.964 ( 0.524 0.000 2.103) 2.168 1.015 ( -1.573 0.000 -4.286) 4.565 1.112 ( -0.153 0.000 -0.060) 0.165 1.133 ( -6.689 0.000 -1.545) 6.865 1.212 ( 2.398 0.000 1.214) 2.688 1.266 ( 1.566 0.000 1.352) 2.069 1.345 ( 8.484 0.000 12.263) 14.911 1.363 ( -0.976 0.000 -1.435) 1.735 1.417 ( -0.277 0.000 -4.705) 4.714 1.422 ( -0.066 0.000 -0.969) 0.971 1.483 ( -1.748 0.000 -0.621) 1.855 1.531 ( -0.486 0.000 -2.004) 2.062 1.554 ( 2.001 0.000 -0.513) 2.065 1.574 ( 3.171 0.000 -0.055) 3.171 1.591 ( -0.303 0.000 1.332) 1.366 1.649 ( -0.141 0.000 -2.594) 2.597 1.748 ( 1.870 0.000 -1.339) 2.300 1.785 ( 2.146 0.000 -1.427) 2.577 1.787 ( -2.068 0.000 -0.820) 2.224 1.795 ( 1.435 0.000 4.793) 5.003 1.845 ( 0.817 0.000 2.006) 2.166 1.878 ( 0.339 0.000 -0.247) 0.419 1.897 ( 0.398 0.000 -0.610) 0.728 1.908 ( -3.147 0.000 -7.798) 8.409 2.042 ( -0.038 0.000 4.094) 4.094 2.095 ( 0.174 0.000 -1.553) 1.563 2.134 ( 0.345 0.000 1.330) 1.374 2.179 ( -0.447 0.000 -1.172) 1.254 2.231 ( -3.356 0.000 4.163) 5.348 2.388 ( -2.563 0.000 -4.026) 4.773 2.615 ( -0.337 0.000 4.188) 4.202 2.686 ( -2.108 0.000 -2.652) 3.388 2.699 ( -0.064 0.000 0.422) 0.427 2.720 ( -1.108 0.000 -4.702) 4.830 2.834 ( -2.945 0.000 1.345) 3.238 2.880 ( -2.840 0.000 -2.806) 3.993 2.938 ( 1.603 0.000 0.692) 1.746 2.950 ( 3.172 0.000 2.148) 3.831 3.185 ( -0.097 0.000 -0.045) 0.107 3.247 ( 3.308 0.000 0.852) 3.416 3.442 ( -1.730 0.000 3.560) 3.958 3.579 ( -0.888 0.000 1.567) 1.801 3.585 ( 2.146 0.000 -1.151) 2.435 3.666 ( -0.160 0.000 -2.262) 2.268 4.402 ( -1.157 0.000 1.848) 2.180 4.423 ( -0.416 0.000 -1.210) 1.280 4.499 ( -0.274 0.000 2.760) 2.774 4.647 ( 0.488 0.000 -3.480) 3.514 5.861 ( 0.463 0.000 0.258) 0.530 5.910 ( 1.289 0.000 -1.865) 2.267 6.124 ( -2.260 0.000 2.954) 3.719 6.200 ( -0.401 0.000 -0.945) 1.027 6.342 ( -0.820 0.000 1.649) 1.842 6.363 ( -0.112 0.000 1.102) 1.108 7.150 ( 0.139 0.000 1.182) 1.190 7.173 ( 0.386 0.000 -0.557) 0.678 7.285 ( -0.539 0.000 1.729) 1.811 7.375 ( 0.916 0.000 -2.495) 2.657 7.385 ( -0.433 0.000 0.354) 0.559 7.424 ( 0.244 0.000 -1.338) 1.360 8.071 ( 0.390 0.000 0.239) 0.458 8.089 ( 0.246 0.000 -1.396) 1.417 8.448 ( -0.292 0.000 1.592) 1.619 8.456 ( -0.296 0.000 0.531) 0.608 8.716 ( -0.849 0.000 -2.058) 2.227 8.760 ( 1.192 0.000 -1.983) 2.313 8.886 ( -0.693 0.000 2.546) 2.639 8.991 ( 0.754 0.000 -2.452) 2.565 9.185 ( -0.551 0.000 0.844) 1.008 9.242 ( 0.341 0.000 -1.529) 1.567 9.337 ( -1.369 0.000 0.771) 1.571 9.345 ( -3.279 0.000 2.354) 4.036 9.652 ( 0.071 0.000 0.002) 0.071 9.677 ( 0.996 0.000 -0.290) 1.037 9.784 ( -3.083 0.000 1.787) 3.563 9.832 ( -1.064 0.000 -0.855) 1.365 10.768 ( 1.803 0.000 1.112) 2.119 10.824 ( 5.444 0.000 -2.986) 6.209 10.877 ( -1.490 0.000 1.420) 2.058 11.010 ( 2.421 0.000 -2.975) 3.835 ======================= Grid point 72 (35/64) ======================= q-point: (-0.60 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( 1.186 0.000 7.153) 7.251 0.846 ( -5.106 0.000 0.388) 5.121 0.907 ( -1.322 0.000 1.675) 2.134 0.941 ( -1.093 0.000 -3.178) 3.360 0.948 ( 1.532 0.000 0.927) 1.791 0.985 ( 1.769 0.000 -5.379) 5.663 1.058 ( -0.319 0.000 2.875) 2.893 1.134 ( 1.704 0.000 -0.787) 1.877 1.249 ( -0.350 0.000 1.476) 1.517 1.295 ( 0.409 0.000 0.907) 0.995 1.366 ( 1.578 0.000 0.411) 1.631 1.375 ( 0.357 0.000 -4.749) 4.763 1.408 ( -0.707 0.000 -2.174) 2.286 1.440 ( -1.515 0.000 0.475) 1.588 1.462 ( -2.284 0.000 -0.135) 2.288 1.526 ( -0.448 0.000 -0.192) 0.488 1.590 ( 1.640 0.000 0.574) 1.738 1.612 ( -0.259 0.000 -1.775) 1.794 1.636 ( 2.635 0.000 0.468) 2.676 1.658 ( 2.502 0.000 -0.045) 2.502 1.708 ( -2.236 0.000 -3.614) 4.249 1.753 ( -2.550 0.000 -1.319) 2.871 1.786 ( 0.439 0.000 2.502) 2.540 1.826 ( -1.313 0.000 -0.892) 1.588 1.831 ( -0.630 0.000 -1.018) 1.197 1.893 ( 0.686 0.000 0.384) 0.787 1.912 ( 4.927 0.000 -2.034) 5.331 1.955 ( 4.166 0.000 2.361) 4.789 2.065 ( -0.602 0.000 3.493) 3.545 2.088 ( -1.631 0.000 -0.157) 1.638 2.159 ( 0.044 0.000 0.753) 0.754 2.168 ( 2.285 0.000 1.766) 2.888 2.198 ( -2.130 0.000 4.155) 4.669 2.329 ( 0.231 0.000 -2.008) 2.022 2.594 ( -3.777 0.000 2.483) 4.520 2.640 ( 0.173 0.000 -3.339) 3.344 2.685 ( -1.362 0.000 0.103) 1.366 2.700 ( 1.823 0.000 -3.399) 3.857 2.782 ( -2.383 0.000 0.688) 2.480 2.821 ( -1.047 0.000 -2.271) 2.500 2.977 ( 1.604 0.000 0.864) 1.822 2.996 ( 0.138 0.000 1.230) 1.237 3.222 ( 2.903 0.000 2.093) 3.578 3.322 ( 2.892 0.000 -0.017) 2.892 3.434 ( -1.267 0.000 4.059) 4.252 3.556 ( -1.625 0.000 0.463) 1.689 3.603 ( -0.512 0.000 -3.028) 3.071 3.633 ( -0.354 0.000 -2.238) 2.266 4.378 ( -1.836 0.000 2.204) 2.869 4.420 ( 0.901 0.000 -1.032) 1.370 4.513 ( -0.019 0.000 1.907) 1.907 4.633 ( 0.286 0.000 -3.340) 3.352 5.877 ( 0.661 0.000 0.633) 0.915 5.929 ( 1.428 0.000 -1.629) 2.166 6.106 ( -1.199 0.000 2.802) 3.048 6.183 ( -0.431 0.000 -1.259) 1.331 6.335 ( -0.821 0.000 1.879) 2.050 6.366 ( -0.208 0.000 1.020) 1.041 7.156 ( -0.257 0.000 0.941) 0.976 7.181 ( 0.687 0.000 -0.754) 1.020 7.295 ( 0.252 0.000 2.454) 2.467 7.373 ( -0.747 0.000 -0.125) 0.757 7.380 ( 0.920 0.000 -1.963) 2.168 7.415 ( -0.169 0.000 -1.865) 1.873 8.071 ( -0.345 0.000 -0.295) 0.454 8.085 ( 0.188 0.000 -1.473) 1.485 8.456 ( 0.023 0.000 1.725) 1.725 8.461 ( 0.289 0.000 0.992) 1.033 8.708 ( 0.732 0.000 -0.042) 0.733 8.772 ( 0.902 0.000 -1.803) 2.015 8.888 ( -0.601 0.000 2.490) 2.561 8.993 ( 0.774 0.000 -2.326) 2.452 9.175 ( -0.809 0.000 0.649) 1.037 9.233 ( -0.087 0.000 -1.949) 1.951 9.276 ( -4.740 0.000 3.833) 6.096 9.316 ( -0.643 0.000 0.093) 0.650 9.660 ( 0.620 0.000 0.438) 0.759 9.694 ( 0.550 0.000 -0.329) 0.641 9.742 ( -2.116 0.000 1.986) 2.902 9.805 ( -0.502 0.000 -1.349) 1.439 10.820 ( 1.700 0.000 2.405) 2.945 10.852 ( -1.612 0.000 1.327) 2.088 10.904 ( 4.237 0.000 -4.142) 5.925 11.029 ( 1.336 0.000 -4.654) 4.842 ======================= Grid point 73 (36/64) ======================= q-point: (-0.40 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( -8.053 0.000 8.944) 12.036 0.705 ( -8.578 0.000 5.677) 10.287 0.911 ( -0.582 0.000 -0.770) 0.965 0.935 ( -1.181 0.000 -4.078) 4.245 0.952 ( 1.114 0.000 -0.281) 1.149 1.012 ( 1.967 0.000 -2.423) 3.121 1.090 ( -1.048 0.000 3.969) 4.105 1.154 ( 1.069 0.000 -2.253) 2.494 1.212 ( -3.882 0.000 0.718) 3.948 1.292 ( -1.497 0.000 0.445) 1.562 1.307 ( -7.016 0.000 2.463) 7.436 1.388 ( 0.570 0.000 -0.911) 1.075 1.391 ( 1.515 0.000 -1.765) 2.326 1.401 ( 2.250 0.000 -2.699) 3.514 1.443 ( -0.108 0.000 4.097) 4.098 1.511 ( 0.104 0.000 -1.136) 1.140 1.576 ( -2.529 0.000 0.214) 2.538 1.620 ( 0.574 0.000 -0.291) 0.643 1.643 ( -1.420 0.000 -0.580) 1.534 1.675 ( 1.315 0.000 -0.050) 1.316 1.719 ( -0.990 0.000 -3.433) 3.573 1.722 ( 3.712 0.000 -0.727) 3.782 1.766 ( -3.197 0.000 1.741) 3.641 1.808 ( -0.257 0.000 -1.155) 1.183 1.843 ( 1.872 0.000 1.647) 2.493 1.876 ( -1.684 0.000 -1.817) 2.477 1.951 ( -2.650 0.000 -1.802) 3.205 2.019 ( 5.133 0.000 1.102) 5.250 2.040 ( -3.239 0.000 0.689) 3.311 2.120 ( 2.901 0.000 0.672) 2.978 2.172 ( -0.066 0.000 0.914) 0.916 2.190 ( -0.435 0.000 2.352) 2.392 2.258 ( 4.672 0.000 1.662) 4.959 2.354 ( 2.370 0.000 -3.127) 3.924 2.513 ( -4.423 0.000 1.648) 4.720 2.655 ( -1.072 0.000 -0.709) 1.285 2.677 ( 4.603 0.000 -1.773) 4.933 2.745 ( 3.674 0.000 -2.812) 4.626 2.757 ( -0.354 0.000 0.819) 0.893 2.818 ( 1.922 0.000 -1.276) 2.307 2.982 ( -1.827 0.000 0.794) 1.992 3.009 ( 1.074 0.000 0.648) 1.254 3.278 ( -0.075 0.000 2.003) 2.005 3.311 ( -3.474 0.000 -1.886) 3.952 3.460 ( 1.233 0.000 3.758) 3.955 3.535 ( -0.964 0.000 1.952) 2.178 3.562 ( 0.034 0.000 -1.914) 1.914 3.620 ( -0.179 0.000 -3.180) 3.185 4.364 ( -0.622 0.000 1.476) 1.602 4.441 ( 1.351 0.000 -0.649) 1.499 4.518 ( -0.623 0.000 2.127) 2.217 4.625 ( 1.097 0.000 -3.487) 3.656 5.886 ( -0.206 0.000 0.363) 0.417 5.939 ( 0.422 0.000 -2.094) 2.136 6.115 ( 0.633 0.000 2.438) 2.519 6.176 ( 0.616 0.000 -1.135) 1.291 6.334 ( -0.456 0.000 2.064) 2.114 6.367 ( -0.270 0.000 0.934) 0.973 7.151 ( -0.646 0.000 0.746) 0.986 7.188 ( 0.412 0.000 -0.924) 1.012 7.317 ( 0.143 0.000 2.327) 2.332 7.358 ( -0.398 0.000 -0.001) 0.398 7.389 ( 0.764 0.000 -1.208) 1.429 7.397 ( -0.069 0.000 -2.358) 2.359 8.058 ( -0.621 0.000 -0.130) 0.635 8.081 ( 0.295 0.000 -0.987) 1.030 8.465 ( -0.155 0.000 1.163) 1.174 8.472 ( 0.177 0.000 0.675) 0.698 8.741 ( 2.203 0.000 0.422) 2.243 8.772 ( 0.453 0.000 -2.556) 2.596 8.895 ( -0.243 0.000 2.664) 2.675 8.993 ( 0.689 0.000 -2.491) 2.585 9.164 ( -0.653 0.000 1.627) 1.753 9.219 ( -2.977 0.000 4.902) 5.736 9.222 ( 0.294 0.000 -1.705) 1.730 9.317 ( 0.481 0.000 0.790) 0.925 9.676 ( 0.232 0.000 0.476) 0.529 9.689 ( -0.660 0.000 -0.641) 0.920 9.728 ( -0.141 0.000 2.359) 2.364 9.807 ( 1.312 0.000 -1.208) 1.784 10.809 ( -2.429 0.000 1.270) 2.741 10.873 ( 0.969 0.000 2.693) 2.863 10.945 ( 2.243 0.000 -3.676) 4.306 10.995 ( -1.656 0.000 -6.850) 7.047 ======================= Grid point 74 (37/64) ======================= q-point: (-0.20 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( -7.467 0.000 11.541) 13.746 0.611 ( -5.521 0.000 12.977) 14.102 0.823 ( -9.564 0.000 10.031) 13.859 0.882 ( -0.146 0.000 -6.302) 6.304 0.918 ( -0.137 0.000 1.307) 1.315 1.034 ( 1.351 0.000 -1.304) 1.878 1.086 ( -0.020 0.000 4.460) 4.460 1.152 ( -0.424 0.000 -1.972) 2.017 1.158 ( 0.683 0.000 -1.804) 1.929 1.248 ( -1.809 0.000 -1.556) 2.386 1.314 ( 1.074 0.000 2.309) 2.546 1.408 ( 1.059 0.000 -0.881) 1.378 1.409 ( 1.252 0.000 -1.036) 1.625 1.428 ( 0.385 0.000 1.490) 1.539 1.462 ( 0.453 0.000 1.468) 1.536 1.514 ( 1.065 0.000 -1.002) 1.463 1.541 ( -1.159 0.000 1.236) 1.695 1.587 ( -2.765 0.000 -1.012) 2.945 1.662 ( 1.597 0.000 1.547) 2.223 1.676 ( -1.378 0.000 -1.792) 2.261 1.683 ( 0.843 0.000 -3.655) 3.751 1.717 ( -1.397 0.000 2.417) 2.792 1.775 ( -2.100 0.000 -1.883) 2.821 1.789 ( 2.042 0.000 0.578) 2.122 1.843 ( 0.090 0.000 -1.533) 1.536 1.885 ( 0.673 0.000 1.628) 1.761 1.915 ( 0.207 0.000 -1.912) 1.924 1.960 ( -3.087 0.000 -1.698) 3.523 2.096 ( 0.975 0.000 2.460) 2.646 2.153 ( 0.432 0.000 -0.575) 0.720 2.169 ( -0.155 0.000 -0.204) 0.256 2.197 ( -0.508 0.000 0.023) 0.508 2.301 ( -0.956 0.000 -2.490) 2.667 2.376 ( 2.151 0.000 -2.952) 3.652 2.497 ( 1.350 0.000 5.393) 5.559 2.648 ( 1.147 0.000 -0.975) 1.505 2.751 ( 2.332 0.000 -1.798) 2.945 2.777 ( 1.696 0.000 -3.850) 4.207 2.784 ( 2.184 0.000 1.828) 2.848 2.877 ( 3.255 0.000 -1.284) 3.500 2.940 ( -2.609 0.000 0.898) 2.759 3.022 ( -0.198 0.000 -1.042) 1.061 3.208 ( -3.929 0.000 -1.353) 4.156 3.243 ( -2.836 0.000 0.624) 2.903 3.491 ( -0.863 0.000 3.044) 3.164 3.543 ( 0.165 0.000 3.554) 3.558 3.581 ( -0.572 0.000 -0.927) 1.090 3.604 ( 2.786 0.000 -2.380) 3.664 4.369 ( 0.325 0.000 0.939) 0.993 4.456 ( 0.243 0.000 -0.527) 0.581 4.515 ( -1.229 0.000 2.898) 3.147 4.635 ( 1.904 0.000 -3.764) 4.219 5.875 ( -0.805 0.000 -0.151) 0.819 5.922 ( -0.378 0.000 -2.580) 2.607 6.150 ( 1.114 0.000 1.403) 1.791 6.190 ( 1.134 0.000 -0.751) 1.360 6.340 ( -0.199 0.000 1.924) 1.935 6.364 ( -0.551 0.000 0.825) 0.992 7.143 ( -0.570 0.000 0.813) 0.993 7.184 ( -0.238 0.000 -0.785) 0.821 7.314 ( -1.124 0.000 0.830) 1.397 7.367 ( 0.598 0.000 1.304) 1.435 7.380 ( 0.153 0.000 -2.392) 2.397 7.405 ( 1.098 0.000 -0.868) 1.400 8.050 ( -0.166 0.000 0.417) 0.449 8.085 ( 0.489 0.000 -0.621) 0.790 8.462 ( -0.649 0.000 0.584) 0.873 8.473 ( -0.295 0.000 0.136) 0.325 8.762 ( 0.370 0.000 -3.232) 3.253 8.777 ( 1.189 0.000 -2.144) 2.452 8.901 ( -0.930 0.000 1.807) 2.032 8.992 ( 0.737 0.000 -2.596) 2.698 9.176 ( 0.314 0.000 1.467) 1.500 9.225 ( 0.802 0.000 -1.195) 1.439 9.245 ( 2.853 0.000 6.765) 7.342 9.338 ( 0.525 0.000 1.816) 1.890 9.670 ( -0.697 0.000 0.082) 0.701 9.671 ( -0.471 0.000 -0.679) 0.826 9.773 ( 2.696 0.000 2.518) 3.688 9.831 ( 1.427 0.000 -0.827) 1.649 10.768 ( -2.001 0.000 0.630) 2.097 10.870 ( -6.257 0.000 -5.515) 8.341 10.896 ( -0.257 0.000 2.379) 2.393 10.960 ( 1.455 0.000 -2.831) 3.183 ======================= Grid point 75 (38/64) ======================= q-point: ( 0.00 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( -0.306 -2.328 14.934) 15.118 0.575 ( -1.467 6.622 10.746) 12.707 0.907 ( 2.322 2.747 -5.558) 6.620 0.924 ( 0.892 2.039 2.306) 3.205 0.973 ( 1.096 3.440 -0.367) 3.629 1.053 ( -0.128 0.690 -3.285) 3.360 1.091 ( -0.623 -2.745 1.174) 3.050 1.168 ( 2.272 1.421 0.872) 2.818 1.186 ( -0.969 -1.135 -1.109) 1.859 1.261 ( 1.058 2.199 1.196) 2.718 1.264 ( -1.536 0.188 1.630) 2.248 1.376 ( -0.905 -0.685 1.191) 1.645 1.391 ( -1.480 -2.273 -1.726) 3.215 1.431 ( 0.315 -4.319 1.127) 4.475 1.450 ( -0.281 -1.917 -0.589) 2.025 1.496 ( 1.020 -0.246 -1.680) 1.981 1.504 ( 0.106 -2.029 -0.058) 2.033 1.554 ( -0.051 -0.975 -1.520) 1.806 1.624 ( -1.952 -0.584 0.261) 2.054 1.679 ( -0.433 0.737 1.207) 1.479 1.699 ( 2.587 -0.042 -2.094) 3.328 1.732 ( 0.022 0.779 3.327) 3.417 1.763 ( 0.799 0.736 -0.660) 1.271 1.823 ( -0.223 -0.019 0.671) 0.707 1.863 ( -0.106 -0.161 -1.581) 1.593 1.878 ( 0.148 1.026 -0.145) 1.047 1.899 ( 0.402 0.436 -1.346) 1.471 1.955 ( 1.108 0.248 0.286) 1.171 2.080 ( -0.317 -1.657 0.560) 1.777 2.119 ( -1.841 2.649 -0.531) 3.270 2.184 ( -0.333 1.694 -0.311) 1.754 2.225 ( -1.495 4.592 -3.560) 6.000 2.292 ( -1.018 2.095 2.600) 3.490 2.400 ( 1.516 -0.898 -2.096) 2.738 2.562 ( 1.502 -0.719 3.530) 3.903 2.644 ( 0.538 -3.564 -0.121) 3.607 2.695 ( 1.898 -3.784 -1.755) 4.582 2.747 ( -0.418 -1.269 -2.386) 2.734 2.882 ( -1.966 -0.290 1.519) 2.501 2.904 ( 1.357 0.451 0.739) 1.610 2.910 ( 0.602 2.002 0.443) 2.137 2.980 ( -2.781 1.611 -2.760) 4.237 3.141 ( 1.250 -3.368 1.821) 4.028 3.207 ( -1.532 -0.964 -1.358) 2.263 3.468 ( -1.938 0.133 2.825) 3.428 3.554 ( -0.152 -1.404 2.486) 2.859 3.569 ( 0.548 0.325 -1.210) 1.367 3.640 ( 2.204 -1.350 -1.465) 2.971 4.406 ( 0.789 1.390 1.216) 2.008 4.450 ( -0.714 0.464 -0.574) 1.027 4.504 ( -1.529 0.218 2.799) 3.196 4.637 ( 1.506 -1.165 -3.456) 3.946 5.863 ( -0.409 0.299 -0.187) 0.540 5.902 ( 0.535 -0.307 -1.963) 2.058 6.111 ( -1.312 -2.998 2.120) 3.899 6.157 ( 0.348 -3.541 -0.321) 3.573 6.392 ( -0.757 5.619 2.721) 6.289 6.464 ( 0.381 7.795 -0.772) 7.842 7.121 ( -0.122 -3.953 0.402) 3.975 7.135 ( -0.128 -2.786 -0.291) 2.804 7.281 ( -1.058 -0.668 1.540) 1.984 7.368 ( 0.505 0.112 -2.305) 2.363 7.403 ( 0.292 0.745 -0.332) 0.866 7.425 ( 0.692 0.249 -1.066) 1.295 8.063 ( 0.101 1.013 1.405) 1.735 8.126 ( 0.627 3.015 -1.596) 3.468 8.406 ( -0.609 -3.893 1.229) 4.128 8.443 ( -0.243 -2.083 -0.888) 2.277 8.744 ( -0.041 -0.293 -2.301) 2.320 8.766 ( -0.060 0.001 -2.871) 2.872 8.916 ( -0.632 2.464 2.382) 3.485 9.011 ( 0.612 1.722 -2.227) 2.882 9.155 ( 0.122 -5.121 3.333) 6.112 9.207 ( 0.087 -2.939 3.067) 4.249 9.245 ( 0.576 -3.421 -1.729) 3.876 9.275 ( -0.282 -4.422 0.055) 4.431 9.654 ( 0.357 0.375 0.816) 0.966 9.666 ( -0.440 -0.216 0.268) 0.559 9.874 ( 0.093 6.200 2.407) 6.652 10.031 ( 0.504 8.870 -6.494) 11.004 10.776 ( 2.156 2.326 -0.495) 3.210 10.782 ( -2.222 1.910 -0.539) 2.979 10.890 ( -0.967 -0.384 1.494) 1.820 10.964 ( 1.792 -1.406 -2.038) 3.057 ======================= Grid point 76 (39/64) ======================= q-point: ( 0.20 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( 3.936 4.488 8.935) 10.746 0.780 ( 7.282 0.234 10.078) 12.436 0.930 ( -0.018 0.148 -0.903) 0.915 0.954 ( 0.600 -0.388 -1.797) 1.934 0.978 ( 1.931 2.498 -4.455) 5.460 1.017 ( 0.193 -0.241 -3.540) 3.553 1.079 ( -1.331 -1.365 1.099) 2.201 1.139 ( -2.716 -1.487 -2.191) 3.794 1.196 ( 0.173 -1.374 0.584) 1.503 1.240 ( 2.599 1.171 1.069) 3.044 1.339 ( -0.361 -2.333 -1.846) 2.997 1.365 ( 0.733 -2.093 -0.226) 2.229 1.383 ( 1.033 -0.869 1.396) 1.942 1.443 ( 0.402 -0.062 2.978) 3.005 1.469 ( 1.916 -4.092 0.354) 4.532 1.504 ( 0.419 -1.129 0.659) 1.373 1.516 ( 1.724 -0.312 -1.640) 2.400 1.552 ( 0.547 -0.629 -1.306) 1.550 1.612 ( 0.758 -0.035 -0.527) 0.924 1.667 ( -0.444 1.574 0.345) 1.672 1.731 ( 0.113 -1.844 -0.720) 1.983 1.744 ( 0.555 -0.439 1.146) 1.346 1.789 ( 0.691 0.075 1.104) 1.305 1.825 ( -0.226 0.546 -0.291) 0.659 1.834 ( -0.417 -1.137 0.350) 1.261 1.881 ( 0.598 0.956 -1.219) 1.661 1.907 ( 0.343 0.812 0.579) 1.055 1.977 ( 0.766 2.963 -2.632) 4.037 2.060 ( -1.739 3.149 -0.531) 3.637 2.110 ( 2.054 2.223 1.964) 3.608 2.170 ( -0.644 2.665 0.999) 2.918 2.192 ( -1.248 2.294 -1.414) 2.970 2.277 ( -1.741 3.869 2.191) 4.775 2.384 ( -1.603 -0.137 -2.833) 3.258 2.588 ( -0.721 -2.220 2.125) 3.156 2.640 ( -0.294 -3.884 -0.753) 3.967 2.688 ( -2.739 -1.288 -3.419) 4.566 2.712 ( 0.337 -1.255 -1.639) 2.091 2.847 ( -2.226 0.878 1.487) 2.817 2.901 ( -2.490 1.982 -1.132) 3.377 2.928 ( 1.226 -0.729 0.710) 1.593 2.967 ( 1.976 1.201 1.080) 2.552 3.156 ( -0.268 -2.723 -0.050) 2.737 3.222 ( 3.377 -2.334 0.969) 4.218 3.446 ( -1.840 0.329 3.211) 3.715 3.550 ( -1.289 -2.511 1.254) 3.088 3.590 ( 1.896 0.261 -1.487) 2.423 3.658 ( 0.417 -0.826 -2.102) 2.296 4.408 ( -1.338 0.676 1.379) 2.037 4.430 ( -0.820 0.590 -0.489) 1.122 4.501 ( -0.164 0.289 2.213) 2.238 4.637 ( 0.492 -1.032 -3.309) 3.501 5.861 ( 0.278 0.095 0.108) 0.313 5.910 ( 1.232 -0.116 -1.666) 2.075 6.094 ( -1.486 -2.161 2.457) 3.594 6.156 ( -0.251 -3.353 -0.399) 3.386 6.390 ( -0.909 5.664 2.576) 6.288 6.466 ( 0.214 7.768 -0.824) 7.815 7.120 ( -0.147 -4.936 0.407) 4.955 7.136 ( 0.274 -2.330 -0.123) 2.349 7.278 ( -0.212 -0.054 2.056) 2.068 7.371 ( 0.935 0.159 -1.976) 2.192 7.399 ( -0.362 0.458 -0.681) 0.897 7.427 ( 0.228 0.218 -1.242) 1.281 8.072 ( -0.062 0.851 1.000) 1.314 8.127 ( 0.543 2.939 -1.981) 3.585 8.402 ( -0.575 -3.766 1.473) 4.085 8.438 ( 0.147 -2.050 -0.211) 2.066 8.721 ( -0.545 0.500 -1.625) 1.786 8.763 ( 1.000 0.088 -1.886) 2.136 8.917 ( -0.715 2.600 2.253) 3.514 9.011 ( 0.644 1.687 -2.245) 2.881 9.164 ( -0.837 -3.723 2.159) 4.384 9.223 ( -0.698 -4.615 3.209) 5.664 9.235 ( -0.367 -3.781 -1.804) 4.205 9.265 ( -0.404 -3.553 -0.422) 3.600 9.661 ( 0.269 0.373 0.265) 0.530 9.683 ( 1.443 0.842 0.820) 1.861 9.866 ( -2.072 6.177 1.774) 6.753 9.951 ( -3.790 7.735 -3.707) 9.377 10.772 ( 1.101 0.699 0.468) 1.386 10.849 ( 4.618 1.895 -2.298) 5.496 10.873 ( -1.417 -0.453 1.116) 1.860 10.994 ( 2.232 -1.515 -2.550) 3.712 ======================= Grid point 77 (40/64) ======================= q-point: (-0.60 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( 0.562 2.386 5.936) 6.423 0.890 ( -2.617 3.414 -0.177) 4.306 0.915 ( 0.163 0.198 -0.749) 0.792 0.951 ( 0.180 1.929 -1.410) 2.396 0.953 ( 0.352 0.391 0.235) 0.576 1.016 ( 2.583 2.561 -1.614) 3.980 1.066 ( -0.155 0.754 2.551) 2.665 1.142 ( 0.886 0.784 0.146) 1.192 1.203 ( 0.033 -3.465 0.215) 3.472 1.288 ( 2.064 -0.682 -0.728) 2.293 1.333 ( -1.048 -1.853 -0.141) 2.134 1.373 ( 0.922 -1.408 -1.461) 2.229 1.380 ( 0.357 -1.762 2.531) 3.105 1.458 ( -1.481 1.896 -0.491) 2.456 1.473 ( -0.420 -0.252 -1.759) 1.826 1.533 ( -0.244 0.520 -0.878) 1.049 1.541 ( 1.956 -4.195 -0.292) 4.637 1.588 ( 2.572 -1.573 1.564) 3.396 1.634 ( 1.915 -1.288 -1.577) 2.795 1.678 ( 0.892 0.709 -0.292) 1.176 1.700 ( -1.452 0.461 -1.741) 2.314 1.759 ( 0.242 -1.503 3.279) 3.615 1.770 ( -1.412 0.006 -1.245) 1.883 1.815 ( -2.734 -0.539 0.072) 2.788 1.837 ( 0.260 0.262 -0.069) 0.375 1.887 ( 0.050 -0.453 -0.210) 0.502 1.947 ( 3.673 2.559 -1.213) 4.638 1.981 ( 2.299 3.165 -1.396) 4.153 2.054 ( -0.659 -0.863 2.042) 2.313 2.102 ( -3.915 0.998 -1.790) 4.419 2.178 ( -0.174 2.124 2.724) 3.458 2.189 ( 2.209 2.787 1.568) 3.886 2.252 ( -1.481 4.291 1.139) 4.681 2.346 ( 0.375 1.423 -2.020) 2.499 2.561 ( -2.803 -2.460 1.335) 3.961 2.626 ( 0.047 -1.355 -2.487) 2.833 2.641 ( 0.030 -3.530 -1.023) 3.675 2.694 ( -0.608 -1.305 -2.261) 2.680 2.819 ( -0.903 2.597 1.044) 2.942 2.855 ( -1.109 3.316 -0.585) 3.545 2.962 ( 1.327 -1.409 0.882) 2.127 2.985 ( -0.699 -1.066 0.477) 1.362 3.190 ( 2.851 -3.038 1.864) 4.564 3.293 ( 2.023 -3.091 0.151) 3.698 3.434 ( -1.054 0.113 3.606) 3.758 3.530 ( -0.914 -1.997 0.970) 2.401 3.606 ( 0.240 -0.032 -2.815) 2.825 3.633 ( -0.891 0.015 -2.453) 2.610 4.383 ( -1.799 0.504 1.983) 2.725 4.420 ( 0.473 -0.034 -0.824) 0.951 4.513 ( 0.034 0.130 1.649) 1.654 4.623 ( 0.217 -0.963 -3.133) 3.285 5.874 ( 0.599 -0.232 0.431) 0.773 5.925 ( 1.005 -0.514 -1.555) 1.921 6.085 ( -0.729 -1.521 2.252) 2.814 6.145 ( -0.346 -2.850 -0.590) 2.931 6.387 ( -0.924 5.782 2.611) 6.411 6.464 ( 0.112 7.767 -0.802) 7.809 7.121 ( 0.003 -5.095 0.525) 5.122 7.140 ( 0.244 -2.579 -0.236) 2.601 7.295 ( 0.345 0.159 2.390) 2.420 7.379 ( 0.328 0.621 -0.688) 0.983 7.386 ( 0.171 0.060 -1.678) 1.688 7.419 ( -0.171 0.423 -1.765) 1.823 8.070 ( -0.492 0.844 0.593) 1.142 8.123 ( 0.296 2.949 -2.127) 3.648 8.403 ( -0.206 -4.033 1.736) 4.396 8.446 ( 0.527 -2.145 0.056) 2.209 8.716 ( 0.636 0.684 -0.093) 0.939 8.772 ( 0.791 -0.079 -1.640) 1.822 8.914 ( -0.815 2.344 2.133) 3.273 9.011 ( 0.683 1.484 -2.314) 2.833 9.151 ( -1.609 -3.598 2.098) 4.465 9.206 ( -1.640 -3.484 1.351) 4.080 9.227 ( -0.007 -2.538 -0.476) 2.582 9.260 ( 0.102 -2.372 -0.507) 2.428 9.674 ( 0.498 0.850 0.715) 1.217 9.715 ( 0.851 1.927 0.527) 2.172 9.820 ( -2.509 6.016 0.654) 6.551 9.879 ( -1.211 5.572 -1.594) 5.921 10.812 ( 1.761 -0.447 1.454) 2.327 10.847 ( -1.603 -0.486 1.008) 1.954 10.915 ( 3.218 0.841 -2.927) 4.431 11.011 ( 1.097 -1.542 -3.907) 4.341 ======================= Grid point 78 (41/64) ======================= q-point: (-0.40 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( -9.586 2.942 4.862) 11.144 0.818 ( -3.804 7.419 6.147) 10.359 0.912 ( -0.196 0.692 0.237) 0.757 0.951 ( 0.089 0.956 -3.942) 4.057 0.980 ( 0.289 2.621 -1.062) 2.842 1.059 ( 1.680 4.209 -1.797) 4.876 1.100 ( 0.148 0.978 2.774) 2.945 1.138 ( -0.164 -1.144 -1.657) 2.020 1.200 ( -1.180 -0.762 1.157) 1.820 1.255 ( -3.461 -2.876 0.964) 4.602 1.315 ( -0.799 0.976 -0.387) 1.319 1.382 ( 1.108 -1.674 1.293) 2.387 1.410 ( -1.158 0.218 -0.753) 1.398 1.435 ( -0.642 1.592 -0.764) 1.879 1.439 ( 0.237 1.658 2.293) 2.839 1.518 ( 0.038 0.307 -1.396) 1.430 1.572 ( -1.609 -3.109 -0.702) 3.570 1.586 ( -0.309 1.285 1.394) 1.920 1.646 ( -1.099 0.434 -1.388) 1.823 1.674 ( 1.023 -2.796 -1.319) 3.257 1.705 ( -2.007 0.330 -2.610) 3.309 1.727 ( 2.303 0.385 0.112) 2.338 1.761 ( -1.267 -0.005 1.832) 2.228 1.802 ( 0.875 -0.310 -0.133) 0.938 1.850 ( 1.341 0.394 0.804) 1.612 1.879 ( -1.048 -0.509 -1.098) 1.601 1.947 ( -3.100 0.285 -1.544) 3.474 2.026 ( -2.694 -1.361 0.650) 3.088 2.042 ( 4.551 2.536 -0.538) 5.238 2.076 ( 1.461 -2.790 0.773) 3.243 2.182 ( -0.689 1.355 1.376) 2.051 2.237 ( 0.217 1.724 2.464) 3.015 2.263 ( 3.496 1.412 -0.376) 3.789 2.359 ( 1.798 0.656 -3.263) 3.783 2.503 ( -3.331 -0.682 2.126) 4.010 2.624 ( 0.428 -2.684 -1.435) 3.074 2.657 ( 1.289 -1.579 -1.586) 2.583 2.686 ( 1.922 -3.304 -1.303) 4.039 2.835 ( 1.774 4.141 0.575) 4.542 2.854 ( 1.326 3.374 -0.656) 3.684 2.956 ( -1.935 -2.330 0.881) 3.154 2.996 ( 1.392 -1.004 0.339) 1.749 3.241 ( -1.256 -3.850 1.019) 4.176 3.278 ( -1.188 -3.031 -0.804) 3.353 3.462 ( 0.840 0.318 3.654) 3.763 3.528 ( -0.483 -0.510 2.309) 2.414 3.568 ( -0.416 0.425 -2.672) 2.738 3.612 ( -0.271 -0.583 -2.877) 2.948 4.370 ( -0.483 0.626 1.498) 1.694 4.437 ( 1.320 -0.410 -0.453) 1.455 4.519 ( -0.449 0.153 1.819) 1.880 4.615 ( 0.926 -1.027 -3.209) 3.494 5.883 ( -0.017 -0.242 0.302) 0.387 5.927 ( 0.143 -1.032 -1.854) 2.127 6.093 ( 0.240 -1.640 2.060) 2.644 6.140 ( 0.283 -2.749 -0.581) 2.824 6.386 ( -0.766 5.827 2.779) 6.501 6.462 ( 0.172 7.729 -0.777) 7.770 7.123 ( -0.156 -4.270 0.447) 4.296 7.143 ( 0.173 -3.171 -0.363) 3.197 7.310 ( -0.499 -0.563 1.983) 2.120 7.375 ( 0.346 0.807 -0.160) 0.893 7.394 ( 0.938 0.224 -1.875) 2.109 7.401 ( -0.164 0.779 -1.824) 1.991 8.062 ( -0.655 1.023 0.783) 1.445 8.117 ( 0.429 3.009 -1.761) 3.513 8.410 ( -0.259 -4.290 1.613) 4.591 8.454 ( 0.374 -2.262 -0.509) 2.349 8.742 ( 1.573 -0.022 0.385) 1.620 8.772 ( 0.396 -0.182 -2.191) 2.234 8.912 ( -0.680 1.974 2.302) 3.108 9.011 ( 0.758 1.366 -2.397) 2.861 9.130 ( -1.748 -3.570 3.105) 5.044 9.188 ( -0.954 -1.810 1.817) 2.737 9.227 ( 0.613 -1.055 -1.235) 1.736 9.263 ( 0.426 -2.778 -0.128) 2.813 9.676 ( -1.087 0.744 1.055) 1.688 9.708 ( -1.232 1.421 -0.114) 1.884 9.804 ( 0.469 5.949 1.401) 6.129 9.894 ( 3.653 6.358 -1.745) 7.537 10.807 ( -2.164 -0.148 0.997) 2.387 10.862 ( 1.286 -0.971 1.705) 2.346 10.945 ( 1.458 -0.041 -2.631) 3.008 10.981 ( -1.578 -1.147 -5.302) 5.649 ======================= Grid point 79 (42/64) ======================= q-point: (-0.20 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.527 ( -6.972 1.144 10.002) 12.245 0.722 ( -11.679 6.953 7.064) 15.318 0.897 ( -1.009 3.284 3.481) 4.891 0.931 ( 0.394 4.255 -5.794) 7.200 0.944 ( -0.514 2.758 1.286) 3.086 1.054 ( -0.197 2.001 0.551) 2.085 1.100 ( -0.835 0.585 1.272) 1.631 1.145 ( 1.554 0.535 -1.211) 2.042 1.172 ( 0.126 1.614 1.716) 2.359 1.242 ( -1.766 -1.234 -0.447) 2.200 1.313 ( 0.150 0.272 1.993) 2.017 1.378 ( -0.183 0.159 -1.888) 1.903 1.412 ( -0.064 -1.030 0.609) 1.198 1.423 ( -0.252 -3.143 1.560) 3.518 1.466 ( 0.227 1.058 1.688) 2.005 1.500 ( -0.660 -1.629 -1.983) 2.650 1.508 ( -1.054 -1.306 -2.421) 2.946 1.603 ( -3.186 -1.400 -2.177) 4.105 1.639 ( 1.650 0.698 2.234) 2.864 1.656 ( 1.443 -0.838 -1.171) 2.039 1.685 ( -0.533 -2.012 -0.875) 2.258 1.714 ( -1.249 1.222 1.280) 2.166 1.779 ( -1.085 0.788 -0.157) 1.350 1.823 ( 1.924 1.812 0.473) 2.685 1.843 ( -0.671 0.179 -1.724) 1.859 1.874 ( 0.885 -0.675 -0.215) 1.134 1.912 ( 0.150 -0.469 -1.453) 1.534 1.964 ( -2.293 0.315 -1.025) 2.531 2.090 ( -0.353 -2.242 1.063) 2.506 2.120 ( 1.456 0.541 1.266) 2.004 2.181 ( 0.257 1.228 0.222) 1.274 2.257 ( 0.323 3.351 1.162) 3.562 2.304 ( -0.119 -0.140 -2.081) 2.089 2.373 ( 1.876 -0.088 -2.843) 3.407 2.498 ( 1.346 0.227 4.634) 4.831 2.626 ( 0.900 -2.160 -1.097) 2.584 2.673 ( 1.406 -5.047 -1.610) 5.481 2.731 ( 2.408 -1.879 -1.175) 3.273 2.874 ( 1.492 3.219 0.181) 3.553 2.888 ( 1.623 1.622 -0.242) 2.307 2.919 ( -1.955 -1.412 0.828) 2.549 3.022 ( 0.684 0.207 -1.009) 1.237 3.158 ( -3.912 -3.854 -0.709) 5.537 3.254 ( -2.143 -0.412 -0.406) 2.220 3.481 ( -0.795 -0.472 2.782) 2.931 3.536 ( -0.086 -0.593 3.037) 3.096 3.580 ( -0.200 -0.144 -0.756) 0.795 3.597 ( 2.336 -0.720 -2.337) 3.382 4.380 ( 0.714 1.163 1.059) 1.728 4.456 ( 0.478 -0.084 -0.188) 0.521 4.517 ( -1.078 0.219 2.313) 2.561 4.623 ( 1.756 -1.177 -3.407) 4.009 5.876 ( -0.612 0.105 -0.110) 0.631 5.912 ( -0.201 -0.836 -2.114) 2.283 6.112 ( 0.113 -2.745 1.818) 3.294 6.148 ( 0.636 -3.241 -0.373) 3.324 6.389 ( -0.656 5.698 2.842) 6.401 6.462 ( 0.287 7.775 -0.761) 7.817 7.121 ( -0.212 -3.516 0.371) 3.542 7.141 ( -0.138 -3.390 -0.433) 3.420 7.298 ( -1.344 -1.002 1.357) 2.157 7.379 ( -0.036 0.156 -2.533) 2.538 7.392 ( 0.881 1.113 -0.024) 1.420 7.412 ( 1.077 0.522 -0.921) 1.510 8.057 ( -0.358 1.114 1.163) 1.649 8.120 ( 0.730 3.081 -1.383) 3.455 8.410 ( -0.535 -4.276 1.310) 4.504 8.453 ( -0.052 -2.183 -0.989) 2.398 8.755 ( 0.246 -0.323 -2.455) 2.488 8.776 ( 0.879 -0.703 -1.767) 2.095 8.914 ( -0.574 1.888 2.454) 3.149 9.012 ( 0.713 1.546 -2.323) 2.880 9.129 ( -0.347 -4.609 4.216) 6.256 9.191 ( -0.230 -1.566 2.681) 3.113 9.236 ( 1.151 -1.115 -1.914) 2.496 9.273 ( 0.338 -3.913 0.381) 3.946 9.655 ( -0.981 0.222 0.679) 1.214 9.682 ( -1.241 0.255 0.311) 1.304 9.840 ( 1.539 6.131 2.064) 6.650 9.984 ( 5.977 8.828 -3.835) 11.330 10.771 ( -1.387 0.593 0.389) 1.558 10.879 ( -3.764 0.369 -2.875) 4.751 10.891 ( -0.946 -0.252 0.502) 1.101 10.951 ( 0.893 -0.844 -2.280) 2.590 ======================= Grid point 80 (43/64) ======================= q-point: ( 0.00 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( 0.783 7.143 6.173) 9.473 0.762 ( -2.688 10.033 5.596) 11.798 0.939 ( 0.472 -1.645 1.853) 2.522 0.968 ( 0.908 2.379 -4.047) 4.782 1.019 ( -2.557 -1.979 -4.918) 5.885 1.032 ( 0.482 1.830 -2.938) 3.494 1.088 ( -0.264 2.104 -1.704) 2.720 1.129 ( -2.514 -2.896 -4.443) 5.869 1.199 ( 2.587 1.052 -1.252) 3.060 1.218 ( -2.403 -5.724 -1.850) 6.478 1.280 ( -0.394 -1.015 0.111) 1.095 1.338 ( -1.958 -1.618 -1.167) 2.795 1.354 ( 0.282 -1.728 0.895) 1.966 1.373 ( -0.313 -1.351 2.222) 2.620 1.407 ( -0.469 -1.149 -0.210) 1.259 1.454 ( 0.939 -2.247 -1.088) 2.667 1.523 ( 1.219 0.718 0.603) 1.538 1.531 ( -0.508 0.026 0.659) 0.832 1.631 ( -0.481 1.069 -0.357) 1.226 1.663 ( 1.298 -1.010 -1.299) 2.095 1.731 ( -0.810 1.376 1.315) 2.068 1.764 ( 0.424 1.685 1.317) 2.180 1.773 ( -1.080 0.393 -0.675) 1.333 1.819 ( 0.065 0.314 1.536) 1.569 1.844 ( -0.898 -1.525 -2.349) 2.941 1.878 ( 0.537 -0.869 -1.778) 2.050 1.917 ( 0.431 1.605 2.143) 2.712 1.964 ( 0.260 0.069 0.658) 0.711 2.086 ( 3.209 2.635 3.913) 5.706 2.179 ( -0.027 2.253 0.841) 2.405 2.230 ( 0.157 2.957 1.652) 3.391 2.301 ( 0.001 0.939 -0.912) 1.309 2.344 ( 1.407 3.537 0.851) 3.900 2.390 ( 0.738 0.281 -1.832) 1.995 2.543 ( -0.477 -3.192 1.795) 3.693 2.566 ( 0.889 -1.037 -0.139) 1.373 2.614 ( 2.264 -3.943 -0.327) 4.558 2.703 ( -0.253 -3.219 -1.693) 3.646 2.869 ( -1.174 -0.272 1.958) 2.299 2.897 ( -0.005 -0.676 0.374) 0.773 2.966 ( 0.268 2.518 0.780) 2.650 3.020 ( -1.831 1.952 -1.671) 3.155 3.078 ( 0.932 -2.097 1.528) 2.756 3.168 ( -2.051 -2.750 -2.248) 4.102 3.474 ( -1.386 0.513 1.791) 2.322 3.520 ( -1.076 -1.687 1.700) 2.625 3.572 ( 0.990 -0.021 -1.518) 1.813 3.605 ( 2.003 -1.847 -1.519) 3.120 4.437 ( 0.234 1.403 1.171) 1.842 4.458 ( -0.531 0.263 0.761) 0.965 4.517 ( -0.621 1.255 0.751) 1.589 4.603 ( 1.273 -2.160 -2.576) 3.594 5.871 ( -0.323 0.442 -0.186) 0.578 5.893 ( 0.555 -0.510 -1.203) 1.419 6.064 ( -0.645 -1.424 1.198) 1.969 6.092 ( 0.237 -2.605 -0.337) 2.638 6.553 ( -0.883 9.778 2.474) 10.125 6.649 ( 0.656 9.991 -2.073) 10.225 6.981 ( -0.687 -8.923 1.197) 9.029 7.041 ( 0.490 -7.020 -1.646) 7.227 7.294 ( -0.597 1.914 1.806) 2.698 7.379 ( 0.626 0.580 -2.329) 2.481 7.396 ( -0.027 -1.201 0.054) 1.203 7.423 ( 0.575 -0.465 -1.231) 1.436 8.106 ( -0.280 3.213 2.033) 3.813 8.196 ( 0.473 3.288 -2.275) 4.026 8.316 ( -0.256 -4.293 1.767) 4.650 8.386 ( 0.183 -3.473 -1.883) 3.955 8.743 ( 0.059 0.151 -1.464) 1.473 8.759 ( 0.374 -0.522 -1.742) 1.856 8.966 ( -0.429 1.892 2.071) 2.838 9.040 ( 0.497 -0.476 -1.110) 1.306 9.062 ( -0.540 -1.047 1.950) 2.279 9.133 ( 0.270 -4.015 -0.771) 4.097 9.200 ( -0.494 -0.146 0.603) 0.793 9.241 ( 0.248 -1.138 -1.310) 1.752 9.660 ( 0.305 0.187 0.808) 0.884 9.663 ( -0.200 -0.012 0.648) 0.678 10.007 ( 0.056 6.146 1.365) 6.296 10.130 ( 0.220 1.306 -4.785) 4.965 10.823 ( 1.499 2.482 -0.330) 2.918 10.829 ( -1.101 2.051 -1.092) 2.571 10.879 ( -0.704 -0.672 0.726) 1.214 10.926 ( 1.283 -2.244 -1.371) 2.926 ======================= Grid point 81 (44/64) ======================= q-point: ( 0.20 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 4.633 4.471 7.866) 10.165 0.841 ( 4.770 5.858 5.789) 9.517 0.929 ( -0.236 -2.004 -8.792) 9.020 0.947 ( -0.016 -0.467 2.267) 2.315 0.991 ( 1.952 0.678 -1.929) 2.827 1.024 ( 0.905 0.339 -2.269) 2.466 1.072 ( -0.592 -0.926 -0.413) 1.174 1.110 ( 2.770 1.725 -1.555) 3.614 1.192 ( -0.289 -1.607 -0.576) 1.732 1.261 ( 2.256 -0.689 0.328) 2.381 1.298 ( -0.403 -2.195 0.100) 2.234 1.302 ( 0.435 -2.245 1.448) 2.707 1.352 ( 0.676 -1.256 0.454) 1.497 1.378 ( -0.823 -2.466 -0.203) 2.608 1.402 ( 1.185 -2.165 0.756) 2.581 1.462 ( 0.658 -3.504 -1.170) 3.752 1.546 ( 0.558 0.458 0.304) 0.783 1.548 ( 1.259 1.424 -0.197) 1.911 1.616 ( -0.615 0.852 -0.213) 1.072 1.676 ( 0.112 -1.237 -0.959) 1.569 1.717 ( -0.932 0.390 0.447) 1.105 1.742 ( -0.782 0.047 1.536) 1.725 1.786 ( 0.043 -0.442 -0.028) 0.445 1.810 ( -0.879 -1.385 -0.176) 1.649 1.828 ( -0.140 0.490 -0.036) 0.511 1.879 ( 0.649 -0.838 -0.948) 1.422 1.942 ( 1.077 2.077 1.182) 2.621 1.987 ( 1.126 -0.587 1.196) 1.745 2.167 ( -0.516 5.143 -3.046) 6.000 2.185 ( 3.293 4.980 1.981) 6.290 2.226 ( -1.041 3.242 1.784) 3.844 2.273 ( -1.558 3.680 -1.686) 4.337 2.369 ( 0.441 4.689 -0.748) 4.769 2.386 ( 0.045 0.461 -1.899) 1.955 2.531 ( -0.987 -3.726 0.742) 3.926 2.568 ( -0.284 -1.466 -0.551) 1.591 2.649 ( -2.859 -2.696 -2.906) 4.888 2.657 ( 0.944 -4.047 -0.301) 4.166 2.859 ( -0.876 0.454 2.269) 2.474 2.905 ( 0.355 -1.369 0.788) 1.618 2.955 ( -1.648 2.847 0.458) 3.321 2.999 ( 0.010 2.350 0.174) 2.357 3.086 ( -1.010 -3.819 0.337) 3.965 3.158 ( 2.272 -3.890 0.675) 4.555 3.453 ( -1.718 0.313 2.249) 2.847 3.496 ( -1.582 -2.353 0.958) 2.993 3.592 ( 1.655 0.126 -1.781) 2.434 3.632 ( 1.311 -1.582 -1.795) 2.728 4.425 ( -1.568 0.869 0.795) 1.961 4.440 ( -1.599 0.308 0.833) 1.829 4.518 ( 0.208 1.527 0.475) 1.613 4.605 ( 0.439 -2.053 -2.511) 3.273 5.867 ( 0.091 0.507 -0.090) 0.523 5.901 ( 0.751 -0.776 -1.020) 1.485 6.059 ( -0.435 -1.013 1.117) 1.570 6.094 ( 0.110 -2.519 -0.283) 2.537 6.549 ( -0.889 9.562 2.562) 9.940 6.650 ( 0.718 10.015 -2.047) 10.248 6.974 ( -0.714 -8.956 1.457) 9.102 7.043 ( 0.686 -6.913 -1.588) 7.127 7.299 ( -0.057 1.955 1.880) 2.713 7.382 ( 0.907 0.319 -2.303) 2.495 7.391 ( -0.346 -0.705 -0.052) 0.787 7.426 ( 0.430 -0.447 -1.257) 1.401 8.112 ( -0.380 3.059 1.870) 3.605 8.194 ( 0.709 3.127 -2.252) 3.918 8.316 ( -0.716 -4.069 1.485) 4.390 8.380 ( 0.383 -3.446 -1.457) 3.760 8.734 ( -0.037 0.720 -1.217) 1.415 8.760 ( 0.743 -0.379 -1.550) 1.760 8.968 ( -0.580 1.825 1.945) 2.730 9.040 ( 0.249 -0.140 -1.512) 1.539 9.064 ( -0.575 -2.347 2.301) 3.337 9.132 ( 0.193 -3.715 -1.153) 3.894 9.195 ( -0.403 -0.138 0.944) 1.036 9.239 ( 0.268 -1.133 -1.019) 1.547 9.671 ( 0.979 0.764 0.453) 1.322 9.696 ( 2.238 0.169 0.611) 2.326 9.988 ( -2.517 5.241 1.220) 5.940 10.059 ( -3.884 2.643 -3.379) 5.787 10.798 ( -0.233 1.684 0.076) 1.702 10.858 ( -1.358 -0.932 0.582) 1.746 10.886 ( 3.373 1.621 -1.639) 4.086 10.956 ( 2.087 -2.010 -1.686) 3.352 ======================= Grid point 82 (45/64) ======================= q-point: (-0.60 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( 1.002 4.304 3.028) 5.357 0.915 ( 0.582 0.911 -2.064) 2.330 0.948 ( 2.985 0.340 0.837) 3.119 0.969 ( 0.641 -1.338 -1.300) 1.972 0.995 ( 1.094 3.998 0.304) 4.156 1.069 ( 1.747 1.609 1.121) 2.626 1.082 ( 2.386 1.693 3.985) 4.943 1.157 ( -2.131 0.619 0.802) 2.360 1.188 ( 2.666 2.915 -1.767) 4.327 1.275 ( -1.586 0.316 -0.136) 1.623 1.285 ( 1.153 -3.766 0.489) 3.968 1.318 ( -0.735 -3.970 1.465) 4.295 1.375 ( 1.599 1.602 0.359) 2.292 1.425 ( 3.972 -4.586 1.728) 6.309 1.448 ( 1.823 -1.645 0.436) 2.494 1.483 ( 1.910 -2.788 -0.552) 3.425 1.542 ( -0.227 -0.211 0.510) 0.597 1.566 ( 0.808 1.653 -1.121) 2.154 1.612 ( -0.297 -1.522 0.855) 1.770 1.661 ( -0.054 -1.484 -1.361) 2.014 1.712 ( -0.417 0.260 0.056) 0.494 1.747 ( 1.012 0.419 2.190) 2.448 1.768 ( -0.768 -0.633 -0.716) 1.226 1.797 ( -1.464 -0.490 1.082) 1.885 1.839 ( 0.717 -0.057 0.876) 1.134 1.880 ( -0.332 -0.408 -0.859) 1.007 1.975 ( 1.370 0.869 0.831) 1.823 2.009 ( -0.038 -1.154 1.407) 1.820 2.128 ( -0.260 7.432 -6.473) 9.860 2.146 ( -4.947 3.581 -2.364) 6.548 2.217 ( -2.192 1.892 -0.577) 2.952 2.260 ( 0.601 2.396 0.371) 2.498 2.350 ( -1.476 4.496 -1.887) 5.094 2.372 ( 0.518 0.973 -2.946) 3.145 2.517 ( -1.195 -1.696 1.347) 2.474 2.565 ( 0.521 -2.850 -0.257) 2.908 2.593 ( -0.420 -1.908 -1.917) 2.737 2.646 ( -1.074 -3.372 -1.844) 3.990 2.867 ( 0.283 1.706 2.710) 3.214 2.912 ( -0.470 -0.884 1.002) 1.416 2.943 ( -0.089 2.307 1.167) 2.587 2.979 ( -0.945 1.836 -0.380) 2.100 3.108 ( 2.126 -4.729 1.795) 5.487 3.197 ( 0.288 -5.983 0.032) 5.990 3.442 ( -0.183 0.700 2.711) 2.806 3.492 ( 0.214 -1.686 2.224) 2.799 3.603 ( 0.398 -0.022 -2.642) 2.672 3.628 ( -0.366 -0.608 -2.483) 2.582 4.398 ( -1.529 0.816 1.308) 2.171 4.418 ( -0.422 -0.165 -0.129) 0.471 4.524 ( 0.084 1.059 0.507) 1.177 4.594 ( 0.081 -1.805 -2.358) 2.970 5.873 ( 0.416 0.266 0.071) 0.499 5.907 ( 0.397 -1.111 -1.019) 1.560 6.060 ( -0.130 -0.719 0.996) 1.236 6.093 ( -0.007 -2.154 -0.360) 2.184 6.549 ( -0.735 9.677 2.725) 10.080 6.652 ( 0.622 10.298 -2.053) 10.519 6.973 ( -0.340 -9.067 1.781) 9.246 7.047 ( 0.616 -6.890 -1.669) 7.116 7.310 ( -0.085 1.410 1.950) 2.407 7.376 ( -0.385 -1.039 -0.594) 1.257 7.395 ( 0.985 0.897 -1.499) 2.005 7.424 ( 0.134 -0.137 -1.635) 1.646 8.112 ( -0.602 3.224 1.621) 3.658 8.194 ( 0.671 3.793 -2.402) 4.539 8.310 ( -0.625 -4.700 1.725) 5.045 8.383 ( 0.658 -3.822 -1.347) 4.105 8.732 ( 0.437 0.876 -0.584) 1.140 8.766 ( 0.589 -0.568 -1.441) 1.657 8.965 ( -0.668 2.135 1.579) 2.739 9.034 ( 0.207 -0.023 -1.636) 1.650 9.065 ( -0.701 -2.524 2.175) 3.404 9.129 ( 0.251 -3.359 -1.166) 3.564 9.196 ( -0.172 -0.029 1.167) 1.180 9.240 ( 0.405 -1.044 -0.856) 1.410 9.699 ( 1.024 1.658 0.690) 2.067 9.744 ( 1.580 0.477 -0.059) 1.651 9.935 ( -2.554 4.655 0.412) 5.325 9.974 ( -1.977 3.122 -1.441) 3.966 10.810 ( 0.892 0.279 0.668) 1.149 10.835 ( -1.210 -0.653 0.552) 1.481 10.931 ( 1.946 0.740 -1.833) 2.773 10.976 ( 0.927 -1.669 -2.525) 3.166 ======================= Grid point 83 (46/64) ======================= q-point: (-0.40 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( -7.009 6.238 1.692) 9.535 0.905 ( -0.049 0.639 0.964) 1.158 0.962 ( 0.898 2.714 -0.117) 2.861 0.973 ( 1.065 1.178 -3.319) 3.679 1.057 ( -0.904 5.324 3.221) 6.288 1.117 ( -1.070 -0.482 -0.203) 1.191 1.132 ( 1.497 1.884 0.030) 2.406 1.156 ( 2.740 4.425 -0.428) 5.222 1.182 ( -0.079 -0.842 2.397) 2.542 1.223 ( -2.432 -0.066 -1.307) 2.761 1.307 ( -0.127 -1.924 -1.282) 2.316 1.318 ( 1.791 -4.013 1.180) 4.550 1.409 ( -0.137 0.692 2.223) 2.332 1.441 ( -1.672 -0.574 -0.321) 1.797 1.485 ( -1.120 1.614 1.562) 2.510 1.499 ( -0.313 -2.335 -0.193) 2.363 1.526 ( -1.167 -1.923 -3.013) 3.760 1.590 ( 0.730 -0.309 0.097) 0.799 1.622 ( 1.265 -2.260 0.239) 2.601 1.658 ( 0.144 -1.124 -2.146) 2.427 1.710 ( -2.348 1.864 0.392) 3.024 1.747 ( 1.569 0.686 -0.023) 1.712 1.770 ( 0.146 1.306 2.065) 2.448 1.805 ( 0.902 -0.250 0.319) 0.989 1.852 ( 0.077 -0.313 0.343) 0.470 1.863 ( 0.169 0.744 0.503) 0.914 1.976 ( -3.929 2.366 -0.467) 4.610 1.993 ( -1.119 -1.115 1.049) 1.896 2.032 ( -1.467 -1.311 -0.597) 2.056 2.130 ( 2.463 5.367 -2.794) 6.533 2.191 ( -0.774 -1.775 1.534) 2.470 2.235 ( -1.235 -0.270 -0.804) 1.498 2.325 ( 0.239 3.104 -1.452) 3.435 2.375 ( 1.448 0.678 -3.349) 3.711 2.500 ( -1.358 0.498 2.127) 2.572 2.561 ( 0.181 -2.880 -1.158) 3.110 2.611 ( -0.626 -3.304 -1.906) 3.866 2.623 ( 2.655 -2.500 -0.421) 3.671 2.892 ( -0.089 0.016 2.152) 2.154 2.902 ( -0.760 0.317 1.335) 1.569 2.946 ( 0.178 3.193 0.216) 3.205 2.997 ( 2.612 2.381 -0.318) 3.548 3.133 ( -2.270 -6.091 0.709) 6.539 3.197 ( 1.571 -4.887 -0.199) 5.137 3.476 ( 0.824 0.924 3.140) 3.375 3.515 ( 0.130 -0.820 2.784) 2.905 3.574 ( -0.668 0.310 -3.348) 3.428 3.602 ( -0.589 -0.526 -2.611) 2.728 4.389 ( 0.037 1.142 1.192) 1.651 4.426 ( 1.034 -0.654 0.075) 1.226 4.528 ( -0.115 0.758 0.703) 1.040 4.586 ( 0.569 -1.703 -2.333) 2.944 5.880 ( 0.157 0.042 0.052) 0.170 5.904 ( -0.019 -1.059 -1.215) 1.612 6.065 ( -0.057 -0.926 1.024) 1.382 6.090 ( 0.032 -2.013 -0.440) 2.061 6.552 ( -0.636 9.966 2.747) 10.357 6.651 ( 0.519 10.409 -2.078) 10.627 6.979 ( -0.110 -9.077 1.696) 9.234 7.047 ( 0.399 -6.983 -1.780) 7.218 7.312 ( -0.924 0.977 1.817) 2.260 7.371 ( 0.273 -0.907 -0.118) 0.954 7.405 ( 0.764 0.502 -1.758) 1.982 7.414 ( 0.066 0.278 -1.649) 1.673 8.108 ( -0.758 3.467 1.649) 3.913 8.194 ( 0.781 4.290 -2.363) 4.960 8.310 ( -0.569 -5.185 1.930) 5.562 8.389 ( 0.747 -4.066 -1.718) 4.477 8.743 ( 0.732 0.200 -0.173) 0.778 8.764 ( 0.242 -0.557 -1.802) 1.902 8.962 ( -0.506 2.447 1.500) 2.914 9.031 ( 0.416 -0.140 -1.406) 1.473 9.063 ( -0.629 -1.674 1.949) 2.645 9.128 ( 0.256 -3.367 -0.898) 3.494 9.202 ( 0.004 -0.027 1.086) 1.086 9.243 ( 0.417 -0.928 -1.121) 1.514 9.700 ( -1.652 1.420 1.051) 2.418 9.732 ( -2.198 0.519 -0.406) 2.294 9.924 ( 1.382 5.275 0.554) 5.481 9.994 ( 4.544 2.772 -1.533) 5.539 10.808 ( -1.212 0.387 0.611) 1.411 10.841 ( 1.103 -1.030 0.668) 1.650 10.943 ( 0.340 -0.049 -1.590) 1.627 10.959 ( -1.114 -0.937 -2.948) 3.288 ======================= Grid point 84 (47/64) ======================= q-point: (-0.20 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( -5.810 8.620 2.441) 10.678 0.881 ( -8.671 6.992 1.029) 11.186 0.917 ( 0.439 -0.707 1.181) 1.444 0.983 ( 0.348 1.739 -0.872) 1.976 1.029 ( 0.035 5.009 -2.609) 5.648 1.085 ( -1.413 -1.305 -2.196) 2.919 1.103 ( -0.678 1.298 -1.533) 2.120 1.184 ( 0.132 2.179 -1.785) 2.820 1.204 ( -1.862 -0.764 -1.243) 2.366 1.230 ( 2.305 2.402 2.867) 4.393 1.316 ( 0.023 -0.101 -0.918) 0.924 1.341 ( -0.782 -4.014 2.685) 4.892 1.376 ( -2.694 -2.863 -1.743) 4.301 1.402 ( -1.355 0.145 2.003) 2.422 1.437 ( -2.959 -2.450 -4.005) 5.549 1.455 ( -0.775 -2.067 -2.293) 3.183 1.503 ( 0.258 -0.463 -0.153) 0.552 1.562 ( -2.316 -0.478 -0.544) 2.427 1.633 ( 0.395 -0.461 0.002) 0.607 1.654 ( 0.324 -0.963 -1.305) 1.654 1.710 ( 2.167 3.208 1.951) 4.335 1.743 ( -0.996 2.187 0.419) 2.439 1.801 ( -0.437 0.962 1.242) 1.631 1.825 ( -0.015 -1.388 0.062) 1.389 1.857 ( 0.772 1.299 -0.418) 1.567 1.875 ( 0.235 0.134 -0.806) 0.850 1.906 ( -1.014 1.197 0.033) 1.570 1.969 ( -1.010 0.317 0.442) 1.147 2.034 ( 0.449 -2.238 1.375) 2.665 2.166 ( 0.641 1.886 1.752) 2.653 2.204 ( 0.943 0.565 1.743) 2.061 2.256 ( 2.444 -2.374 2.520) 4.238 2.331 ( 0.722 2.790 -1.021) 3.057 2.383 ( 1.084 0.816 -2.579) 2.914 2.509 ( 0.939 0.385 3.208) 3.364 2.560 ( 0.092 -3.499 -0.714) 3.572 2.597 ( 0.523 -2.340 -1.899) 3.059 2.679 ( 2.669 -3.240 -0.384) 4.215 2.882 ( -1.321 -0.535 1.996) 2.452 2.900 ( -0.402 0.285 0.365) 0.613 2.957 ( 0.583 2.568 0.111) 2.636 3.049 ( 2.017 2.854 -1.377) 3.756 3.072 ( -2.629 -4.211 0.178) 4.967 3.212 ( -0.661 -3.469 -0.950) 3.657 3.485 ( -0.808 0.837 1.456) 1.864 3.522 ( -0.579 -0.728 2.119) 2.315 3.573 ( 0.623 -0.556 -0.718) 1.101 3.579 ( 0.729 -0.801 -2.416) 2.648 4.410 ( 1.210 1.592 1.070) 2.267 4.450 ( 0.851 -0.441 0.659) 1.163 4.526 ( -0.528 0.823 0.816) 1.274 4.591 ( 1.261 -1.895 -2.442) 3.338 5.879 ( -0.265 0.164 -0.103) 0.328 5.895 ( 0.030 -0.707 -1.328) 1.505 6.068 ( -0.351 -1.383 1.121) 1.814 6.090 ( 0.173 -2.289 -0.416) 2.333 6.554 ( -0.736 10.031 2.574) 10.383 6.649 ( 0.546 10.232 -2.074) 10.454 6.984 ( -0.357 -8.975 1.318) 9.078 7.043 ( 0.316 -7.082 -1.774) 7.308 7.300 ( -1.075 1.372 1.771) 2.485 7.379 ( 0.533 -0.760 -0.844) 1.255 7.397 ( -0.011 0.117 -1.269) 1.275 7.418 ( 0.746 -0.088 -1.284) 1.488 8.103 ( -0.631 3.446 1.769) 3.924 8.197 ( 0.773 4.083 -2.200) 4.702 8.311 ( -0.444 -5.050 1.895) 5.412 8.391 ( 0.499 -3.829 -1.922) 4.313 8.750 ( 0.176 -0.175 -1.350) 1.373 8.760 ( 0.439 -0.655 -1.339) 1.554 8.963 ( -0.427 2.314 1.708) 2.908 9.035 ( 0.622 -0.350 -1.045) 1.265 9.062 ( -0.566 -0.820 1.779) 2.039 9.130 ( 0.379 -3.681 -0.562) 3.743 9.205 ( -0.263 -0.178 0.680) 0.751 9.243 ( 0.353 -0.986 -1.397) 1.746 9.666 ( -1.557 0.683 0.832) 1.893 9.685 ( -1.979 -0.063 0.393) 2.019 9.973 ( 2.269 6.219 0.959) 6.689 10.093 ( 5.402 1.807 -3.399) 6.633 10.796 ( 0.081 1.716 0.180) 1.728 10.866 ( 0.794 -1.290 0.646) 1.647 10.899 ( -2.832 0.662 -2.222) 3.660 10.931 ( -0.461 -0.993 -1.302) 1.701 ======================= Grid point 85 (48/64) ======================= q-point: ( 0.00 -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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( 0.497 -8.708 -0.199) 8.724 0.789 ( 0.497 8.708 -0.199) 8.724 0.966 ( -1.830 -5.420 -1.043) 5.815 0.966 ( -1.830 5.420 -1.043) 5.815 1.039 ( -1.202 -4.181 -2.941) 5.251 1.039 ( -1.202 4.181 -2.941) 5.251 1.081 ( -1.931 -3.158 -0.478) 3.732 1.081 ( -1.931 3.158 -0.478) 3.732 1.172 ( -0.403 -3.419 -3.941) 5.233 1.172 ( -0.403 3.419 -3.941) 5.233 1.294 ( -0.549 -2.527 -1.308) 2.898 1.294 ( -0.549 2.527 -1.308) 2.898 1.351 ( 0.511 -0.633 1.563) 1.762 1.351 ( 0.511 0.633 1.563) 1.762 1.412 ( -0.185 -1.568 -1.416) 2.121 1.412 ( -0.185 1.568 -1.416) 2.121 1.532 ( 0.187 -0.582 1.482) 1.603 1.532 ( 0.187 0.582 1.482) 1.603 1.648 ( 0.718 -0.598 -0.787) 1.221 1.648 ( 0.718 0.598 -0.787) 1.221 1.760 ( -1.677 -1.424 0.029) 2.200 1.760 ( -1.677 1.424 0.029) 2.200 1.796 ( 0.555 -2.014 -1.233) 2.426 1.796 ( 0.555 2.014 -1.233) 2.426 1.853 ( -0.664 -1.459 0.196) 1.615 1.853 ( -0.664 1.459 0.196) 1.615 1.951 ( 0.364 -1.304 0.850) 1.599 1.951 ( 0.364 1.304 0.850) 1.599 2.168 ( 2.991 -3.769 5.387) 7.223 2.168 ( 2.991 3.769 5.387) 7.223 2.279 ( 1.058 -1.564 1.280) 2.282 2.279 ( 1.058 1.564 1.280) 2.282 2.402 ( 1.607 -0.220 -2.736) 3.181 2.402 ( 1.607 0.220 -2.736) 3.181 2.511 ( 0.175 -2.775 2.964) 4.064 2.511 ( 0.175 2.775 2.964) 4.064 2.628 ( 0.000 -3.705 -1.679) 4.067 2.628 ( 0.000 3.705 -1.679) 4.067 2.878 ( -0.839 -0.998 1.079) 1.692 2.878 ( -0.839 0.998 1.079) 1.692 3.011 ( 0.634 -1.935 1.397) 2.469 3.011 ( 0.634 1.935 1.397) 2.469 3.103 ( -1.905 -3.272 -2.238) 4.398 3.103 ( -1.905 3.272 -2.238) 4.398 3.491 ( -1.419 -1.168 1.043) 2.113 3.491 ( -1.419 1.168 1.043) 2.113 3.577 ( 1.502 -0.771 -1.489) 2.251 3.577 ( 1.502 0.771 -1.489) 2.251 4.456 ( -0.357 -0.522 1.403) 1.540 4.456 ( -0.357 0.522 1.403) 1.540 4.556 ( 0.622 -2.338 -1.278) 2.736 4.556 ( 0.622 2.338 -1.278) 2.736 5.882 ( 0.074 -0.609 -0.441) 0.755 5.882 ( 0.074 0.609 -0.441) 0.755 6.057 ( -0.038 -0.749 -0.048) 0.751 6.057 ( -0.038 0.749 -0.048) 0.751 6.761 ( -0.869 -9.066 1.239) 9.191 6.761 ( -0.869 9.066 1.239) 9.191 6.870 ( 0.677 -8.144 -1.607) 8.329 6.870 ( 0.677 8.144 -1.607) 8.329 7.344 ( -0.125 -2.724 0.856) 2.858 7.344 ( -0.125 2.724 0.856) 2.858 7.406 ( 0.469 -1.102 -1.597) 1.996 7.406 ( 0.469 1.102 -1.597) 1.996 8.184 ( -0.502 -4.058 1.430) 4.332 8.184 ( -0.502 4.058 1.430) 4.332 8.311 ( 0.582 -3.501 -1.657) 3.917 8.311 ( 0.582 3.501 -1.657) 3.917 8.749 ( 0.308 -0.421 -1.238) 1.343 8.749 ( 0.308 0.421 -1.238) 1.343 8.999 ( -0.404 -2.013 0.642) 2.151 8.999 ( -0.404 2.013 0.642) 2.151 9.085 ( 0.282 -1.629 -0.453) 1.714 9.085 ( 0.282 1.629 -0.453) 1.714 9.214 ( -0.140 -1.317 -0.397) 1.383 9.214 ( -0.140 1.317 -0.397) 1.383 9.663 ( 0.095 -0.091 0.756) 0.768 9.663 ( 0.095 0.091 0.756) 0.768 10.105 ( 0.077 -3.332 -1.370) 3.603 10.105 ( 0.077 3.332 -1.370) 3.603 10.859 ( -0.159 -0.875 -0.152) 0.903 10.859 ( -0.159 0.875 -0.152) 0.903 10.878 ( 0.621 -2.296 -0.818) 2.515 10.878 ( 0.621 2.296 -0.818) 2.515 ======================= Grid point 87 (49/64) ======================= q-point: ( 0.20 -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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( 3.675 -5.874 -0.275) 6.934 0.831 ( 3.675 5.874 -0.275) 6.934 0.938 ( -0.644 -2.037 0.245) 2.150 0.938 ( -0.644 2.037 0.245) 2.150 1.028 ( 0.811 -0.617 -1.921) 2.174 1.028 ( 0.811 0.617 -1.921) 2.174 1.084 ( 2.670 -5.436 2.319) 6.485 1.084 ( 2.670 5.436 2.319) 6.485 1.187 ( 3.033 -4.486 -1.239) 5.555 1.187 ( 3.033 4.486 -1.239) 5.555 1.292 ( -0.885 -2.192 0.153) 2.369 1.292 ( -0.885 2.192 0.153) 2.369 1.357 ( 0.374 -1.102 1.546) 1.935 1.357 ( 0.374 1.102 1.546) 1.935 1.393 ( -0.147 -2.187 -1.970) 2.947 1.393 ( -0.147 2.187 -1.970) 2.947 1.558 ( 1.126 -0.364 0.881) 1.475 1.558 ( 1.126 0.364 0.881) 1.475 1.643 ( -0.811 -1.566 -1.097) 2.077 1.643 ( -0.811 1.566 -1.097) 2.077 1.735 ( -1.038 -0.930 1.228) 1.858 1.735 ( -1.038 0.930 1.228) 1.858 1.781 ( -0.600 -0.580 -0.776) 1.139 1.781 ( -0.600 0.580 -0.776) 1.139 1.855 ( 0.190 -1.555 0.217) 1.581 1.855 ( 0.190 1.555 0.217) 1.581 1.972 ( 1.066 -0.955 0.468) 1.506 1.972 ( 1.066 0.955 0.468) 1.506 2.240 ( 1.668 -1.425 0.921) 2.380 2.240 ( 1.668 1.425 0.921) 2.380 2.287 ( -0.478 -2.247 -0.832) 2.443 2.287 ( -0.478 2.247 -0.832) 2.443 2.403 ( 0.346 -1.919 -3.288) 3.823 2.403 ( 0.346 1.919 -3.288) 3.823 2.539 ( 0.167 -5.092 2.566) 5.704 2.539 ( 0.167 5.092 2.566) 5.704 2.596 ( -1.237 -2.252 -2.340) 3.475 2.596 ( -1.237 2.252 -2.340) 3.475 2.875 ( -0.278 -1.274 1.877) 2.286 2.875 ( -0.278 1.274 1.877) 2.286 3.014 ( -1.362 -3.083 0.606) 3.424 3.014 ( -1.362 3.083 0.606) 3.424 3.071 ( 0.119 -4.316 0.168) 4.321 3.071 ( 0.119 4.316 0.168) 4.321 3.463 ( -1.534 -0.912 1.241) 2.174 3.463 ( -1.534 0.912 1.241) 2.174 3.603 ( 1.660 -1.052 -1.692) 2.593 3.603 ( 1.660 1.052 -1.692) 2.593 4.439 ( -1.749 -0.410 0.978) 2.046 4.439 ( -1.749 0.410 0.978) 2.046 4.559 ( 0.359 -2.353 -1.224) 2.677 4.559 ( 0.359 2.353 -1.224) 2.677 5.882 ( 0.215 -0.950 -0.347) 1.034 5.882 ( 0.215 0.950 -0.347) 1.034 6.058 ( 0.168 -0.911 -0.049) 0.928 6.058 ( 0.168 0.911 -0.049) 0.928 6.753 ( -0.642 -8.994 1.656) 9.167 6.753 ( -0.642 8.994 1.656) 9.167 6.875 ( 0.665 -8.224 -1.724) 8.429 6.875 ( 0.665 8.224 -1.724) 8.429 7.346 ( -0.164 -2.457 0.660) 2.549 7.346 ( -0.164 2.457 0.660) 2.549 7.409 ( 0.673 -1.154 -1.525) 2.027 7.409 ( 0.673 1.154 -1.525) 2.027 8.186 ( -0.199 -3.761 1.544) 4.070 8.186 ( -0.199 3.761 1.544) 4.070 8.308 ( 0.174 -3.260 -1.774) 3.715 8.308 ( 0.174 3.260 -1.774) 3.715 8.749 ( 0.409 -0.686 -1.197) 1.439 8.749 ( 0.409 0.686 -1.197) 1.439 8.996 ( -0.302 -1.845 0.843) 2.051 8.996 ( -0.302 1.845 0.843) 2.051 9.085 ( 0.064 -1.882 -0.620) 1.982 9.085 ( 0.064 1.882 -0.620) 1.982 9.210 ( -0.029 -1.433 -0.101) 1.437 9.210 ( -0.029 1.433 -0.101) 1.437 9.689 ( 1.940 -0.778 0.476) 2.144 9.689 ( 1.940 0.778 0.476) 2.144 10.064 ( -3.122 -1.967 -0.944) 3.809 10.064 ( -3.122 1.967 -0.944) 3.809 10.833 ( -1.083 -1.567 0.082) 1.907 10.833 ( -1.083 1.567 0.082) 1.907 10.919 ( 2.481 -1.673 -1.233) 3.236 10.919 ( 2.481 1.673 -1.233) 3.236 ======================= Grid point 89 (50/64) ======================= q-point: (-0.60 -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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( 0.919 -3.362 1.508) 3.797 0.903 ( 0.919 3.362 1.508) 3.797 0.945 ( 2.616 -0.679 -1.918) 3.314 0.945 ( 2.616 0.679 -1.918) 3.314 1.053 ( 2.550 -1.882 1.407) 3.468 1.053 ( 2.550 1.882 1.407) 3.468 1.163 ( 2.502 -3.829 1.702) 4.881 1.163 ( 2.502 3.829 1.702) 4.881 1.224 ( -3.332 -2.324 0.748) 4.130 1.224 ( -3.332 2.324 0.748) 4.130 1.272 ( 1.563 -2.540 0.046) 2.983 1.272 ( 1.563 2.540 0.046) 2.983 1.399 ( 3.450 -2.933 1.705) 4.839 1.399 ( 3.450 2.933 1.705) 4.839 1.416 ( 2.659 -1.688 0.064) 3.150 1.416 ( 2.659 1.688 0.064) 3.150 1.566 ( -1.417 -1.962 1.220) 2.710 1.566 ( -1.417 1.962 1.220) 2.710 1.619 ( -0.087 -2.471 -1.277) 2.783 1.619 ( -0.087 2.471 -1.277) 2.783 1.728 ( -0.302 -1.395 0.799) 1.636 1.728 ( -0.302 1.395 0.799) 1.636 1.782 ( 0.382 -1.623 0.787) 1.844 1.782 ( 0.382 1.623 0.787) 1.844 1.857 ( 0.095 -1.701 0.130) 1.709 1.857 ( 0.095 1.701 0.130) 1.709 1.991 ( 0.384 -0.700 0.314) 0.858 1.991 ( 0.384 0.700 0.314) 0.858 2.220 ( -3.682 -2.502 -2.087) 4.917 2.220 ( -3.682 2.502 -2.087) 4.917 2.251 ( -1.347 -3.558 -3.838) 5.404 2.251 ( -1.347 3.558 -3.838) 5.404 2.384 ( 0.165 -1.176 -3.976) 4.149 2.384 ( 0.165 1.176 -3.976) 4.149 2.530 ( -1.068 -2.370 1.095) 2.821 2.530 ( -1.068 2.370 1.095) 2.821 2.577 ( -0.033 -1.853 -1.424) 2.337 2.577 ( -0.033 1.853 -1.424) 2.337 2.885 ( -0.196 -0.851 2.527) 2.673 2.885 ( -0.196 0.851 2.527) 2.673 3.009 ( 0.574 -3.830 1.696) 4.228 3.009 ( 0.574 3.830 1.696) 4.228 3.073 ( -0.202 -5.512 -0.179) 5.519 3.073 ( -0.202 5.512 -0.179) 5.519 3.462 ( 0.416 -1.261 2.490) 2.822 3.462 ( 0.416 1.261 2.490) 2.822 3.612 ( 0.233 -0.814 -2.405) 2.550 3.612 ( 0.233 0.814 -2.405) 2.550 4.412 ( -1.102 -0.527 0.609) 1.365 4.412 ( -1.102 0.527 0.609) 1.365 4.555 ( 0.039 -1.889 -1.062) 2.168 4.555 ( 0.039 1.889 -1.062) 2.168 5.885 ( 0.257 -0.930 -0.346) 1.025 5.885 ( 0.257 0.930 -0.346) 1.025 6.061 ( 0.136 -0.860 -0.067) 0.874 6.061 ( 0.136 0.860 -0.067) 0.874 6.756 ( -0.246 -9.542 2.129) 9.780 6.756 ( -0.246 9.542 2.129) 9.780 6.875 ( 0.494 -8.874 -1.949) 9.099 6.875 ( 0.494 8.874 -1.949) 9.099 7.345 ( -0.332 -1.825 0.743) 1.998 7.345 ( -0.332 1.825 0.743) 1.998 7.413 ( 0.619 -0.811 -1.663) 1.951 7.413 ( 0.619 0.811 -1.663) 1.951 8.193 ( -0.238 -4.312 1.815) 4.684 8.193 ( -0.238 4.312 1.815) 4.684 8.300 ( 0.280 -4.026 -2.080) 4.540 8.300 ( 0.280 4.026 -2.080) 4.540 8.750 ( 0.429 -0.888 -1.127) 1.498 8.750 ( 0.429 0.888 -1.127) 1.498 8.997 ( -0.142 -1.736 0.975) 1.996 8.997 ( -0.142 1.736 0.975) 1.996 9.081 ( -0.021 -2.051 -0.766) 2.189 9.081 ( -0.021 2.051 -0.766) 2.189 9.212 ( 0.200 -1.452 0.131) 1.471 9.212 ( 0.200 1.452 0.131) 1.471 9.733 ( 1.560 -1.372 0.135) 2.081 9.733 ( 1.560 1.372 0.135) 2.081 9.995 ( -2.291 -1.078 -0.464) 2.574 9.995 ( -2.291 1.078 -0.464) 2.574 10.821 ( -0.317 -0.672 0.416) 0.852 10.821 ( -0.317 0.672 0.416) 0.852 10.948 ( 1.212 -1.072 -1.707) 2.352 10.948 ( 1.212 1.072 -1.707) 2.352 ======================= Grid point 91 (51/64) ======================= q-point: (-0.40 -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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( -3.077 -3.419 0.887) 4.684 0.879 ( -3.077 3.419 0.887) 4.684 0.988 ( 1.910 -0.179 -1.861) 2.673 0.988 ( 1.910 0.179 -1.861) 2.673 1.111 ( -0.436 -0.957 -0.719) 1.274 1.111 ( -0.436 0.957 -0.719) 1.274 1.174 ( 1.124 -1.584 1.412) 2.401 1.174 ( 1.124 1.584 1.412) 2.401 1.222 ( 1.106 -3.685 2.595) 4.641 1.222 ( 1.106 3.685 2.595) 4.641 1.269 ( 0.388 -2.410 -1.868) 3.074 1.269 ( 0.388 2.410 -1.868) 3.074 1.423 ( -1.609 -0.998 1.179) 2.230 1.423 ( -1.609 0.998 1.179) 2.230 1.478 ( -0.857 -0.767 -1.360) 1.781 1.478 ( -0.857 0.767 -1.360) 1.781 1.538 ( -0.717 -3.792 1.468) 4.129 1.538 ( -0.717 3.792 1.468) 4.129 1.628 ( 1.231 -1.746 -1.172) 2.437 1.628 ( 1.231 1.746 -1.172) 2.437 1.744 ( 1.426 -1.286 0.503) 1.985 1.744 ( 1.426 1.286 0.503) 1.985 1.785 ( 0.169 -0.575 0.369) 0.704 1.785 ( 0.169 0.575 0.369) 0.704 1.870 ( 0.611 -1.095 0.837) 1.507 1.870 ( 0.611 1.095 0.837) 1.507 1.990 ( -0.652 -1.144 0.186) 1.330 1.990 ( -0.652 1.144 0.186) 1.330 2.096 ( -5.854 -6.285 0.248) 8.592 2.096 ( -5.854 6.285 0.248) 8.592 2.218 ( 0.293 -2.227 -1.824) 2.894 2.218 ( 0.293 2.227 -1.824) 2.894 2.370 ( 0.930 -1.699 -3.717) 4.191 2.370 ( 0.930 1.699 -3.717) 4.191 2.523 ( -0.780 -2.334 0.950) 2.638 2.523 ( -0.780 2.334 0.950) 2.638 2.576 ( 1.179 -1.617 -0.979) 2.228 2.576 ( 1.179 1.617 -0.979) 2.228 2.894 ( -0.438 -0.878 2.156) 2.368 2.894 ( -0.438 0.878 2.156) 2.368 3.021 ( -0.918 -4.376 0.742) 4.532 3.021 ( -0.918 4.376 0.742) 4.532 3.090 ( 2.421 -5.351 -0.433) 5.890 3.090 ( 2.421 5.351 -0.433) 5.890 3.496 ( 0.698 -1.003 2.881) 3.129 3.496 ( 0.698 1.003 2.881) 3.129 3.587 ( -0.740 -0.869 -2.946) 3.160 3.587 ( -0.740 0.869 -2.946) 3.160 4.410 ( 0.586 -0.902 0.705) 1.287 4.410 ( 0.586 0.902 0.705) 1.287 4.552 ( 0.213 -1.557 -0.930) 1.826 4.552 ( 0.213 1.557 -0.930) 1.826 5.887 ( 0.092 -0.618 -0.457) 0.774 5.887 ( 0.092 0.619 -0.457) 0.774 6.062 ( -0.036 -0.686 -0.057) 0.690 6.062 ( -0.036 0.686 -0.057) 0.690 6.765 ( -0.197 -10.002 2.059) 10.214 6.765 ( -0.197 10.002 2.059) 10.214 6.872 ( 0.380 -9.242 -2.026) 9.470 6.872 ( 0.380 9.242 -2.026) 9.470 7.343 ( -0.404 -1.756 0.970) 2.047 7.343 ( -0.404 1.756 0.970) 2.047 7.413 ( 0.398 -0.277 -1.780) 1.844 7.413 ( 0.398 0.277 -1.780) 1.844 8.195 ( -0.663 -4.806 1.824) 5.183 8.195 ( -0.663 4.806 1.824) 5.183 8.298 ( 0.814 -4.601 -2.140) 5.139 8.298 ( 0.814 4.601 -2.140) 5.139 8.752 ( 0.346 -0.601 -1.130) 1.326 8.752 ( 0.346 0.601 -1.130) 1.326 9.001 ( -0.093 -1.697 0.882) 1.915 9.001 ( -0.093 1.697 0.882) 1.915 9.077 ( 0.175 -1.887 -0.671) 2.010 9.077 ( 0.175 1.887 -0.671) 2.010 9.217 ( 0.204 -1.339 -0.028) 1.355 9.217 ( 0.204 1.339 -0.028) 1.355 9.726 ( -2.196 -0.976 0.210) 2.412 9.726 ( -2.196 0.976 0.210) 2.412 10.001 ( 3.074 -1.967 -0.537) 3.689 10.001 ( 3.074 1.967 -0.537) 3.689 10.822 ( 0.098 -0.853 0.433) 0.962 10.822 ( 0.098 0.853 0.433) 0.962 10.946 ( -0.453 -0.349 -1.690) 1.785 10.946 ( -0.453 0.349 -1.690) 1.785 ======================= Grid point 93 (52/64) ======================= q-point: (-0.20 -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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( -2.888 -7.371 0.357) 7.925 0.815 ( -2.888 7.371 0.357) 7.925 0.998 ( 0.010 -2.302 -1.626) 2.819 0.998 ( 0.010 2.302 -1.626) 2.819 1.079 ( -0.983 -1.587 -2.174) 2.866 1.079 ( -0.983 1.587 -2.174) 2.866 1.144 ( -3.229 -5.445 -0.979) 6.406 1.144 ( -3.229 5.445 -0.979) 6.406 1.251 ( -2.704 -1.416 -2.399) 3.882 1.251 ( -2.704 1.416 -2.399) 3.882 1.295 ( 2.512 -1.798 1.977) 3.668 1.295 ( 2.512 1.798 1.977) 3.668 1.352 ( -2.827 -3.235 -3.090) 5.292 1.352 ( -2.827 3.235 -3.090) 5.292 1.425 ( -1.142 -0.870 -1.711) 2.234 1.425 ( -1.142 0.870 -1.711) 2.234 1.535 ( -1.025 -2.526 2.038) 3.404 1.535 ( -1.025 2.526 2.038) 3.404 1.636 ( 0.602 -0.763 -0.724) 1.212 1.636 ( 0.602 0.763 -0.724) 1.212 1.770 ( 1.642 -2.967 -0.522) 3.431 1.770 ( 1.642 2.967 -0.522) 3.431 1.792 ( -0.733 -2.146 -0.297) 2.287 1.792 ( -0.733 2.146 -0.297) 2.287 1.877 ( -0.407 -0.858 -1.237) 1.560 1.877 ( -0.407 0.858 -1.237) 1.560 1.957 ( -1.887 -2.377 1.290) 3.298 1.957 ( -1.887 2.377 1.290) 3.298 2.077 ( 1.589 -6.817 6.261) 9.391 2.077 ( 1.589 6.817 6.261) 9.391 2.240 ( 1.636 -1.028 1.191) 2.269 2.240 ( 1.636 1.028 1.191) 2.270 2.380 ( 1.860 -1.765 -2.830) 3.818 2.380 ( 1.860 1.765 -2.830) 3.818 2.508 ( -1.125 -1.574 1.710) 2.582 2.508 ( -1.125 1.574 1.710) 2.582 2.610 ( 2.076 -3.108 -0.657) 3.795 2.610 ( 2.076 3.108 -0.657) 3.795 2.891 ( -0.897 -1.004 1.285) 1.861 2.891 ( -0.897 1.004 1.285) 1.861 3.003 ( -0.595 -2.495 0.353) 2.589 3.003 ( -0.595 2.495 0.353) 2.589 3.128 ( 1.020 -4.456 -1.381) 4.775 3.128 ( 1.020 4.456 -1.381) 4.775 3.506 ( -0.837 -0.999 1.296) 1.838 3.506 ( -0.837 0.999 1.296) 1.838 3.567 ( 0.400 -0.231 -1.703) 1.765 3.567 ( 0.400 0.231 -1.703) 1.765 4.437 ( 1.191 -0.951 1.127) 1.896 4.437 ( 1.191 0.951 1.127) 1.896 4.552 ( 0.398 -1.717 -1.001) 2.027 4.552 ( 0.398 1.717 -1.001) 2.027 5.884 ( -0.013 -0.412 -0.515) 0.660 5.884 ( -0.013 0.412 -0.515) 0.660 6.060 ( -0.150 -0.597 -0.046) 0.617 6.060 ( -0.150 0.597 -0.046) 0.617 6.768 ( -0.590 -9.751 1.496) 9.882 6.768 ( -0.590 9.751 1.496) 9.882 6.869 ( 0.488 -8.832 -1.814) 9.030 6.869 ( 0.488 8.832 -1.814) 9.030 7.342 ( -0.253 -2.359 1.080) 2.607 7.342 ( -0.253 2.359 1.080) 2.607 7.409 ( 0.309 -0.677 -1.759) 1.910 7.409 ( 0.309 0.677 -1.759) 1.910 8.189 ( -0.818 -4.688 1.549) 5.005 8.189 ( -0.818 4.688 1.549) 5.005 8.305 ( 0.967 -4.324 -1.851) 4.802 8.305 ( 0.967 4.324 -1.851) 4.802 8.751 ( 0.258 -0.259 -1.210) 1.264 8.751 ( 0.258 0.259 -1.210) 1.264 9.002 ( -0.252 -1.888 0.681) 2.022 9.002 ( -0.252 1.888 0.681) 2.022 9.080 ( 0.381 -1.609 -0.460) 1.717 9.080 ( 0.381 1.609 -0.460) 1.717 9.218 ( -0.008 -1.246 -0.365) 1.298 9.218 ( -0.008 1.246 -0.365) 1.298 9.679 ( -2.038 -0.510 0.604) 2.186 9.679 ( -2.038 0.510 0.604) 2.186 10.073 ( 3.566 -3.313 -1.105) 4.991 10.073 ( 3.566 3.313 -1.105) 4.991 10.833 ( 1.009 -1.832 0.170) 2.099 10.833 ( 1.009 1.832 0.170) 2.099 10.913 ( -1.709 -0.765 -1.232) 2.241 10.913 ( -1.709 0.765 -1.232) 2.241 ======================= Grid point 105 (53/64) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( 3.896 0.000 -9.328) 10.109 0.700 ( -3.896 0.000 9.328) 10.109 0.879 ( -0.604 0.000 -6.274) 6.303 0.879 ( 0.604 0.000 6.274) 6.303 0.987 ( -0.867 0.000 -3.575) 3.679 0.987 ( 0.867 0.000 3.575) 3.679 1.150 ( 2.232 0.000 -0.747) 2.354 1.150 ( -2.232 0.000 0.747) 2.354 1.230 ( -3.781 0.000 -1.699) 4.146 1.230 ( 3.781 0.000 1.699) 4.146 1.347 ( -3.304 0.000 -6.750) 7.515 1.347 ( 3.304 0.000 6.750) 7.515 1.428 ( -0.752 0.000 -2.432) 2.546 1.428 ( 0.752 0.000 2.432) 2.546 1.496 ( -0.259 0.000 -1.590) 1.611 1.496 ( 0.259 0.000 1.590) 1.611 1.529 ( -1.122 0.000 0.212) 1.142 1.529 ( 1.122 0.000 -0.212) 1.142 1.664 ( 0.942 0.000 -1.612) 1.867 1.664 ( -0.942 0.000 1.612) 1.867 1.681 ( 2.326 0.000 -3.500) 4.202 1.681 ( -2.326 0.000 3.500) 4.202 1.810 ( -1.370 0.000 -1.519) 2.046 1.810 ( 1.370 0.000 1.519) 2.046 1.866 ( 0.358 0.000 -1.773) 1.808 1.866 ( -0.358 0.000 1.773) 1.808 1.895 ( -2.454 0.000 -4.748) 5.345 1.895 ( 2.454 0.000 4.748) 5.345 2.075 ( -0.388 0.000 -1.959) 1.997 2.075 ( 0.388 0.000 1.959) 1.997 2.158 ( 0.505 0.000 -1.613) 1.690 2.158 ( -0.505 0.000 1.613) 1.690 2.343 ( 1.645 0.000 -4.074) 4.394 2.343 ( -1.645 0.000 4.074) 4.394 2.670 ( -0.782 0.000 -4.882) 4.945 2.670 ( 0.782 0.000 4.882) 4.945 2.702 ( -1.640 0.000 -2.385) 2.895 2.702 ( 1.640 0.000 2.385) 2.895 2.893 ( -0.345 0.000 -2.006) 2.036 2.893 ( 0.345 0.000 2.006) 2.036 2.917 ( -1.001 0.000 -1.148) 1.523 2.917 ( 1.001 0.000 1.148) 1.523 3.202 ( -1.755 0.000 -0.264) 1.775 3.202 ( 1.755 0.000 0.264) 1.775 3.521 ( 1.840 0.000 -2.629) 3.209 3.521 ( -1.840 0.000 2.629) 3.209 3.623 ( 1.097 0.000 -2.133) 2.398 3.623 ( -1.097 0.000 2.133) 2.398 4.420 ( -0.926 0.000 -1.571) 1.823 4.420 ( 0.926 0.000 1.571) 1.823 4.574 ( 1.753 0.000 -3.991) 4.359 4.574 ( -1.753 0.000 3.991) 4.359 5.870 ( 0.462 0.000 -1.245) 1.328 5.870 ( -0.462 0.000 1.245) 1.328 6.184 ( 0.748 0.000 -1.386) 1.575 6.184 ( -0.748 0.000 1.386) 1.575 6.367 ( 0.196 0.000 -0.449) 0.490 6.367 ( -0.196 0.000 0.449) 0.490 7.161 ( -0.094 0.000 -0.899) 0.904 7.161 ( 0.094 0.000 0.899) 0.904 7.325 ( 0.874 0.000 -2.203) 2.370 7.325 ( -0.874 0.000 2.203) 2.370 7.402 ( 0.396 0.000 -0.929) 1.010 7.402 ( -0.396 0.000 0.929) 1.010 8.072 ( -0.123 0.000 -0.915) 0.923 8.072 ( 0.123 0.000 0.915) 0.923 8.463 ( -0.126 0.000 -0.326) 0.350 8.463 ( 0.126 0.000 0.326) 0.350 8.723 ( -1.139 0.000 0.024) 1.140 8.723 ( 1.139 0.000 -0.024) 1.140 8.939 ( 0.895 0.000 -2.823) 2.962 8.939 ( -0.895 0.000 2.823) 2.962 9.212 ( 0.598 0.000 -1.437) 1.556 9.212 ( -0.598 0.000 1.437) 1.556 9.370 ( -1.036 0.000 0.009) 1.036 9.370 ( 1.036 0.000 -0.009) 1.036 9.658 ( 0.493 0.000 -0.267) 0.561 9.658 ( -0.493 0.000 0.267) 0.561 9.834 ( 0.278 0.000 -0.635) 0.693 9.834 ( -0.278 0.000 0.635) 0.693 10.754 ( -0.017 0.000 -0.495) 0.495 10.754 ( 0.017 0.000 0.495) 0.495 10.933 ( 1.745 0.000 -2.312) 2.897 10.933 ( -1.745 0.000 2.312) 2.897 ======================= Grid point 107 (54/64) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( 2.573 0.000 7.710) 8.128 0.776 ( 7.126 0.000 -8.246) 10.898 0.839 ( 1.562 0.000 -9.248) 9.379 0.912 ( -0.121 0.000 0.341) 0.362 0.947 ( -0.110 0.000 -2.489) 2.491 1.002 ( -1.500 0.000 1.970) 2.476 1.120 ( -0.796 0.000 0.829) 1.150 1.122 ( -3.290 0.000 1.229) 3.512 1.227 ( 3.007 0.000 0.512) 3.050 1.242 ( 1.331 0.000 -7.537) 7.654 1.335 ( 2.228 0.000 0.396) 2.263 1.382 ( -2.141 0.000 0.897) 2.321 1.396 ( -1.227 0.000 -1.087) 1.640 1.470 ( -0.798 0.000 -0.906) 1.207 1.486 ( 2.465 0.000 -1.136) 2.714 1.489 ( -1.664 0.000 1.299) 2.111 1.558 ( 3.365 0.000 1.521) 3.693 1.575 ( 2.480 0.000 -1.655) 2.982 1.617 ( -1.860 0.000 1.799) 2.588 1.631 ( -0.150 0.000 2.363) 2.367 1.722 ( -1.068 0.000 -1.598) 1.922 1.758 ( 3.226 0.000 -1.503) 3.559 1.766 ( 0.993 0.000 -2.697) 2.874 1.813 ( -1.551 0.000 -1.726) 2.321 1.817 ( -1.015 0.000 0.660) 1.211 1.881 ( -0.283 0.000 1.602) 1.627 1.884 ( 2.189 0.000 1.482) 2.643 1.927 ( 0.108 0.000 1.630) 1.634 2.114 ( 1.622 0.000 2.589) 3.056 2.114 ( 0.659 0.000 3.111) 3.180 2.158 ( 0.722 0.000 -0.152) 0.738 2.160 ( 0.140 0.000 1.074) 1.083 2.312 ( -3.155 0.000 3.936) 5.044 2.319 ( -1.394 0.000 -3.134) 3.430 2.611 ( -1.974 0.000 -6.086) 6.398 2.650 ( -0.978 0.000 -1.239) 1.578 2.697 ( -1.619 0.000 4.307) 4.601 2.718 ( -0.733 0.000 1.558) 1.722 2.827 ( -2.580 0.000 -2.604) 3.665 2.856 ( -3.208 0.000 1.011) 3.363 2.947 ( 2.043 0.000 0.129) 2.047 2.991 ( 2.400 0.000 2.061) 3.163 3.191 ( 1.398 0.000 0.557) 1.505 3.252 ( 3.163 0.000 -0.236) 3.172 3.516 ( -0.854 0.000 4.098) 4.187 3.548 ( 1.748 0.000 -2.677) 3.197 3.595 ( -2.116 0.000 0.242) 2.129 3.611 ( -0.530 0.000 -3.348) 3.389 4.395 ( -0.286 0.000 -1.604) 1.629 4.436 ( -0.542 0.000 1.531) 1.624 4.562 ( -1.525 0.000 3.736) 4.036 4.578 ( 0.861 0.000 -3.626) 3.727 5.880 ( 0.460 0.000 1.691) 1.753 5.882 ( 1.249 0.000 -0.960) 1.575 6.168 ( -1.595 0.000 1.690) 2.323 6.177 ( -0.575 0.000 -1.366) 1.482 6.366 ( -0.254 0.000 0.678) 0.724 6.367 ( 0.177 0.000 -0.706) 0.728 7.159 ( 0.401 0.000 -0.847) 0.937 7.170 ( 0.091 0.000 0.826) 0.831 7.329 ( -0.223 0.000 2.721) 2.730 7.335 ( 1.165 0.000 -1.557) 1.945 7.392 ( -0.913 0.000 0.483) 1.032 7.396 ( -0.232 0.000 -1.554) 1.571 8.064 ( 0.047 0.000 -1.092) 1.093 8.076 ( -0.207 0.000 0.358) 0.414 8.465 ( 0.309 0.000 0.258) 0.403 8.470 ( 0.214 0.000 0.588) 0.626 8.713 ( -0.229 0.000 1.589) 1.605 8.747 ( 0.703 0.000 0.623) 0.940 8.939 ( -0.829 0.000 2.870) 2.988 8.942 ( 1.012 0.000 -2.520) 2.716 9.203 ( -0.922 0.000 1.090) 1.428 9.208 ( 0.010 0.000 -1.860) 1.860 9.327 ( -1.972 0.000 -2.129) 2.902 9.361 ( -1.515 0.000 -0.405) 1.568 9.658 ( 0.268 0.000 0.605) 0.662 9.672 ( 0.975 0.000 -0.219) 0.999 9.810 ( -1.706 0.000 -1.480) 2.258 9.812 ( -2.081 0.000 1.204) 2.404 10.786 ( 3.090 0.000 -1.344) 3.370 10.801 ( 3.293 0.000 2.392) 4.070 10.912 ( -1.736 0.000 2.203) 2.805 10.950 ( 1.312 0.000 -3.174) 3.434 ======================= Grid point 108 (55/64) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 2.603 0.000 -6.032) 6.570 0.831 ( 1.560 0.000 -4.218) 4.498 0.850 ( 3.066 0.000 2.635) 4.042 0.892 ( -1.197 0.000 -0.711) 1.392 0.956 ( 0.266 0.000 -0.094) 0.283 0.959 ( -2.613 0.000 3.016) 3.990 1.107 ( 0.048 0.000 2.226) 2.226 1.116 ( 0.104 0.000 -0.455) 0.467 1.288 ( 4.216 0.000 -3.848) 5.708 1.290 ( 1.813 0.000 1.375) 2.275 1.336 ( -1.530 0.000 1.627) 2.234 1.337 ( 0.852 0.000 -1.744) 1.941 1.376 ( -1.095 0.000 -0.330) 1.143 1.422 ( -2.543 0.000 -2.938) 3.886 1.480 ( 0.149 0.000 2.251) 2.256 1.505 ( -0.230 0.000 -2.202) 2.214 1.585 ( 1.433 0.000 -0.848) 1.665 1.619 ( -0.123 0.000 1.984) 1.988 1.643 ( 2.163 0.000 -0.858) 2.327 1.654 ( 0.385 0.000 0.529) 0.654 1.673 ( 0.777 0.000 0.720) 1.059 1.724 ( -4.214 0.000 -1.241) 4.393 1.793 ( 0.789 0.000 -1.811) 1.976 1.803 ( 0.418 0.000 -0.676) 0.794 1.834 ( 1.307 0.000 2.454) 2.781 1.880 ( -1.363 0.000 -1.747) 2.216 1.916 ( 4.035 0.000 1.603) 4.342 2.005 ( 1.040 0.000 2.231) 2.461 2.071 ( -1.650 0.000 -1.878) 2.499 2.114 ( -2.182 0.000 1.476) 2.635 2.183 ( 1.574 0.000 -0.003) 1.574 2.198 ( 0.232 0.000 2.030) 2.043 2.283 ( -1.862 0.000 4.258) 4.648 2.289 ( -0.124 0.000 -2.091) 2.094 2.568 ( 2.219 0.000 -3.838) 4.434 2.641 ( -5.081 0.000 2.210) 5.541 2.657 ( 2.018 0.000 -1.084) 2.290 2.700 ( -2.415 0.000 1.644) 2.921 2.781 ( -0.269 0.000 -1.770) 1.790 2.797 ( -2.460 0.000 0.934) 2.631 2.988 ( 1.725 0.000 0.194) 1.736 3.012 ( -0.553 0.000 0.380) 0.671 3.267 ( 3.834 0.000 2.483) 4.568 3.308 ( 1.654 0.000 -1.217) 2.054 3.513 ( -1.692 0.000 3.710) 4.077 3.535 ( -0.988 0.000 -3.929) 4.051 3.570 ( -0.240 0.000 1.412) 1.432 3.583 ( 0.006 0.000 -2.845) 2.845 4.395 ( 1.193 0.000 -1.606) 2.000 4.418 ( -1.871 0.000 1.761) 2.570 4.561 ( -0.652 0.000 3.066) 3.134 4.569 ( 0.415 0.000 -3.139) 3.166 5.900 ( 0.217 0.000 1.728) 1.741 5.901 ( 0.985 0.000 -1.186) 1.542 6.149 ( -1.041 0.000 1.788) 2.069 6.154 ( -0.441 0.000 -1.754) 1.809 6.365 ( -0.301 0.000 1.041) 1.084 6.366 ( 0.229 0.000 -1.028) 1.053 7.166 ( 0.635 0.000 -0.768) 0.996 7.172 ( -0.364 0.000 0.755) 0.838 7.347 ( 0.263 0.000 2.831) 2.843 7.351 ( 1.153 0.000 -1.220) 1.678 7.374 ( -0.994 0.000 0.352) 1.055 7.376 ( -0.543 0.000 -1.931) 2.006 8.063 ( 0.374 0.000 -0.708) 0.801 8.070 ( -0.481 0.000 0.252) 0.543 8.474 ( 0.324 0.000 0.213) 0.388 8.476 ( 0.058 0.000 0.352) 0.357 8.729 ( 0.583 0.000 1.913) 2.000 8.749 ( -0.443 0.000 -0.623) 0.765 8.941 ( -0.657 0.000 2.880) 2.955 8.945 ( 0.665 0.000 -2.597) 2.681 9.193 ( -0.679 0.000 1.299) 1.465 9.195 ( 0.026 0.000 -1.850) 1.850 9.295 ( 0.635 0.000 -2.546) 2.624 9.319 ( -2.376 0.000 0.859) 2.526 9.674 ( 0.719 0.000 0.851) 1.114 9.686 ( 0.264 0.000 -0.528) 0.591 9.772 ( -0.378 0.000 -2.101) 2.135 9.778 ( -1.836 0.000 1.743) 2.532 10.843 ( 3.314 0.000 -2.367) 4.073 10.882 ( -0.227 0.000 3.577) 3.584 10.891 ( 0.356 0.000 3.360) 3.379 10.940 ( -0.201 0.000 -4.265) 4.270 ======================= Grid point 111 (56/64) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 3.367 4.556 -7.811) 9.649 0.751 ( -3.367 4.556 7.811) 9.649 0.857 ( -3.162 -1.934 -10.579) 11.210 0.857 ( 3.162 -1.934 10.579) 11.210 0.981 ( -0.656 -0.357 -1.837) 1.983 0.981 ( 0.656 -0.357 1.837) 1.983 1.129 ( -0.317 -2.535 -2.503) 3.576 1.129 ( 0.317 -2.535 2.503) 3.576 1.202 ( -2.489 -0.320 -2.087) 3.264 1.202 ( 2.489 -0.320 2.087) 3.264 1.345 ( -2.278 -0.942 -2.589) 3.575 1.345 ( 2.278 -0.942 2.589) 3.575 1.434 ( 0.919 -2.974 -2.386) 3.922 1.434 ( -0.919 -2.974 2.386) 3.922 1.463 ( 0.072 -0.097 -1.580) 1.585 1.463 ( -0.072 -0.097 1.580) 1.585 1.524 ( -0.120 -0.505 -1.954) 2.022 1.524 ( 0.120 -0.505 1.954) 2.022 1.641 ( 1.760 -0.521 -2.156) 2.831 1.641 ( -1.760 -0.521 2.156) 2.831 1.725 ( -0.692 2.068 -2.185) 3.087 1.725 ( 0.692 2.068 2.185) 3.087 1.802 ( -0.213 -0.077 -2.525) 2.535 1.802 ( 0.213 -0.077 2.525) 2.535 1.861 ( 0.098 -0.579 -1.447) 1.562 1.861 ( -0.098 -0.579 1.447) 1.562 1.927 ( -0.282 2.007 -2.954) 3.583 1.927 ( 0.282 2.007 2.954) 3.583 2.093 ( -1.880 2.087 -1.229) 3.066 2.093 ( 1.880 2.087 1.229) 3.066 2.187 ( 0.039 2.959 -0.869) 3.084 2.187 ( -0.039 2.959 0.869) 3.084 2.349 ( 1.160 0.525 -3.055) 3.309 2.349 ( -1.160 0.525 3.055) 3.309 2.624 ( -0.417 -3.579 -2.665) 4.482 2.624 ( 0.417 -3.579 2.665) 4.482 2.696 ( -1.849 -0.987 -2.313) 3.122 2.696 ( 1.849 -0.987 2.313) 3.122 2.901 ( 1.210 -0.083 -0.539) 1.327 2.901 ( -1.210 -0.083 0.539) 1.327 2.936 ( -2.258 2.153 -1.817) 3.611 2.936 ( 2.258 2.153 1.817) 3.611 3.176 ( -1.888 -2.304 -1.763) 3.461 3.176 ( 1.888 -2.304 1.763) 3.461 3.523 ( 1.493 -0.038 -2.749) 3.129 3.523 ( -1.493 -0.038 2.749) 3.129 3.606 ( 1.176 -1.547 -2.145) 2.894 3.606 ( -1.176 -1.547 2.145) 2.894 4.431 ( -0.858 1.030 -1.282) 1.855 4.431 ( 0.858 1.030 1.282) 1.855 4.567 ( 1.639 -0.606 -3.683) 4.077 4.567 ( -1.639 -0.606 3.683) 4.077 5.872 ( 0.542 0.142 -1.071) 1.209 5.872 ( -0.542 0.142 1.071) 1.209 6.142 ( 0.670 -3.197 -1.218) 3.486 6.142 ( -0.670 -3.197 1.218) 3.486 6.438 ( 0.667 6.323 -1.996) 6.664 6.438 ( -0.667 6.323 1.996) 6.664 7.128 ( 0.014 -3.636 -0.382) 3.656 7.128 ( -0.014 -3.636 0.382) 3.656 7.320 ( 0.841 -0.065 -2.477) 2.617 7.320 ( -0.841 -0.065 2.477) 2.617 7.408 ( 0.337 0.307 -0.643) 0.788 7.408 ( -0.337 0.307 0.643) 0.788 8.093 ( 0.203 2.017 -1.736) 2.669 8.093 ( -0.203 2.017 1.736) 2.669 8.427 ( 0.157 -3.206 -0.908) 3.336 8.427 ( -0.157 -3.206 0.908) 3.336 8.728 ( -0.377 0.368 -0.667) 0.850 8.728 ( 0.377 0.368 0.667) 0.850 8.964 ( 0.734 2.191 -2.598) 3.477 8.964 ( -0.734 2.191 2.598) 3.477 9.202 ( 0.330 -2.068 -2.104) 2.969 9.202 ( -0.330 -2.068 2.104) 2.969 9.262 ( -0.345 -6.349 -1.662) 6.572 9.262 ( 0.345 -6.349 1.662) 6.572 9.666 ( -0.524 0.328 -0.315) 0.694 9.666 ( 0.524 0.328 0.315) 0.694 9.933 ( 0.197 7.062 -3.980) 8.108 9.933 ( -0.197 7.062 3.980) 8.108 10.775 ( -1.515 1.851 -0.188) 2.399 10.775 ( 1.515 1.851 0.188) 2.399 10.924 ( 1.467 -0.881 -2.013) 2.642 10.924 ( -1.467 -0.881 2.013) 2.642 ======================= Grid point 113 (57/64) ======================= q-point: ( 0.20 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( 1.459 -2.387 -11.204) 11.548 0.793 ( 2.458 4.001 5.942) 7.573 0.847 ( 7.590 2.730 -3.679) 8.865 0.933 ( 0.649 2.000 -0.427) 2.145 0.962 ( -0.737 0.688 -0.521) 1.135 1.019 ( 0.724 1.156 2.946) 3.246 1.098 ( -0.934 -1.675 0.739) 2.055 1.124 ( -1.051 0.167 0.922) 1.408 1.218 ( 2.806 -1.880 1.267) 3.607 1.243 ( -1.830 0.849 -1.640) 2.601 1.313 ( 2.661 -1.301 0.170) 2.967 1.386 ( -0.743 -0.676 1.731) 2.002 1.401 ( -0.225 -0.863 0.137) 0.903 1.451 ( -0.104 -0.167 -1.921) 1.931 1.466 ( 0.756 -2.240 -0.309) 2.384 1.487 ( 1.773 -2.596 0.065) 3.144 1.511 ( 0.444 -0.681 -2.315) 2.454 1.554 ( 2.254 -2.110 2.346) 3.878 1.616 ( -0.895 0.446 1.370) 1.696 1.667 ( -0.415 1.379 -0.158) 1.449 1.700 ( 0.287 -0.471 -1.312) 1.423 1.761 ( -0.226 -0.054 -2.221) 2.233 1.789 ( 2.335 1.882 -1.394) 3.308 1.806 ( -0.448 -0.070 1.605) 1.668 1.851 ( -1.417 -0.872 -0.516) 1.741 1.875 ( -0.587 1.597 -1.620) 2.349 1.887 ( 0.458 1.079 0.236) 1.195 1.941 ( 1.239 1.739 1.282) 2.490 2.087 ( 0.298 -1.898 1.399) 2.377 2.138 ( -0.161 1.680 0.001) 1.688 2.180 ( -0.270 2.002 0.119) 2.024 2.210 ( 1.394 4.569 3.504) 5.924 2.322 ( -2.241 0.796 1.847) 3.011 2.329 ( -1.410 1.008 -2.146) 2.759 2.590 ( -1.081 -2.063 -4.091) 4.708 2.625 ( -1.973 -2.070 -1.187) 3.096 2.640 ( -0.963 -3.969 1.516) 4.357 2.708 ( -1.365 -1.081 0.955) 1.986 2.870 ( -2.002 1.258 0.913) 2.534 2.884 ( -2.081 3.849 -0.512) 4.405 2.933 ( 1.691 -1.112 -0.259) 2.040 2.995 ( 1.282 0.330 1.605) 2.080 3.154 ( 1.388 -3.116 -0.109) 3.413 3.240 ( 3.118 -1.526 0.888) 3.584 3.510 ( -1.148 -0.560 2.508) 2.814 3.544 ( 0.773 -0.775 -1.232) 1.648 3.574 ( -1.162 -1.253 -0.160) 1.717 3.610 ( -0.153 -0.485 -2.636) 2.685 4.404 ( -0.670 0.862 -1.233) 1.647 4.443 ( -0.752 0.579 1.143) 1.486 4.554 ( -1.212 -0.661 2.774) 3.098 4.574 ( 0.657 -0.445 -2.703) 2.817 5.875 ( 0.311 -0.221 1.113) 1.176 5.885 ( 1.032 0.082 -0.632) 1.213 6.130 ( -1.049 -2.802 1.176) 3.215 6.141 ( -0.211 -2.923 -0.937) 3.077 6.435 ( -0.476 6.273 1.111) 6.388 6.439 ( 0.300 6.438 -1.246) 6.565 7.126 ( 0.063 -3.594 0.058) 3.595 7.134 ( 0.177 -3.808 0.120) 3.814 7.325 ( 0.206 -0.101 1.545) 1.561 7.331 ( 1.038 0.026 -0.711) 1.258 7.398 ( -0.832 0.295 0.300) 0.932 7.404 ( -0.288 0.513 -0.987) 1.149 8.084 ( -0.008 1.886 -1.064) 2.165 8.098 ( -0.212 2.165 0.411) 2.214 8.425 ( 0.084 -3.506 0.471) 3.538 8.435 ( 0.283 -3.124 0.219) 3.145 8.718 ( -0.150 0.468 1.134) 1.236 8.749 ( 0.627 0.036 0.572) 0.850 8.961 ( -0.102 2.063 -0.220) 2.077 8.966 ( -0.063 1.927 0.199) 1.938 9.186 ( -0.322 -2.816 -1.746) 3.329 9.202 ( -0.816 -1.872 0.960) 2.256 9.242 ( -0.184 -4.336 -2.112) 4.826 9.268 ( -0.617 -5.675 1.161) 5.825 9.664 ( 0.614 0.467 -0.126) 0.782 9.688 ( 1.401 0.738 -0.194) 1.596 9.885 ( -2.379 6.334 -2.407) 7.181 9.917 ( -3.214 7.044 2.780) 8.227 10.778 ( 1.774 0.279 -0.113) 1.799 10.834 ( 3.407 2.060 0.817) 4.064 10.900 ( -1.664 -1.100 1.475) 2.481 10.944 ( 1.258 -0.599 -2.295) 2.685 ======================= Grid point 114 (58/64) ======================= q-point: ( 0.40 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( 6.116 -0.409 -5.971) 8.557 0.866 ( -0.450 1.549 4.104) 4.409 0.898 ( -1.937 2.771 -1.140) 3.568 0.927 ( -1.376 1.878 -1.944) 3.033 0.978 ( 3.997 3.796 0.791) 5.569 1.022 ( -0.508 4.611 1.437) 4.856 1.107 ( 0.407 -0.002 1.468) 1.524 1.123 ( -0.178 0.790 -0.749) 1.103 1.225 ( 1.502 -2.833 0.361) 3.227 1.261 ( 0.126 -2.105 -0.703) 2.223 1.330 ( 0.268 -0.506 -1.379) 1.493 1.366 ( -1.281 -0.082 1.279) 1.813 1.417 ( 0.461 3.139 -1.311) 3.433 1.443 ( -0.286 -1.209 -0.392) 1.303 1.472 ( 0.455 0.123 2.678) 2.719 1.498 ( -0.036 0.238 -2.454) 2.465 1.552 ( 3.863 -2.715 0.942) 4.814 1.615 ( -0.004 -2.201 0.568) 2.273 1.624 ( 1.189 -0.394 0.624) 1.399 1.661 ( -0.275 1.386 -1.592) 2.129 1.674 ( 0.685 -0.008 0.376) 0.782 1.742 ( -2.962 1.107 -1.567) 3.529 1.787 ( -0.455 0.423 -1.148) 1.305 1.802 ( -0.419 -0.345 -0.036) 0.544 1.841 ( 1.285 0.717 1.727) 2.269 1.874 ( -0.040 -0.197 -1.351) 1.366 1.923 ( 4.191 0.907 0.581) 4.327 2.003 ( 1.531 -0.195 1.838) 2.400 2.068 ( -3.901 0.191 -1.805) 4.303 2.083 ( -1.699 -2.277 0.430) 2.873 2.197 ( 1.953 1.195 -0.094) 2.291 2.235 ( -1.447 2.448 2.280) 3.644 2.293 ( -1.641 1.204 3.117) 3.723 2.297 ( -0.200 0.672 -3.016) 3.097 2.559 ( 1.552 -0.840 -3.158) 3.618 2.597 ( -2.301 -2.730 1.355) 3.819 2.636 ( 0.836 -2.573 0.368) 2.731 2.672 ( -2.101 -1.953 -0.033) 2.869 2.837 ( -1.207 3.562 0.975) 3.885 2.845 ( -1.268 4.529 -0.519) 4.732 2.968 ( 1.709 -1.719 -0.214) 2.434 2.995 ( -1.143 -1.458 0.430) 1.902 3.227 ( 3.966 -3.665 1.807) 5.695 3.285 ( 0.083 -2.790 -0.831) 2.912 3.501 ( -0.172 -0.647 2.508) 2.596 3.540 ( -1.216 0.264 -1.901) 2.272 3.563 ( 0.182 -0.639 0.942) 1.153 3.582 ( -0.414 -0.155 -2.603) 2.640 4.397 ( 0.844 0.307 -1.271) 1.556 4.419 ( -1.880 0.115 1.362) 2.324 4.555 ( -0.304 -0.506 2.302) 2.376 4.565 ( 0.131 -0.417 -2.370) 2.410 5.892 ( 0.416 -0.565 1.213) 1.401 5.898 ( 0.483 -0.388 -0.877) 1.074 6.120 ( -0.467 -2.212 1.154) 2.538 6.127 ( -0.396 -2.259 -1.071) 2.531 6.434 ( -0.292 6.348 1.117) 6.452 6.436 ( 0.188 6.454 -1.188) 6.565 7.130 ( 0.259 -3.721 0.075) 3.731 7.135 ( -0.120 -3.838 0.045) 3.840 7.343 ( 0.656 -0.271 1.061) 1.277 7.348 ( 0.687 -0.032 -0.143) 0.702 7.382 ( -0.720 0.558 0.315) 0.964 7.387 ( -0.572 0.834 -1.176) 1.551 8.083 ( 0.406 1.945 -0.590) 2.073 8.091 ( -0.550 2.117 0.186) 2.195 8.433 ( 0.260 -3.624 0.633) 3.688 8.438 ( 0.002 -3.376 -0.199) 3.381 8.733 ( 0.615 0.262 1.528) 1.668 8.752 ( -0.398 0.012 -0.495) 0.635 8.959 ( -0.010 1.747 0.258) 1.766 8.963 ( -0.176 1.575 -0.311) 1.615 9.177 ( 0.469 -2.642 -1.615) 3.132 9.186 ( -1.119 -2.234 1.047) 2.709 9.238 ( 0.842 -2.744 -1.477) 3.228 9.254 ( -1.252 -3.702 0.954) 4.023 9.688 ( 1.456 1.143 0.427) 1.900 9.708 ( 0.333 1.382 -0.716) 1.591 9.836 ( -0.666 5.460 -0.993) 5.590 9.859 ( -3.035 5.988 1.173) 6.815 10.826 ( 2.750 -0.927 -0.649) 2.974 10.870 ( -2.075 -1.179 1.280) 2.708 10.903 ( 2.104 0.971 2.262) 3.238 10.941 ( -0.116 -0.041 -2.770) 2.772 ======================= Grid point 117 (59/64) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( -1.395 -1.089 -11.358) 11.495 0.794 ( 1.395 -1.089 11.358) 11.495 0.889 ( -0.754 5.814 -6.128) 8.481 0.889 ( 0.754 5.814 6.128) 8.481 0.983 ( -0.160 0.566 -2.482) 2.551 0.983 ( 0.160 0.566 2.482) 2.551 1.080 ( 0.155 -1.505 -1.084) 1.861 1.080 ( -0.155 -1.505 1.084) 1.861 1.193 ( -2.066 -2.136 -0.518) 3.017 1.193 ( 2.066 -2.136 0.518) 3.017 1.304 ( -0.404 -2.375 -1.712) 2.955 1.304 ( 0.404 -2.375 1.712) 2.955 1.382 ( 0.895 -1.293 -1.090) 1.914 1.382 ( -0.895 -1.293 1.090) 1.914 1.424 ( 1.123 -2.643 -1.672) 3.323 1.424 ( -1.123 -2.643 1.672) 3.323 1.540 ( -0.278 1.064 -0.213) 1.120 1.540 ( 0.278 1.064 0.213) 1.120 1.634 ( 0.853 -0.007 -1.085) 1.380 1.634 ( -0.853 -0.007 1.085) 1.380 1.757 ( -0.627 0.897 -1.095) 1.549 1.757 ( 0.627 0.897 1.095) 1.549 1.794 ( 0.031 -0.933 -1.999) 2.206 1.794 ( -0.031 -0.933 1.999) 2.206 1.850 ( -0.008 -0.007 -1.312) 1.312 1.850 ( 0.008 -0.007 1.312) 1.312 1.957 ( 0.086 0.681 -1.381) 1.542 1.957 ( -0.086 0.681 1.381) 1.542 2.160 ( -2.518 4.288 -2.942) 5.778 2.160 ( 2.518 4.288 2.942) 5.778 2.265 ( -0.607 3.577 -2.107) 4.195 2.265 ( 0.607 3.577 2.107) 4.195 2.363 ( -0.321 0.810 -1.007) 1.332 2.363 ( 0.321 0.810 1.007) 1.332 2.558 ( 0.459 -2.121 -0.637) 2.262 2.558 ( -0.459 -2.121 0.637) 2.262 2.653 ( -1.627 -3.248 -3.183) 4.830 2.653 ( 1.627 -3.248 3.183) 4.830 2.894 ( 0.675 -0.453 -0.704) 1.075 2.894 ( -0.675 -0.453 0.704) 1.075 2.988 ( -1.331 2.765 -1.464) 3.400 2.988 ( 1.331 2.765 1.464) 3.400 3.121 ( -2.157 -2.983 -2.517) 4.459 3.121 ( 2.157 -2.983 2.517) 4.459 3.515 ( 0.810 -0.689 -2.179) 2.425 3.515 ( -0.810 -0.689 2.179) 2.425 3.573 ( 0.890 -1.432 -1.595) 2.321 3.573 ( -0.890 -1.432 1.595) 2.321 4.457 ( -0.465 1.342 -0.743) 1.602 4.457 ( 0.465 1.342 0.743) 1.602 4.551 ( 1.192 -0.908 -2.572) 2.977 4.551 ( -1.192 -0.908 2.572) 2.977 5.875 ( 0.522 0.178 -0.633) 0.839 5.875 ( -0.522 0.178 0.633) 0.839 6.082 ( 0.437 -2.381 -0.727) 2.528 6.082 ( -0.437 -2.381 0.727) 2.528 6.603 ( 0.874 9.518 -2.649) 9.918 6.603 ( -0.874 9.518 2.649) 9.918 7.008 ( 0.662 -7.973 -1.639) 8.166 7.008 ( -0.662 -7.973 1.639) 8.166 7.334 ( 0.632 1.311 -2.321) 2.739 7.334 ( -0.632 1.311 2.321) 2.739 7.404 ( 0.373 -0.809 -0.756) 1.169 7.404 ( -0.373 -0.809 0.756) 1.169 8.150 ( 0.371 3.349 -2.461) 4.172 8.150 ( -0.371 3.349 2.461) 4.172 8.350 ( 0.289 -4.041 -1.823) 4.443 8.350 ( -0.289 -4.041 1.823) 4.443 8.734 ( -0.112 0.216 -0.543) 0.595 8.734 ( 0.112 0.216 0.543) 0.595 9.007 ( 0.516 1.226 -2.090) 2.477 9.007 ( -0.516 1.226 2.090) 2.477 9.104 ( 0.382 -3.914 -2.089) 4.453 9.104 ( -0.382 -3.914 2.089) 4.453 9.218 ( 0.382 -0.653 -1.135) 1.364 9.218 ( -0.382 -0.653 1.135) 1.364 9.670 ( -0.518 0.130 -0.015) 0.534 9.670 ( 0.518 0.130 0.015) 0.534 10.050 ( 0.141 3.998 -3.311) 5.193 10.050 ( -0.141 3.998 3.311) 5.193 10.819 ( -2.072 2.318 -0.057) 3.109 10.819 ( 2.072 2.318 0.057) 3.109 10.899 ( 0.561 -1.524 -1.208) 2.024 10.899 ( -0.561 -1.524 1.208) 2.024 ======================= Grid point 119 (60/64) ======================= q-point: ( 0.20 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 3.146 2.145 -7.811) 8.689 0.882 ( 1.043 3.700 4.969) 6.282 0.902 ( 4.093 0.315 1.198) 4.276 0.969 ( 0.622 1.832 -0.988) 2.172 0.989 ( -0.435 0.667 1.524) 1.720 1.039 ( 6.105 3.577 2.840) 7.624 1.083 ( 0.414 0.172 -0.166) 0.478 1.109 ( 1.575 -1.618 4.654) 5.172 1.185 ( 1.038 -0.175 0.152) 1.063 1.270 ( 1.402 -2.927 -0.151) 3.249 1.283 ( 1.066 1.820 0.169) 2.116 1.344 ( 1.033 -3.509 1.675) 4.023 1.379 ( 0.767 -0.916 1.598) 1.995 1.392 ( 0.771 -3.331 1.293) 3.656 1.399 ( -0.208 -3.694 -0.354) 3.717 1.437 ( 1.044 -2.572 -1.136) 2.999 1.534 ( 0.168 2.154 -1.883) 2.866 1.551 ( 0.687 1.193 0.431) 1.442 1.621 ( -0.317 0.146 0.835) 0.905 1.651 ( 0.441 -1.526 -0.925) 1.838 1.729 ( -1.482 1.860 0.281) 2.395 1.758 ( -0.644 -0.035 -1.121) 1.293 1.793 ( -0.809 -1.470 2.048) 2.647 1.810 ( 1.715 -0.623 0.535) 1.902 1.839 ( -0.227 0.738 0.602) 0.979 1.866 ( 0.582 -0.404 -0.058) 0.711 1.951 ( 0.816 1.836 -1.037) 2.261 1.987 ( 1.730 1.155 -1.361) 2.485 2.078 ( -2.533 3.521 -4.271) 6.088 2.189 ( -0.769 3.422 -0.609) 3.559 2.233 ( -1.161 2.702 -1.357) 3.239 2.279 ( -0.952 0.281 0.955) 1.377 2.340 ( -0.663 1.083 -1.886) 2.274 2.361 ( -0.867 1.859 -0.340) 2.079 2.546 ( -0.744 -1.279 0.677) 1.627 2.565 ( 0.127 -2.347 -0.176) 2.357 2.586 ( -2.067 -2.223 -2.910) 4.205 2.665 ( -1.574 -3.276 0.870) 3.737 2.892 ( -0.037 0.741 1.126) 1.349 2.907 ( 0.940 -0.846 -0.556) 1.381 2.959 ( -0.904 2.877 -0.072) 3.017 3.017 ( -0.622 2.443 1.611) 2.991 3.081 ( 0.575 -3.725 -0.647) 3.824 3.185 ( 2.008 -3.887 1.739) 4.708 3.495 ( -1.468 -0.643 0.994) 1.886 3.519 ( -0.082 -1.284 2.052) 2.422 3.561 ( 0.442 -0.102 -1.193) 1.276 3.592 ( 0.676 -1.202 -2.194) 2.591 4.427 ( -1.385 1.327 -0.520) 1.988 4.454 ( -1.360 0.387 0.333) 1.453 4.541 ( -0.550 -0.434 1.492) 1.648 4.560 ( 0.456 -0.889 -1.617) 1.901 5.873 ( 0.010 0.115 0.768) 0.776 5.884 ( 0.614 -0.178 -0.627) 0.895 6.078 ( -0.355 -2.013 0.749) 2.177 6.085 ( 0.194 -2.268 -0.614) 2.357 6.600 ( -0.386 9.602 1.254) 9.691 6.607 ( 0.465 9.690 -1.121) 9.766 7.006 ( -0.458 -8.036 1.664) 8.219 7.013 ( 0.569 -7.947 -1.328) 8.077 7.335 ( 0.491 1.113 -0.380) 1.275 7.344 ( 0.492 1.088 0.616) 1.344 7.396 ( -0.611 -0.571 0.425) 0.938 7.404 ( 0.009 -0.621 -0.754) 0.977 8.139 ( 0.045 3.494 -0.943) 3.619 8.160 ( -0.064 3.675 0.715) 3.744 8.340 ( -0.139 -4.476 -0.190) 4.482 8.358 ( 0.031 -4.198 0.389) 4.216 8.728 ( -0.073 0.474 0.531) 0.715 8.746 ( 0.394 -0.328 0.124) 0.528 9.000 ( -0.059 0.941 -0.999) 1.373 9.006 ( -0.429 1.686 0.637) 1.853 9.100 ( 0.371 -3.117 -1.668) 3.555 9.107 ( -0.498 -4.281 1.585) 4.592 9.216 ( -0.194 -0.457 0.762) 0.909 9.221 ( 0.295 -0.736 -0.397) 0.886 9.676 ( 1.220 0.714 -0.080) 1.416 9.696 ( 1.985 0.016 -0.567) 2.065 10.002 ( -2.774 4.542 -2.057) 5.705 10.030 ( -3.523 3.561 2.753) 5.715 10.799 ( 0.169 1.611 -0.072) 1.621 10.869 ( 0.194 -0.353 0.197) 0.449 10.874 ( 1.044 0.400 0.589) 1.264 10.927 ( 1.354 -1.053 -1.026) 1.999 ======================= Grid point 120 (61/64) ======================= q-point: ( 0.40 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( 6.614 3.778 -2.818) 8.121 0.907 ( -1.370 2.353 2.722) 3.850 0.932 ( -0.052 0.014 -1.758) 1.759 0.955 ( -2.512 1.279 0.159) 2.823 1.061 ( 4.502 2.022 4.174) 6.464 1.098 ( 1.856 1.447 1.936) 3.047 1.127 ( 1.292 3.205 -1.807) 3.900 1.157 ( -2.420 2.642 -0.546) 3.624 1.191 ( 1.725 0.014 2.981) 3.445 1.240 ( 0.000 0.188 -2.333) 2.341 1.300 ( -1.010 -2.198 -0.651) 2.505 1.334 ( -3.139 -3.922 0.390) 5.038 1.417 ( 2.506 0.870 2.441) 3.605 1.441 ( 1.132 -0.483 -0.587) 1.364 1.461 ( 3.273 -3.014 2.189) 4.959 1.485 ( 3.823 -2.577 0.491) 4.636 1.524 ( 0.563 1.927 -2.074) 2.887 1.566 ( -0.649 -0.635 1.700) 1.928 1.629 ( 0.552 -0.305 0.228) 0.671 1.640 ( -0.792 -2.140 -0.243) 2.295 1.709 ( 0.746 1.656 -0.142) 1.822 1.757 ( -0.853 0.783 -0.454) 1.243 1.791 ( 0.072 -1.177 1.401) 1.831 1.806 ( -1.479 0.131 -0.382) 1.533 1.853 ( 0.473 1.020 0.369) 1.183 1.867 ( -0.510 -0.372 -0.308) 0.703 1.985 ( 3.145 1.850 -0.501) 3.683 2.011 ( 2.931 4.149 -2.437) 5.634 2.031 ( -1.283 -1.968 -0.560) 2.415 2.112 ( -5.644 4.002 -0.864) 6.973 2.217 ( 0.060 0.484 0.204) 0.529 2.243 ( -1.620 -2.084 -1.887) 3.244 2.321 ( 0.146 1.444 -1.583) 2.147 2.333 ( -1.533 1.802 0.585) 2.437 2.536 ( 0.212 -1.012 -0.302) 1.077 2.550 ( -0.603 -1.644 -0.823) 1.935 2.582 ( 1.031 -2.263 1.019) 2.687 2.622 ( -2.245 -3.019 -0.557) 3.803 2.905 ( 0.538 1.915 1.069) 2.258 2.918 ( 0.012 0.380 -0.444) 0.584 2.952 ( 0.694 2.338 -0.294) 2.457 2.983 ( -2.381 1.970 0.836) 3.201 3.133 ( 3.368 -5.193 0.678) 6.226 3.195 ( -1.761 -5.683 -0.075) 5.951 3.499 ( 1.063 0.512 2.869) 3.102 3.545 ( 0.687 -0.731 2.804) 2.978 3.547 ( -0.954 0.079 -2.755) 2.916 3.575 ( -0.466 -0.584 -2.824) 2.922 4.407 ( -0.021 0.630 -0.573) 0.852 4.422 ( -1.629 0.060 0.539) 1.717 4.544 ( -0.042 -0.409 1.309) 1.373 4.553 ( -0.053 -0.679 -1.448) 1.600 5.882 ( 0.231 -0.276 0.875) 0.947 5.888 ( 0.168 -0.461 -0.780) 0.921 6.078 ( -0.070 -1.669 0.732) 1.824 6.082 ( -0.043 -1.831 -0.659) 1.946 6.602 ( -0.194 9.814 1.409) 9.917 6.607 ( 0.236 9.875 -1.329) 9.967 7.009 ( -0.285 -8.049 1.810) 8.255 7.014 ( 0.367 -7.985 -1.586) 8.150 7.346 ( 0.772 0.614 -0.469) 1.092 7.354 ( -0.107 0.526 0.655) 0.846 7.389 ( -0.193 -0.001 0.569) 0.601 7.396 ( -0.269 -0.102 -0.844) 0.892 8.142 ( 0.599 3.820 -0.442) 3.892 8.154 ( -0.668 3.978 0.272) 4.043 8.344 ( 0.458 -4.852 0.168) 4.877 8.355 ( -0.446 -4.623 -0.004) 4.645 8.736 ( 0.348 0.110 0.895) 0.966 8.747 ( -0.158 -0.390 -0.494) 0.649 8.996 ( 0.159 1.273 -0.605) 1.419 8.999 ( -0.455 1.691 0.393) 1.795 9.100 ( 0.464 -3.158 -1.217) 3.416 9.104 ( -0.581 -3.733 1.123) 3.941 9.219 ( -0.076 -0.354 0.960) 1.026 9.223 ( 0.144 -0.567 -0.712) 0.921 9.713 ( 1.894 1.193 0.487) 2.291 9.729 ( 1.141 0.599 -0.977) 1.618 9.942 ( -1.326 4.263 -0.912) 4.557 9.962 ( -3.521 3.560 1.351) 5.186 10.818 ( 1.422 0.094 -0.128) 1.431 10.846 ( -1.397 -1.112 0.347) 1.819 10.919 ( 1.411 0.551 0.816) 1.720 10.937 ( 0.196 -0.379 -1.146) 1.223 ======================= Grid point 123 (62/64) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( 0.000 0.000 0.000) 0.000 0.784 ( 0.000 0.000 0.000) 0.000 0.966 ( 0.000 -0.000 0.000) 0.000 0.966 ( 0.000 0.000 0.000) 0.000 0.991 ( 0.000 0.000 0.000) 0.000 0.991 ( 0.000 0.000 0.000) 0.000 1.102 ( 0.000 -0.000 -0.000) 0.000 1.102 ( 0.000 0.000 -0.000) 0.000 1.114 ( -0.000 -0.000 0.000) 0.000 1.114 ( -0.000 0.000 0.000) 0.000 1.280 ( -0.000 0.000 0.000) 0.000 1.280 ( 0.000 0.000 0.000) 0.000 1.375 ( -0.000 -0.000 -0.000) 0.000 1.375 ( 0.000 0.000 0.000) 0.000 1.392 ( 0.000 0.000 0.000) 0.000 1.392 ( 0.000 0.000 0.000) 0.000 1.550 ( 0.000 0.000 0.000) 0.000 1.550 ( 0.000 0.000 0.000) 0.000 1.638 ( 0.000 0.000 0.000) 0.000 1.638 ( 0.000 0.000 0.000) 0.000 1.764 ( -0.000 -0.000 0.000) 0.000 1.764 ( 0.000 0.000 0.000) 0.000 1.778 ( 0.000 -0.000 0.000) 0.000 1.778 ( 0.000 0.000 0.000) 0.000 1.856 ( 0.000 0.000 0.000) 0.000 1.856 ( 0.000 0.000 0.000) 0.000 1.960 ( -0.000 0.000 0.000) 0.000 1.960 ( 0.000 0.000 0.000) 0.000 2.224 ( 0.000 -0.000 0.000) 0.000 2.224 ( 0.000 0.000 0.000) 0.000 2.291 ( 0.000 -0.000 0.000) 0.000 2.291 ( -0.000 0.000 0.000) 0.000 2.374 ( 0.000 -0.000 0.000) 0.000 2.374 ( 0.000 0.000 0.000) 0.000 2.562 ( 0.000 -0.000 -0.000) 0.000 2.562 ( 0.000 0.000 0.000) 0.000 2.589 ( 0.000 -0.000 0.000) 0.000 2.589 ( 0.000 0.000 0.000) 0.000 2.889 ( 0.000 0.000 0.000) 0.000 2.889 ( 0.000 0.000 0.000) 0.000 3.034 ( 0.000 -0.000 0.000) 0.000 3.034 ( 0.000 0.000 0.000) 0.000 3.072 ( -0.000 -0.000 0.000) 0.000 3.072 ( -0.000 0.000 -0.000) 0.000 3.506 ( 0.000 0.000 -0.000) 0.000 3.506 ( -0.000 0.000 0.000) 0.000 3.557 ( 0.000 0.000 -0.000) 0.000 3.557 ( 0.000 0.000 0.000) 0.000 4.474 ( 0.000 -0.000 0.000) 0.000 4.474 ( 0.000 0.000 0.000) 0.000 4.539 ( 0.000 0.000 0.000) 0.000 4.539 ( 0.000 0.000 0.000) 0.000 5.877 ( -0.000 0.000 0.000) 0.000 5.877 ( 0.000 0.000 0.000) 0.000 6.056 ( 0.000 0.000 0.000) 0.000 6.056 ( 0.000 0.000 0.000) 0.000 6.776 ( 0.000 0.000 0.000) 0.000 6.776 ( -0.000 0.000 0.000) 0.000 6.850 ( -0.000 0.000 0.000) 0.000 6.850 ( 0.000 -0.000 0.000) 0.000 7.357 ( 0.000 -0.000 -0.000) 0.000 7.357 ( 0.000 0.000 0.000) 0.000 7.386 ( 0.000 0.000 0.000) 0.000 7.386 ( 0.000 -0.000 0.000) 0.000 8.202 ( 0.000 -0.000 -0.000) 0.000 8.202 ( 0.000 0.000 0.000) 0.000 8.291 ( 0.000 -0.000 0.000) 0.000 8.291 ( 0.000 0.000 0.000) 0.000 8.736 ( 0.000 0.000 0.000) 0.000 8.736 ( 0.000 0.000 0.000) 0.000 9.006 ( 0.000 0.000 0.000) 0.000 9.006 ( 0.000 0.000 0.000) 0.000 9.079 ( 0.000 0.000 0.000) 0.000 9.079 ( 0.000 0.000 0.000) 0.000 9.210 ( -0.000 0.000 0.000) 0.000 9.210 ( 0.000 0.000 0.000) 0.000 9.671 ( 0.000 0.000 0.000) 0.000 9.671 ( 0.000 0.000 0.000) 0.000 10.090 ( 0.000 0.000 0.000) 0.000 10.090 ( 0.000 0.000 0.000) 0.000 10.861 ( 0.000 -0.000 -0.000) 0.000 10.861 ( 0.000 0.000 0.000) 0.000 10.866 ( -0.000 -0.000 0.000) 0.000 10.866 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 127 (63/64) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( 3.637 -5.121 -0.497) 6.301 0.823 ( 3.637 5.121 -0.497) 6.301 0.959 ( -0.571 -2.499 1.945) 3.218 0.959 ( -0.571 2.499 1.945) 3.218 1.032 ( 1.563 -3.554 1.879) 4.314 1.032 ( 1.563 3.554 1.879) 4.314 1.138 ( 1.905 -1.804 1.427) 2.987 1.138 ( 1.905 1.804 1.427) 2.987 1.181 ( 6.676 -5.263 2.520) 8.867 1.181 ( 6.676 5.263 2.520) 8.867 1.300 ( -0.288 -1.928 0.786) 2.102 1.300 ( -0.288 1.928 0.786) 2.102 1.347 ( -0.843 -1.555 -1.875) 2.577 1.347 ( -0.843 1.555 -1.875) 2.577 1.398 ( 0.871 -1.303 1.537) 2.195 1.398 ( 0.871 1.303 1.537) 2.195 1.565 ( 1.264 -0.508 -0.572) 1.478 1.565 ( 1.264 0.508 -0.572) 1.478 1.627 ( -0.910 -0.685 -0.204) 1.157 1.627 ( -0.910 0.685 -0.204) 1.157 1.756 ( -1.354 -1.356 0.901) 2.118 1.756 ( -1.354 1.356 0.901) 2.118 1.781 ( 0.654 -1.720 0.658) 1.954 1.781 ( 0.654 1.720 0.658) 1.954 1.860 ( 0.129 -0.672 0.408) 0.796 1.860 ( 0.129 0.672 0.408) 0.796 1.973 ( 1.230 -1.000 -0.390) 1.632 1.973 ( 1.230 1.000 -0.390) 1.632 2.197 ( -0.962 -5.266 -5.214) 7.472 2.197 ( -0.962 5.266 -5.214) 7.472 2.264 ( -2.145 -1.258 -1.230) 2.774 2.264 ( -2.145 1.258 -1.230) 2.774 2.360 ( -0.970 -1.230 -0.845) 1.780 2.360 ( -0.970 1.230 -0.845) 1.780 2.549 ( 0.111 -0.868 -2.353) 2.510 2.549 ( 0.111 0.868 -2.353) 2.510 2.585 ( -1.538 -3.978 1.900) 4.670 2.585 ( -1.538 3.978 1.900) 4.670 2.899 ( 0.692 -0.154 0.467) 0.849 2.899 ( 0.692 0.154 0.467) 0.849 3.013 ( -0.307 -2.856 -0.525) 2.920 3.013 ( -0.307 2.856 -0.525) 2.920 3.094 ( -0.079 -4.617 1.875) 4.984 3.094 ( -0.079 4.617 1.875) 4.984 3.497 ( -0.576 -0.801 1.942) 2.178 3.497 ( -0.576 0.801 1.942) 2.178 3.569 ( 0.918 -0.873 -1.646) 2.078 3.569 ( 0.918 0.873 -1.646) 2.078 4.451 ( -1.814 -0.795 -0.036) 1.981 4.451 ( -1.814 0.795 -0.036) 1.981 4.542 ( 0.200 -0.618 -0.222) 0.686 4.542 ( 0.200 0.618 -0.222) 0.686 5.879 ( 0.124 -0.337 0.027) 0.360 5.879 ( 0.124 0.337 0.027) 0.360 6.059 ( 0.147 -0.220 0.059) 0.271 6.059 ( 0.147 0.220 0.059) 0.271 6.781 ( 0.202 -1.244 0.696) 1.439 6.781 ( 0.202 1.244 0.696) 1.439 6.849 ( -0.025 -1.233 -0.385) 1.292 6.849 ( -0.025 1.233 -0.385) 1.292 7.358 ( 0.094 -0.518 0.028) 0.527 7.358 ( 0.094 0.518 0.028) 0.527 7.387 ( 0.111 -0.470 -0.140) 0.503 7.387 ( 0.111 0.470 -0.140) 0.503 8.208 ( 0.497 -1.593 0.154) 1.676 8.208 ( 0.497 1.593 0.154) 1.676 8.284 ( -0.608 -1.550 -0.177) 1.675 8.284 ( -0.608 1.550 -0.177) 1.675 8.737 ( 0.097 -0.445 0.074) 0.461 8.737 ( 0.097 0.445 0.074) 0.461 9.008 ( 0.050 -0.627 0.220) 0.666 9.008 ( 0.050 0.627 0.220) 0.666 9.076 ( -0.226 -0.315 -0.162) 0.420 9.076 ( -0.226 0.315 -0.162) 0.420 9.212 ( 0.104 -0.128 0.254) 0.303 9.212 ( 0.104 0.128 0.254) 0.303 9.690 ( 1.852 -0.572 -0.379) 1.975 9.690 ( 1.852 0.572 -0.379) 1.975 10.057 ( -3.098 -0.773 0.355) 3.213 10.057 ( -3.098 0.773 0.355) 3.213 10.835 ( -0.869 -1.845 0.060) 2.040 10.835 ( -0.869 1.845 0.060) 2.040 10.902 ( 1.830 -1.326 -0.227) 2.271 10.902 ( 1.830 1.326 -0.227) 2.271 ======================= Grid point 129 (64/64) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( 3.891 -3.291 -1.355) 5.274 0.901 ( 3.891 3.291 -1.355) 5.274 0.950 ( -1.812 -1.679 1.976) 3.163 0.950 ( -1.812 1.679 1.976) 3.163 1.085 ( 2.490 -1.634 1.715) 3.437 1.085 ( 2.490 1.634 1.715) 3.437 1.189 ( 1.858 -2.499 -0.053) 3.114 1.189 ( 1.858 2.499 -0.053) 3.114 1.225 ( -2.970 -3.367 1.004) 4.601 1.225 ( -2.970 3.367 1.004) 4.601 1.278 ( -1.483 -1.607 -0.891) 2.361 1.278 ( -1.483 1.607 -0.891) 2.361 1.415 ( 6.319 -0.310 2.065) 6.655 1.415 ( 6.319 0.310 2.065) 6.655 1.442 ( 1.486 -1.147 0.966) 2.111 1.442 ( 1.486 1.147 0.966) 2.111 1.579 ( 0.838 -2.127 -1.760) 2.885 1.579 ( 0.838 2.127 -1.760) 2.885 1.601 ( -2.129 -1.504 1.216) 2.876 1.601 ( -2.129 1.504 1.216) 2.876 1.740 ( -0.221 -1.822 0.505) 1.903 1.740 ( -0.221 1.822 0.505) 1.903 1.791 ( -0.401 -1.258 0.025) 1.321 1.791 ( -0.401 1.258 0.025) 1.321 1.869 ( 0.468 -0.212 0.873) 1.013 1.869 ( 0.468 0.212 0.873) 1.013 1.993 ( 0.545 -0.846 -0.093) 1.011 1.993 ( 0.545 0.846 -0.093) 1.011 2.153 ( 0.846 -6.108 -5.024) 7.954 2.153 ( 0.846 6.108 -5.024) 7.954 2.199 ( -3.342 -2.665 -0.157) 4.278 2.199 ( -3.342 2.665 -0.157) 4.278 2.337 ( -0.568 -0.544 -0.499) 0.931 2.337 ( -0.568 0.544 -0.499) 0.931 2.544 ( 0.263 -1.075 -0.584) 1.251 2.544 ( 0.263 1.075 -0.584) 1.251 2.558 ( -1.264 -2.574 0.331) 2.887 2.558 ( -1.264 2.574 0.331) 2.887 2.913 ( 0.319 -0.154 0.246) 0.431 2.913 ( 0.319 0.154 0.246) 0.431 3.029 ( 1.750 -4.376 0.115) 4.714 3.029 ( 1.750 4.376 0.115) 4.714 3.076 ( -2.134 -5.427 0.665) 5.869 3.076 ( -2.134 5.427 0.665) 5.869 3.519 ( 1.053 -1.314 2.972) 3.416 3.519 ( 1.053 1.314 2.972) 3.416 3.560 ( -0.534 -0.806 -2.649) 2.820 3.560 ( -0.534 0.806 -2.649) 2.820 4.419 ( -0.968 -0.390 -0.031) 1.044 4.419 ( -0.968 0.390 -0.031) 1.044 4.542 ( -0.031 -0.268 -0.120) 0.295 4.542 ( -0.031 0.268 -0.120) 0.295 5.882 ( 0.094 -0.193 0.021) 0.216 5.882 ( 0.094 0.193 0.021) 0.216 6.061 ( 0.074 -0.131 0.031) 0.154 6.061 ( 0.074 0.131 0.031) 0.154 6.789 ( 0.139 -0.942 0.488) 1.070 6.789 ( 0.139 0.942 0.488) 1.070 6.846 ( -0.029 -0.938 -0.292) 0.982 6.846 ( -0.029 0.938 -0.292) 0.982 7.360 ( 0.033 -0.325 -0.011) 0.327 7.360 ( 0.033 0.325 -0.011) 0.327 7.388 ( 0.083 -0.293 -0.072) 0.313 7.388 ( 0.083 0.293 -0.072) 0.313 8.220 ( 0.487 -1.509 0.157) 1.594 8.220 ( 0.487 1.509 0.157) 1.594 8.269 ( -0.541 -1.484 -0.157) 1.587 8.269 ( -0.541 1.484 -0.157) 1.587 8.740 ( 0.061 -0.271 0.051) 0.283 8.740 ( 0.061 0.271 0.051) 0.283 9.010 ( 0.015 -0.393 0.130) 0.414 9.010 ( 0.015 0.393 0.130) 0.414 9.070 ( -0.157 -0.221 -0.117) 0.295 9.070 ( -0.157 0.221 -0.117) 0.295 9.215 ( 0.076 -0.087 0.165) 0.201 9.215 ( 0.076 0.087 0.165) 0.201 9.731 ( 1.773 -0.472 -0.265) 1.854 9.731 ( 1.773 0.472 -0.265) 1.854 9.993 ( -2.530 -0.577 0.234) 2.605 9.993 ( -2.530 0.577 0.234) 2.605 10.827 ( -0.123 -0.737 0.032) 0.747 10.827 ( -0.123 0.737 0.032) 0.747 10.928 ( 0.712 -0.437 -0.119) 0.844 10.928 ( 0.712 0.437 -0.119) 0.844 =================== 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 3/15120 10.0 20.520 23.657 19.890 0.000 0.748 0.000 3/15120 20.0 4.768 5.335 4.357 0.000 0.280 0.000 3/15120 30.0 2.437 2.773 2.265 0.000 0.163 0.000 3/15120 40.0 1.629 1.886 1.534 0.000 0.117 0.000 3/15120 50.0 1.229 1.448 1.167 0.000 0.091 0.000 3/15120 60.0 0.990 1.187 0.946 0.000 0.075 0.000 3/15120 70.0 0.831 1.013 0.797 0.000 0.063 0.000 3/15120 80.0 0.717 0.887 0.691 0.000 0.054 0.000 3/15120 90.0 0.631 0.793 0.610 0.000 0.047 0.000 3/15120 100.0 0.564 0.718 0.547 0.000 0.042 0.000 3/15120 110.0 0.511 0.657 0.496 0.000 0.038 0.000 3/15120 120.0 0.467 0.606 0.454 0.000 0.034 0.000 3/15120 130.0 0.430 0.563 0.419 0.000 0.031 0.000 3/15120 140.0 0.399 0.526 0.389 0.000 0.029 0.000 3/15120 150.0 0.372 0.494 0.364 0.000 0.026 0.000 3/15120 160.0 0.349 0.465 0.341 0.000 0.024 0.000 3/15120 170.0 0.329 0.440 0.322 0.000 0.023 0.000 3/15120 180.0 0.310 0.417 0.304 0.000 0.021 0.000 3/15120 190.0 0.294 0.397 0.288 0.000 0.020 0.000 3/15120 200.0 0.280 0.378 0.274 0.000 0.019 0.000 3/15120 210.0 0.266 0.362 0.261 0.000 0.018 0.000 3/15120 220.0 0.254 0.346 0.250 0.000 0.017 0.000 3/15120 230.0 0.244 0.332 0.239 0.000 0.016 0.000 3/15120 240.0 0.234 0.319 0.229 0.000 0.015 0.000 3/15120 250.0 0.224 0.307 0.220 0.000 0.015 0.000 3/15120 260.0 0.216 0.296 0.212 0.000 0.014 0.000 3/15120 270.0 0.208 0.285 0.204 0.000 0.014 0.000 3/15120 280.0 0.201 0.276 0.197 0.000 0.013 0.000 3/15120 290.0 0.194 0.267 0.191 0.000 0.013 0.000 3/15120 300.0 0.187 0.258 0.184 0.000 0.012 0.000 3/15120 310.0 0.181 0.250 0.179 0.000 0.012 0.000 3/15120 320.0 0.176 0.243 0.173 0.000 0.011 0.000 3/15120 330.0 0.171 0.236 0.168 0.000 0.011 0.000 3/15120 340.0 0.166 0.229 0.163 0.000 0.011 0.000 3/15120 350.0 0.161 0.223 0.159 0.000 0.010 0.000 3/15120 360.0 0.157 0.217 0.154 0.000 0.010 0.000 3/15120 370.0 0.152 0.211 0.150 0.000 0.010 0.000 3/15120 380.0 0.148 0.206 0.146 0.000 0.009 0.000 3/15120 390.0 0.145 0.200 0.143 0.000 0.009 0.000 3/15120 400.0 0.141 0.196 0.139 0.000 0.009 0.000 3/15120 410.0 0.138 0.191 0.136 0.000 0.009 0.000 3/15120 420.0 0.134 0.187 0.133 0.000 0.008 0.000 3/15120 430.0 0.131 0.182 0.129 0.000 0.008 0.000 3/15120 440.0 0.128 0.178 0.127 0.000 0.008 0.000 3/15120 450.0 0.126 0.174 0.124 0.000 0.008 0.000 3/15120 460.0 0.123 0.171 0.121 0.000 0.008 0.000 3/15120 470.0 0.120 0.167 0.119 0.000 0.007 0.000 3/15120 480.0 0.118 0.164 0.116 0.000 0.007 0.000 3/15120 490.0 0.115 0.161 0.114 0.000 0.007 0.000 3/15120 500.0 0.113 0.157 0.112 0.000 0.007 0.000 3/15120 510.0 0.111 0.154 0.109 0.000 0.007 0.000 3/15120 520.0 0.109 0.151 0.107 0.000 0.007 0.000 3/15120 530.0 0.107 0.149 0.105 0.000 0.007 0.000 3/15120 540.0 0.105 0.146 0.103 0.000 0.006 0.000 3/15120 550.0 0.103 0.143 0.102 0.000 0.006 0.000 3/15120 560.0 0.101 0.141 0.100 0.000 0.006 0.000 3/15120 570.0 0.099 0.138 0.098 0.000 0.006 0.000 3/15120 580.0 0.098 0.136 0.096 0.000 0.006 0.000 3/15120 590.0 0.096 0.134 0.095 0.000 0.006 0.000 3/15120 600.0 0.094 0.132 0.093 0.000 0.006 0.000 3/15120 610.0 0.093 0.130 0.092 0.000 0.006 0.000 3/15120 620.0 0.091 0.127 0.090 0.000 0.006 0.000 3/15120 630.0 0.090 0.125 0.089 0.000 0.006 0.000 3/15120 640.0 0.089 0.124 0.087 0.000 0.005 0.000 3/15120 650.0 0.087 0.122 0.086 0.000 0.005 0.000 3/15120 660.0 0.086 0.120 0.085 0.000 0.005 0.000 3/15120 670.0 0.085 0.118 0.084 0.000 0.005 0.000 3/15120 680.0 0.083 0.116 0.082 0.000 0.005 0.000 3/15120 690.0 0.082 0.115 0.081 0.000 0.005 0.000 3/15120 700.0 0.081 0.113 0.080 0.000 0.005 0.000 3/15120 710.0 0.080 0.112 0.079 0.000 0.005 0.000 3/15120 720.0 0.079 0.110 0.078 0.000 0.005 0.000 3/15120 730.0 0.078 0.109 0.077 0.000 0.005 0.000 3/15120 740.0 0.077 0.107 0.076 0.000 0.005 0.000 3/15120 750.0 0.076 0.106 0.075 0.000 0.005 0.000 3/15120 760.0 0.075 0.104 0.074 0.000 0.005 0.000 3/15120 770.0 0.074 0.103 0.073 0.000 0.004 0.000 3/15120 780.0 0.073 0.102 0.072 0.000 0.004 0.000 3/15120 790.0 0.072 0.100 0.071 0.000 0.004 0.000 3/15120 800.0 0.071 0.099 0.070 0.000 0.004 0.000 3/15120 810.0 0.070 0.098 0.069 0.000 0.004 0.000 3/15120 820.0 0.069 0.097 0.068 0.000 0.004 0.000 3/15120 830.0 0.068 0.096 0.068 0.000 0.004 0.000 3/15120 840.0 0.068 0.094 0.067 0.000 0.004 0.000 3/15120 850.0 0.067 0.093 0.066 0.000 0.004 0.000 3/15120 860.0 0.066 0.092 0.065 0.000 0.004 0.000 3/15120 870.0 0.065 0.091 0.064 0.000 0.004 0.000 3/15120 880.0 0.065 0.090 0.064 0.000 0.004 0.000 3/15120 890.0 0.064 0.089 0.063 0.000 0.004 0.000 3/15120 900.0 0.063 0.088 0.062 0.000 0.004 0.000 3/15120 910.0 0.062 0.087 0.062 0.000 0.004 0.000 3/15120 920.0 0.062 0.086 0.061 0.000 0.004 0.000 3/15120 930.0 0.061 0.085 0.060 0.000 0.004 0.000 3/15120 940.0 0.060 0.085 0.060 0.000 0.004 0.000 3/15120 950.0 0.060 0.084 0.059 0.000 0.004 0.000 3/15120 960.0 0.059 0.083 0.058 0.000 0.004 0.000 3/15120 970.0 0.059 0.082 0.058 0.000 0.004 0.000 3/15120 980.0 0.058 0.081 0.057 0.000 0.004 0.000 3/15120 990.0 0.057 0.080 0.057 0.000 0.003 0.000 3/15120 1000.0 0.057 0.079 0.056 0.000 0.003 0.000 3/15120 Thermal conductivity related properties were written into "kappa-m566.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:23:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|