----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:49:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.050649000000000 -7.216585080000000 0.000000000000000 b 3.050649000000000 7.216585080000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.632184750000000 Atomic positions (fractional): *1 F 0.61417794092467 0.80979108738882 0.46051742331195 18.998 2 F 0.80979108738882 0.61417794092467 0.53948257668805 18.998 3 F 0.88582205907533 0.69020891261118 0.96051742331195 18.998 4 F 0.69020891261118 0.88582205907533 0.03948257668805 18.998 5 F 0.38582205907533 0.19020891261118 0.53948257668805 18.998 6 F 0.19020891261118 0.38582205907533 0.46051742331195 18.998 7 F 0.11417794092467 0.30979108738882 0.03948257668805 18.998 8 F 0.30979108738882 0.11417794092467 0.96051742331195 18.998 *9 F 0.47448219535158 0.52551780464842 0.64366022770529 18.998 10 F 0.52551780464842 0.47448219535158 0.35633977229471 18.998 11 F 0.02551780464842 0.97448219535158 0.14366022770529 18.998 12 F 0.97448219535158 0.02551780464842 0.85633977229471 18.998 *13 F 0.75209090823970 0.24790909176030 0.64759415798784 18.998 14 F 0.24790909176030 0.75209090823970 0.35240584201216 18.998 *15 F 0.36228106000903 0.13771893999097 0.75000000000000 18.998 16 F 0.13771893999097 0.36228106000903 0.25000000000000 18.998 17 F 0.63771893999097 0.86228106000903 0.25000000000000 18.998 18 F 0.86228106000903 0.63771893999097 0.75000000000000 18.998 19 F 0.25209090823970 0.74790909176030 0.85240584201216 18.998 20 F 0.74790909176030 0.25209090823970 0.14759415798784 18.998 *21 Mg 0.61915615983528 0.38084384016472 0.65692224008419 24.305 22 Mg 0.38084384016472 0.61915615983528 0.34307775991581 24.305 23 Mg 0.88084384016472 0.11915615983528 0.15692224008420 24.305 24 Mg 0.11915615983528 0.88084384016472 0.84307775991581 24.305 *25 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 26 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 *27 Cs 0.25505628754985 0.74494371245015 0.60703623568006 132.905 28 Cs 0.74494371245015 0.25505628754985 0.39296376431994 132.905 29 Cs 0.24494371245015 0.75505628754985 0.10703623568006 132.905 30 Cs 0.75505628754985 0.24494371245015 0.89296376431994 132.905 *31 Cs 0.95165124192447 0.04834875807554 0.63874584039212 132.905 32 Cs 0.04834875807553 0.95165124192447 0.36125415960788 132.905 33 Cs 0.54834875807553 0.45165124192447 0.13874584039212 132.905 34 Cs 0.45165124192446 0.54834875807553 0.86125415960788 132.905 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.101298000000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.433170160000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.632184750000000 Atomic positions (fractional): *1 F 0.71198451415675 0.09780657323208 0.46051742331195 18.998 > 1 2 F 0.21198451415674 0.40219342676792 0.53948257668805 18.998 > 2 3 F 0.28801548584325 0.40219342676792 0.96051742331195 18.998 > 3 4 F 0.78801548584325 0.09780657323208 0.03948257668805 18.998 > 4 5 F 0.78801548584325 0.40219342676792 0.53948257668805 18.998 > 5 6 F 0.28801548584325 0.09780657323208 0.46051742331195 18.998 > 6 7 F 0.21198451415674 0.09780657323208 0.03948257668805 18.998 > 7 8 F 0.71198451415675 0.40219342676792 0.96051742331195 18.998 > 8 *9 F 0.50000000000000 0.02551780464842 0.64366022770529 18.998 > 9 10 F 0.00000000000000 0.47448219535158 0.35633977229471 18.998 > 10 11 F 0.50000000000000 0.47448219535158 0.14366022770529 18.998 > 11 12 F 0.00000000000000 0.02551780464842 0.85633977229471 18.998 > 12 *13 F 0.00000000000000 0.24790909176030 0.64759415798784 18.998 > 13 14 F 0.50000000000000 0.25209090823970 0.35240584201216 18.998 > 14 *15 F 0.75000000000000 0.38771893999097 0.75000000000000 18.998 > 15 16 F 0.25000000000000 0.11228106000903 0.25000000000000 18.998 > 16 17 F 0.75000000000000 0.11228106000903 0.25000000000000 18.998 > 17 18 F 0.25000000000000 0.38771893999097 0.75000000000000 18.998 > 18 19 F 0.50000000000000 0.24790909176030 0.85240584201216 18.998 > 19 20 F 0.00000000000000 0.25209090823970 0.14759415798784 18.998 > 20 21 F 0.21198451415674 0.59780657323208 0.46051742331195 18.998 > 1 22 F 0.71198451415675 0.90219342676792 0.53948257668805 18.998 > 2 23 F 0.78801548584325 0.90219342676792 0.96051742331195 18.998 > 3 24 F 0.28801548584325 0.59780657323208 0.03948257668805 18.998 > 4 25 F 0.28801548584325 0.90219342676792 0.53948257668805 18.998 > 5 26 F 0.78801548584325 0.59780657323208 0.46051742331195 18.998 > 6 27 F 0.71198451415675 0.59780657323208 0.03948257668805 18.998 > 7 28 F 0.21198451415674 0.90219342676792 0.96051742331195 18.998 > 8 29 F 0.00000000000000 0.52551780464842 0.64366022770529 18.998 > 9 30 F 0.50000000000000 0.97448219535158 0.35633977229471 18.998 > 10 31 F 0.00000000000000 0.97448219535158 0.14366022770529 18.998 > 11 32 F 0.50000000000000 0.52551780464842 0.85633977229471 18.998 > 12 33 F 0.50000000000000 0.74790909176030 0.64759415798784 18.998 > 13 34 F 0.00000000000000 0.75209090823970 0.35240584201216 18.998 > 14 35 F 0.25000000000000 0.88771893999097 0.75000000000000 18.998 > 15 36 F 0.75000000000000 0.61228106000903 0.25000000000000 18.998 > 16 37 F 0.25000000000000 0.61228106000903 0.25000000000000 18.998 > 17 38 F 0.75000000000000 0.88771893999097 0.75000000000000 18.998 > 18 39 F 0.00000000000000 0.74790909176030 0.85240584201216 18.998 > 19 40 F 0.50000000000000 0.75209090823970 0.14759415798784 18.998 > 20 *41 Mg 0.00000000000000 0.38084384016472 0.65692224008419 24.305 > 21 42 Mg 0.50000000000000 0.11915615983528 0.34307775991581 24.305 > 22 43 Mg 0.00000000000000 0.11915615983528 0.15692224008420 24.305 > 23 44 Mg 0.50000000000000 0.38084384016472 0.84307775991581 24.305 > 24 *45 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 > 25 46 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 26 47 Mg 0.50000000000000 0.88084384016472 0.65692224008419 24.305 > 21 48 Mg 0.00000000000000 0.61915615983528 0.34307775991581 24.305 > 22 49 Mg 0.50000000000000 0.61915615983528 0.15692224008420 24.305 > 23 50 Mg 0.00000000000000 0.88084384016472 0.84307775991581 24.305 > 24 51 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 25 52 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 26 *53 Cs 0.50000000000000 0.24494371245015 0.60703623568006 132.905 > 27 54 Cs 0.00000000000000 0.25505628754985 0.39296376431994 132.905 > 28 55 Cs 0.50000000000000 0.25505628754985 0.10703623568006 132.905 > 29 56 Cs 0.00000000000000 0.24494371245015 0.89296376431994 132.905 > 30 *57 Cs 0.00000000000000 0.04834875807554 0.63874584039212 132.905 > 31 58 Cs 0.50000000000000 0.45165124192447 0.36125415960788 132.905 > 32 59 Cs 0.00000000000000 0.45165124192447 0.13874584039212 132.905 > 33 60 Cs 0.50000000000000 0.04834875807554 0.86125415960788 132.905 > 34 61 Cs 0.00000000000000 0.74494371245015 0.60703623568006 132.905 > 27 62 Cs 0.50000000000000 0.75505628754985 0.39296376431994 132.905 > 28 63 Cs 0.00000000000000 0.75505628754985 0.10703623568006 132.905 > 29 64 Cs 0.50000000000000 0.74494371245015 0.89296376431994 132.905 > 30 65 Cs 0.50000000000000 0.54834875807553 0.63874584039212 132.905 > 31 66 Cs 0.00000000000000 0.95165124192447 0.36125415960788 132.905 > 32 67 Cs 0.50000000000000 0.95165124192447 0.13874584039212 132.905 > 33 68 Cs 0.00000000000000 0.54834875807553 0.86125415960788 132.905 > 34 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.202596000000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.433170160000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.632184750000000 Atomic positions (fractional): *1 F 0.35599225707837 0.09780657323208 0.46051742331195 18.998 > 1 2 F 0.85599225707837 0.09780657323208 0.46051742331195 18.998 > 1 3 F 0.10599225707837 0.40219342676792 0.53948257668805 18.998 > 2 4 F 0.60599225707837 0.40219342676792 0.53948257668805 18.998 > 2 5 F 0.14400774292163 0.40219342676792 0.96051742331195 18.998 > 3 6 F 0.64400774292163 0.40219342676792 0.96051742331195 18.998 > 3 7 F 0.39400774292163 0.09780657323208 0.03948257668805 18.998 > 4 8 F 0.89400774292163 0.09780657323208 0.03948257668805 18.998 > 4 9 F 0.39400774292163 0.40219342676792 0.53948257668805 18.998 > 5 10 F 0.89400774292163 0.40219342676792 0.53948257668805 18.998 > 5 11 F 0.14400774292163 0.09780657323208 0.46051742331195 18.998 > 6 12 F 0.64400774292163 0.09780657323208 0.46051742331195 18.998 > 6 13 F 0.10599225707837 0.09780657323208 0.03948257668805 18.998 > 7 14 F 0.60599225707837 0.09780657323208 0.03948257668805 18.998 > 7 15 F 0.35599225707837 0.40219342676792 0.96051742331195 18.998 > 8 16 F 0.85599225707837 0.40219342676792 0.96051742331195 18.998 > 8 *17 F 0.25000000000000 0.02551780464842 0.64366022770529 18.998 > 9 18 F 0.75000000000000 0.02551780464842 0.64366022770529 18.998 > 9 19 F 0.00000000000000 0.47448219535158 0.35633977229471 18.998 > 10 20 F 0.50000000000000 0.47448219535158 0.35633977229471 18.998 > 10 21 F 0.25000000000000 0.47448219535158 0.14366022770529 18.998 > 11 22 F 0.75000000000000 0.47448219535158 0.14366022770529 18.998 > 11 23 F 0.00000000000000 0.02551780464842 0.85633977229471 18.998 > 12 24 F 0.50000000000000 0.02551780464842 0.85633977229471 18.998 > 12 *25 F 0.00000000000000 0.24790909176030 0.64759415798784 18.998 > 13 26 F 0.50000000000000 0.24790909176030 0.64759415798784 18.998 > 13 27 F 0.25000000000000 0.25209090823970 0.35240584201216 18.998 > 14 28 F 0.75000000000000 0.25209090823970 0.35240584201216 18.998 > 14 *29 F 0.37500000000000 0.38771893999097 0.75000000000000 18.998 > 15 30 F 0.87500000000000 0.38771893999097 0.75000000000000 18.998 > 15 31 F 0.12500000000000 0.11228106000903 0.25000000000000 18.998 > 16 32 F 0.62500000000000 0.11228106000903 0.25000000000000 18.998 > 16 33 F 0.37500000000000 0.11228106000903 0.25000000000000 18.998 > 17 34 F 0.87500000000000 0.11228106000903 0.25000000000000 18.998 > 17 35 F 0.12500000000000 0.38771893999097 0.75000000000000 18.998 > 18 36 F 0.62500000000000 0.38771893999097 0.75000000000000 18.998 > 18 37 F 0.25000000000000 0.24790909176030 0.85240584201216 18.998 > 19 38 F 0.75000000000000 0.24790909176030 0.85240584201216 18.998 > 19 39 F 0.00000000000000 0.25209090823970 0.14759415798784 18.998 > 20 40 F 0.50000000000000 0.25209090823970 0.14759415798784 18.998 > 20 41 F 0.10599225707837 0.59780657323208 0.46051742331195 18.998 > 1 42 F 0.60599225707837 0.59780657323208 0.46051742331195 18.998 > 1 43 F 0.35599225707837 0.90219342676792 0.53948257668805 18.998 > 2 44 F 0.85599225707837 0.90219342676792 0.53948257668805 18.998 > 2 45 F 0.39400774292163 0.90219342676792 0.96051742331195 18.998 > 3 46 F 0.89400774292163 0.90219342676792 0.96051742331195 18.998 > 3 47 F 0.14400774292163 0.59780657323208 0.03948257668805 18.998 > 4 48 F 0.64400774292163 0.59780657323208 0.03948257668805 18.998 > 4 49 F 0.14400774292163 0.90219342676792 0.53948257668805 18.998 > 5 50 F 0.64400774292163 0.90219342676792 0.53948257668805 18.998 > 5 51 F 0.39400774292163 0.59780657323208 0.46051742331195 18.998 > 6 52 F 0.89400774292163 0.59780657323208 0.46051742331195 18.998 > 6 53 F 0.35599225707837 0.59780657323208 0.03948257668805 18.998 > 7 54 F 0.85599225707837 0.59780657323208 0.03948257668805 18.998 > 7 55 F 0.10599225707837 0.90219342676792 0.96051742331195 18.998 > 8 56 F 0.60599225707837 0.90219342676792 0.96051742331195 18.998 > 8 57 F 0.00000000000000 0.52551780464842 0.64366022770529 18.998 > 9 58 F 0.50000000000000 0.52551780464842 0.64366022770529 18.998 > 9 59 F 0.25000000000000 0.97448219535158 0.35633977229471 18.998 > 10 60 F 0.75000000000000 0.97448219535158 0.35633977229471 18.998 > 10 61 F 0.00000000000000 0.97448219535158 0.14366022770529 18.998 > 11 62 F 0.50000000000000 0.97448219535158 0.14366022770529 18.998 > 11 63 F 0.25000000000000 0.52551780464842 0.85633977229471 18.998 > 12 64 F 0.75000000000000 0.52551780464842 0.85633977229471 18.998 > 12 65 F 0.25000000000000 0.74790909176030 0.64759415798784 18.998 > 13 66 F 0.75000000000000 0.74790909176030 0.64759415798784 18.998 > 13 67 F 0.00000000000000 0.75209090823970 0.35240584201216 18.998 > 14 68 F 0.50000000000000 0.75209090823970 0.35240584201216 18.998 > 14 69 F 0.12500000000000 0.88771893999097 0.75000000000000 18.998 > 15 70 F 0.62500000000000 0.88771893999097 0.75000000000000 18.998 > 15 71 F 0.37500000000000 0.61228106000903 0.25000000000000 18.998 > 16 72 F 0.87500000000000 0.61228106000903 0.25000000000000 18.998 > 16 73 F 0.12500000000000 0.61228106000903 0.25000000000000 18.998 > 17 74 F 0.62500000000000 0.61228106000903 0.25000000000000 18.998 > 17 75 F 0.37500000000000 0.88771893999097 0.75000000000000 18.998 > 18 76 F 0.87500000000000 0.88771893999097 0.75000000000000 18.998 > 18 77 F 0.00000000000000 0.74790909176030 0.85240584201216 18.998 > 19 78 F 0.50000000000000 0.74790909176030 0.85240584201216 18.998 > 19 79 F 0.25000000000000 0.75209090823970 0.14759415798784 18.998 > 20 80 F 0.75000000000000 0.75209090823970 0.14759415798784 18.998 > 20 *81 Mg 0.00000000000000 0.38084384016472 0.65692224008419 24.305 > 21 82 Mg 0.50000000000000 0.38084384016472 0.65692224008419 24.305 > 21 83 Mg 0.25000000000000 0.11915615983528 0.34307775991581 24.305 > 22 84 Mg 0.75000000000000 0.11915615983528 0.34307775991581 24.305 > 22 85 Mg 0.00000000000000 0.11915615983528 0.15692224008420 24.305 > 23 86 Mg 0.50000000000000 0.11915615983528 0.15692224008420 24.305 > 23 87 Mg 0.25000000000000 0.38084384016472 0.84307775991581 24.305 > 24 88 Mg 0.75000000000000 0.38084384016472 0.84307775991581 24.305 > 24 *89 Mg 0.25000000000000 0.00000000000000 0.50000000000000 24.305 > 25 90 Mg 0.75000000000000 0.00000000000000 0.50000000000000 24.305 > 25 91 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 26 92 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 26 93 Mg 0.25000000000000 0.88084384016472 0.65692224008419 24.305 > 21 94 Mg 0.75000000000000 0.88084384016472 0.65692224008419 24.305 > 21 95 Mg 0.00000000000000 0.61915615983528 0.34307775991581 24.305 > 22 96 Mg 0.50000000000000 0.61915615983528 0.34307775991581 24.305 > 22 97 Mg 0.25000000000000 0.61915615983528 0.15692224008420 24.305 > 23 98 Mg 0.75000000000000 0.61915615983528 0.15692224008420 24.305 > 23 99 Mg 0.00000000000000 0.88084384016472 0.84307775991581 24.305 > 24 100 Mg 0.50000000000000 0.88084384016472 0.84307775991581 24.305 > 24 101 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 25 102 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 25 103 Mg 0.25000000000000 0.50000000000000 0.00000000000000 24.305 > 26 104 Mg 0.75000000000000 0.50000000000000 0.00000000000000 24.305 > 26 *105 Cs 0.25000000000000 0.24494371245015 0.60703623568006 132.905 > 27 106 Cs 0.75000000000000 0.24494371245015 0.60703623568006 132.905 > 27 107 Cs 0.00000000000000 0.25505628754985 0.39296376431994 132.905 > 28 108 Cs 0.50000000000000 0.25505628754985 0.39296376431994 132.905 > 28 109 Cs 0.25000000000000 0.25505628754985 0.10703623568006 132.905 > 29 110 Cs 0.75000000000000 0.25505628754985 0.10703623568006 132.905 > 29 111 Cs 0.00000000000000 0.24494371245015 0.89296376431994 132.905 > 30 112 Cs 0.50000000000000 0.24494371245015 0.89296376431994 132.905 > 30 *113 Cs 0.00000000000000 0.04834875807554 0.63874584039212 132.905 > 31 114 Cs 0.50000000000000 0.04834875807554 0.63874584039212 132.905 > 31 115 Cs 0.25000000000000 0.45165124192447 0.36125415960788 132.905 > 32 116 Cs 0.75000000000000 0.45165124192447 0.36125415960788 132.905 > 32 117 Cs 0.00000000000000 0.45165124192447 0.13874584039212 132.905 > 33 118 Cs 0.50000000000000 0.45165124192447 0.13874584039212 132.905 > 33 119 Cs 0.25000000000000 0.04834875807554 0.86125415960788 132.905 > 34 120 Cs 0.75000000000000 0.04834875807554 0.86125415960788 132.905 > 34 121 Cs 0.00000000000000 0.74494371245015 0.60703623568006 132.905 > 27 122 Cs 0.50000000000000 0.74494371245015 0.60703623568006 132.905 > 27 123 Cs 0.25000000000000 0.75505628754985 0.39296376431994 132.905 > 28 124 Cs 0.75000000000000 0.75505628754985 0.39296376431994 132.905 > 28 125 Cs 0.00000000000000 0.75505628754985 0.10703623568006 132.905 > 29 126 Cs 0.50000000000000 0.75505628754985 0.10703623568006 132.905 > 29 127 Cs 0.25000000000000 0.74494371245015 0.89296376431994 132.905 > 30 128 Cs 0.75000000000000 0.74494371245015 0.89296376431994 132.905 > 30 129 Cs 0.25000000000000 0.54834875807553 0.63874584039212 132.905 > 31 130 Cs 0.75000000000000 0.54834875807553 0.63874584039212 132.905 > 31 131 Cs 0.00000000000000 0.95165124192447 0.36125415960788 132.905 > 32 132 Cs 0.50000000000000 0.95165124192447 0.36125415960788 132.905 > 32 133 Cs 0.25000000000000 0.95165124192447 0.13874584039212 132.905 > 33 134 Cs 0.75000000000000 0.95165124192447 0.13874584039212 132.905 > 33 135 Cs 0.00000000000000 0.54834875807553 0.86125415960788 132.905 > 34 136 Cs 0.50000000000000 0.54834875807553 0.86125415960788 132.905 > 34 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3191477 0.0000000 0.0000000 0.0000000 2.3008111 0.0000000 0.0000000 0.0000000 2.2897778 -------------------------- Born effective charges -------------------------- 1 F -1.1564299 -0.0379752 -0.0375900 -0.0350869 -1.1447418 0.0464384 -0.0353777 0.0352004 -1.1124281 2 F -1.1564299 0.0379752 0.0375900 0.0350869 -1.1447418 0.0464384 0.0353777 0.0352004 -1.1124281 3 F -1.1564299 -0.0379752 0.0375900 -0.0350869 -1.1447418 -0.0464384 0.0353777 -0.0352004 -1.1124281 4 F -1.1564299 0.0379752 -0.0375900 0.0350869 -1.1447418 -0.0464384 -0.0353777 -0.0352004 -1.1124281 5 F -1.1564299 -0.0379752 -0.0375900 -0.0350869 -1.1447418 0.0464384 -0.0353777 0.0352004 -1.1124281 6 F -1.1564299 0.0379752 0.0375900 0.0350869 -1.1447418 0.0464384 0.0353777 0.0352004 -1.1124281 7 F -1.1564299 -0.0379752 0.0375900 -0.0350869 -1.1447418 -0.0464384 0.0353777 -0.0352004 -1.1124281 8 F -1.1564299 0.0379752 -0.0375900 0.0350869 -1.1447418 -0.0464384 -0.0353777 -0.0352004 -1.1124281 9 F -1.1156648 0.0000000 0.0000000 0.0000000 -1.1166934 -0.0150428 0.0000000 -0.0233597 -1.1991430 10 F -1.1156648 0.0000000 0.0000000 0.0000000 -1.1166934 -0.0150428 0.0000000 -0.0233597 -1.1991430 11 F -1.1156648 0.0000000 0.0000000 0.0000000 -1.1166934 0.0150428 0.0000000 0.0233597 -1.1991430 12 F -1.1156648 0.0000000 0.0000000 0.0000000 -1.1166934 0.0150428 0.0000000 0.0233597 -1.1991430 13 F -1.1629542 0.0000000 0.0000000 0.0000000 -1.3258588 -0.0215919 0.0000000 -0.0238103 -1.0190334 14 F -1.1629542 0.0000000 0.0000000 0.0000000 -1.3258588 -0.0215919 0.0000000 -0.0238103 -1.0190334 15 F -1.1867124 0.0000000 0.1062697 0.0000000 -1.0219502 0.0000000 0.1173637 0.0000000 -1.1589532 16 F -1.1867124 0.0000000 -0.1062697 0.0000000 -1.0219502 0.0000000 -0.1173637 0.0000000 -1.1589532 17 F -1.1867124 0.0000000 0.1062697 0.0000000 -1.0219502 0.0000000 0.1173637 0.0000000 -1.1589532 18 F -1.1867124 0.0000000 -0.1062697 0.0000000 -1.0219502 0.0000000 -0.1173637 0.0000000 -1.1589532 19 F -1.1629542 0.0000000 0.0000000 0.0000000 -1.3258588 0.0215919 0.0000000 0.0238103 -1.0190334 20 F -1.1629542 0.0000000 0.0000000 0.0000000 -1.3258588 0.0215919 0.0000000 0.0238103 -1.0190334 21 Mg 2.0332294 0.0000000 0.0000000 0.0000000 1.9987441 -0.0358177 0.0000000 -0.0209699 2.0333821 22 Mg 2.0332294 0.0000000 0.0000000 0.0000000 1.9987441 -0.0358177 0.0000000 -0.0209699 2.0333821 23 Mg 2.0332294 0.0000000 0.0000000 0.0000000 1.9987441 0.0358177 0.0000000 0.0209699 2.0333821 24 Mg 2.0332294 0.0000000 0.0000000 0.0000000 1.9987441 0.0358177 0.0000000 0.0209699 2.0333821 25 Mg 1.9743507 0.0000000 0.0000000 0.0000000 1.9375047 -0.0821356 0.0000000 -0.0578502 1.9932319 26 Mg 1.9743507 0.0000000 0.0000000 0.0000000 1.9375047 0.0821356 0.0000000 0.0578502 1.9932319 27 Cs 1.3958219 0.0000000 0.0000000 0.0000000 1.3923179 0.0801425 0.0000000 0.0811060 1.2495755 28 Cs 1.3958219 0.0000000 0.0000000 0.0000000 1.3923179 0.0801425 0.0000000 0.0811060 1.2495755 29 Cs 1.3958219 0.0000000 0.0000000 0.0000000 1.3923179 -0.0801425 0.0000000 -0.0811060 1.2495755 30 Cs 1.3958219 0.0000000 0.0000000 0.0000000 1.3923179 -0.0801425 0.0000000 -0.0811060 1.2495755 31 Cs 1.3619644 0.0000000 0.0000000 0.0000000 1.3941717 -0.0755056 0.0000000 -0.0735032 1.3224122 32 Cs 1.3619644 0.0000000 0.0000000 0.0000000 1.3941717 -0.0755056 0.0000000 -0.0735032 1.3224122 33 Cs 1.3619644 0.0000000 0.0000000 0.0000000 1.3941717 0.0755056 0.0000000 0.0735032 1.3224122 34 Cs 1.3619644 0.0000000 0.0000000 0.0000000 1.3941717 0.0755056 0.0000000 0.0735032 1.3224122 ---------------------------------------------------------------------------- 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: 408/408 Permutation basis: 25410/25410 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2822 Number of blocks in projector: 2822 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: 698 Use submatrix version of eigh solver. (1) Block: 500 / 698 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 698 / 698 (1) 186 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: 460 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 452 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 404 Use standard eigh solver. Tree of FC basis block matrices: - (2822, 2778), data: False |-- (404, 396), data: True |-- (404, 396), data: True |-- (404, 396), data: True |-- (452, 450), data: True |-- (460, 456), data: True |-- (698, 684), data: False |-- (698, 12), data: (698, 26) @ (26, 12) |-- (198, 186), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 136 / 136 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 560 - Time: 0.950 Solver_block: 200 / 560 - Time: 1.604 Solver_block: 300 / 560 - Time: 2.261 Solver_block: 400 / 560 - Time: 2.720 Solver_block: 500 / 560 - Time: 2.106 Solver_block: 560 / 560 - Time: 1.274 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 11.244 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 408/408 Permutation basis: 25410/25410 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2822 Number of blocks in projector: 2822 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: 698 Use submatrix version of eigh solver. (1) Block: 500 / 698 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 698 / 698 (1) 186 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: 460 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 452 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 404 Use standard eigh solver. Tree of FC basis block matrices: - (2822, 2778), data: False |-- (404, 396), data: True |-- (404, 396), data: True |-- (404, 396), data: True |-- (452, 450), data: True |-- (460, 456), data: True |-- (698, 684), data: False |-- (698, 12), data: (698, 26) @ (26, 12) |-- (198, 186), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:50:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:50:16]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.050649000000000 -7.216585080000000 0.000000000000000 b 3.050649000000000 7.216585080000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.632184750000000 Atomic positions (fractional): 1 F 0.61417794092467 0.80979108738882 0.46051742331195 18.998 2 F 0.80979108738882 0.61417794092467 0.53948257668805 18.998 3 F 0.88582205907533 0.69020891261118 0.96051742331195 18.998 4 F 0.69020891261118 0.88582205907533 0.03948257668805 18.998 5 F 0.38582205907533 0.19020891261118 0.53948257668805 18.998 6 F 0.19020891261118 0.38582205907533 0.46051742331195 18.998 7 F 0.11417794092467 0.30979108738882 0.03948257668805 18.998 8 F 0.30979108738882 0.11417794092467 0.96051742331195 18.998 9 F 0.47448219535158 0.52551780464842 0.64366022770529 18.998 10 F 0.52551780464842 0.47448219535158 0.35633977229471 18.998 11 F 0.02551780464842 0.97448219535158 0.14366022770529 18.998 12 F 0.97448219535158 0.02551780464842 0.85633977229471 18.998 13 F 0.75209090823970 0.24790909176030 0.64759415798784 18.998 14 F 0.24790909176030 0.75209090823970 0.35240584201216 18.998 15 F 0.36228106000903 0.13771893999097 0.75000000000000 18.998 16 F 0.13771893999097 0.36228106000903 0.25000000000000 18.998 17 F 0.63771893999097 0.86228106000903 0.25000000000000 18.998 18 F 0.86228106000903 0.63771893999097 0.75000000000000 18.998 19 F 0.25209090823970 0.74790909176030 0.85240584201216 18.998 20 F 0.74790909176030 0.25209090823970 0.14759415798784 18.998 21 Mg 0.61915615983528 0.38084384016472 0.65692224008419 24.305 22 Mg 0.38084384016472 0.61915615983528 0.34307775991581 24.305 23 Mg 0.88084384016472 0.11915615983528 0.15692224008420 24.305 24 Mg 0.11915615983528 0.88084384016472 0.84307775991581 24.305 25 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 26 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 27 Cs 0.25505628754985 0.74494371245015 0.60703623568006 132.905 28 Cs 0.74494371245015 0.25505628754985 0.39296376431994 132.905 29 Cs 0.24494371245015 0.75505628754985 0.10703623568006 132.905 30 Cs 0.75505628754985 0.24494371245015 0.89296376431994 132.905 31 Cs 0.95165124192447 0.04834875807554 0.63874584039212 132.905 32 Cs 0.04834875807553 0.95165124192447 0.36125415960788 132.905 33 Cs 0.54834875807553 0.45165124192447 0.13874584039212 132.905 34 Cs 0.45165124192446 0.54834875807553 0.86125415960788 132.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.202596000000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.433170160000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.632184750000000 Atomic positions (fractional): 1 F 0.35599225707837 0.09780657323208 0.46051742331195 18.998 > 1 2 F 0.85599225707837 0.09780657323208 0.46051742331195 18.998 > 1 3 F 0.10599225707837 0.40219342676792 0.53948257668805 18.998 > 3 4 F 0.60599225707837 0.40219342676792 0.53948257668805 18.998 > 3 5 F 0.14400774292163 0.40219342676792 0.96051742331195 18.998 > 5 6 F 0.64400774292163 0.40219342676792 0.96051742331195 18.998 > 5 7 F 0.39400774292163 0.09780657323208 0.03948257668805 18.998 > 7 8 F 0.89400774292163 0.09780657323208 0.03948257668805 18.998 > 7 9 F 0.39400774292163 0.40219342676792 0.53948257668805 18.998 > 9 10 F 0.89400774292163 0.40219342676792 0.53948257668805 18.998 > 9 11 F 0.14400774292163 0.09780657323208 0.46051742331195 18.998 > 11 12 F 0.64400774292163 0.09780657323208 0.46051742331195 18.998 > 11 13 F 0.10599225707837 0.09780657323208 0.03948257668805 18.998 > 13 14 F 0.60599225707837 0.09780657323208 0.03948257668805 18.998 > 13 15 F 0.35599225707837 0.40219342676792 0.96051742331195 18.998 > 15 16 F 0.85599225707837 0.40219342676792 0.96051742331195 18.998 > 15 17 F 0.25000000000000 0.02551780464842 0.64366022770529 18.998 > 17 18 F 0.75000000000000 0.02551780464842 0.64366022770529 18.998 > 17 19 F 0.00000000000000 0.47448219535158 0.35633977229471 18.998 > 19 20 F 0.50000000000000 0.47448219535158 0.35633977229471 18.998 > 19 21 F 0.25000000000000 0.47448219535158 0.14366022770529 18.998 > 21 22 F 0.75000000000000 0.47448219535158 0.14366022770529 18.998 > 21 23 F 0.00000000000000 0.02551780464842 0.85633977229471 18.998 > 23 24 F 0.50000000000000 0.02551780464842 0.85633977229471 18.998 > 23 25 F 0.00000000000000 0.24790909176030 0.64759415798784 18.998 > 25 26 F 0.50000000000000 0.24790909176030 0.64759415798784 18.998 > 25 27 F 0.25000000000000 0.25209090823970 0.35240584201216 18.998 > 27 28 F 0.75000000000000 0.25209090823970 0.35240584201216 18.998 > 27 29 F 0.37500000000000 0.38771893999097 0.75000000000000 18.998 > 29 30 F 0.87500000000000 0.38771893999097 0.75000000000000 18.998 > 29 31 F 0.12500000000000 0.11228106000903 0.25000000000000 18.998 > 31 32 F 0.62500000000000 0.11228106000903 0.25000000000000 18.998 > 31 33 F 0.37500000000000 0.11228106000903 0.25000000000000 18.998 > 33 34 F 0.87500000000000 0.11228106000903 0.25000000000000 18.998 > 33 35 F 0.12500000000000 0.38771893999097 0.75000000000000 18.998 > 35 36 F 0.62500000000000 0.38771893999097 0.75000000000000 18.998 > 35 37 F 0.25000000000000 0.24790909176030 0.85240584201216 18.998 > 37 38 F 0.75000000000000 0.24790909176030 0.85240584201216 18.998 > 37 39 F 0.00000000000000 0.25209090823970 0.14759415798784 18.998 > 39 40 F 0.50000000000000 0.25209090823970 0.14759415798784 18.998 > 39 41 F 0.10599225707837 0.59780657323208 0.46051742331195 18.998 > 1 42 F 0.60599225707837 0.59780657323208 0.46051742331195 18.998 > 1 43 F 0.35599225707837 0.90219342676792 0.53948257668805 18.998 > 3 44 F 0.85599225707837 0.90219342676792 0.53948257668805 18.998 > 3 45 F 0.39400774292163 0.90219342676792 0.96051742331195 18.998 > 5 46 F 0.89400774292163 0.90219342676792 0.96051742331195 18.998 > 5 47 F 0.14400774292163 0.59780657323208 0.03948257668805 18.998 > 7 48 F 0.64400774292163 0.59780657323208 0.03948257668805 18.998 > 7 49 F 0.14400774292163 0.90219342676792 0.53948257668805 18.998 > 9 50 F 0.64400774292163 0.90219342676792 0.53948257668805 18.998 > 9 51 F 0.39400774292163 0.59780657323208 0.46051742331195 18.998 > 11 52 F 0.89400774292163 0.59780657323208 0.46051742331195 18.998 > 11 53 F 0.35599225707837 0.59780657323208 0.03948257668805 18.998 > 13 54 F 0.85599225707837 0.59780657323208 0.03948257668805 18.998 > 13 55 F 0.10599225707837 0.90219342676792 0.96051742331195 18.998 > 15 56 F 0.60599225707837 0.90219342676792 0.96051742331195 18.998 > 15 57 F 0.00000000000000 0.52551780464842 0.64366022770529 18.998 > 17 58 F 0.50000000000000 0.52551780464842 0.64366022770529 18.998 > 17 59 F 0.25000000000000 0.97448219535158 0.35633977229471 18.998 > 19 60 F 0.75000000000000 0.97448219535158 0.35633977229471 18.998 > 19 61 F 0.00000000000000 0.97448219535158 0.14366022770529 18.998 > 21 62 F 0.50000000000000 0.97448219535158 0.14366022770529 18.998 > 21 63 F 0.25000000000000 0.52551780464842 0.85633977229471 18.998 > 23 64 F 0.75000000000000 0.52551780464842 0.85633977229471 18.998 > 23 65 F 0.25000000000000 0.74790909176030 0.64759415798784 18.998 > 25 66 F 0.75000000000000 0.74790909176030 0.64759415798784 18.998 > 25 67 F 0.00000000000000 0.75209090823970 0.35240584201216 18.998 > 27 68 F 0.50000000000000 0.75209090823970 0.35240584201216 18.998 > 27 69 F 0.12500000000000 0.88771893999097 0.75000000000000 18.998 > 29 70 F 0.62500000000000 0.88771893999097 0.75000000000000 18.998 > 29 71 F 0.37500000000000 0.61228106000903 0.25000000000000 18.998 > 31 72 F 0.87500000000000 0.61228106000903 0.25000000000000 18.998 > 31 73 F 0.12500000000000 0.61228106000903 0.25000000000000 18.998 > 33 74 F 0.62500000000000 0.61228106000903 0.25000000000000 18.998 > 33 75 F 0.37500000000000 0.88771893999097 0.75000000000000 18.998 > 35 76 F 0.87500000000000 0.88771893999097 0.75000000000000 18.998 > 35 77 F 0.00000000000000 0.74790909176030 0.85240584201216 18.998 > 37 78 F 0.50000000000000 0.74790909176030 0.85240584201216 18.998 > 37 79 F 0.25000000000000 0.75209090823970 0.14759415798784 18.998 > 39 80 F 0.75000000000000 0.75209090823970 0.14759415798784 18.998 > 39 81 Mg 0.00000000000000 0.38084384016472 0.65692224008419 24.305 > 81 82 Mg 0.50000000000000 0.38084384016472 0.65692224008419 24.305 > 81 83 Mg 0.25000000000000 0.11915615983528 0.34307775991581 24.305 > 83 84 Mg 0.75000000000000 0.11915615983528 0.34307775991581 24.305 > 83 85 Mg 0.00000000000000 0.11915615983528 0.15692224008420 24.305 > 85 86 Mg 0.50000000000000 0.11915615983528 0.15692224008420 24.305 > 85 87 Mg 0.25000000000000 0.38084384016472 0.84307775991581 24.305 > 87 88 Mg 0.75000000000000 0.38084384016472 0.84307775991581 24.305 > 87 89 Mg 0.25000000000000 0.00000000000000 0.50000000000000 24.305 > 89 90 Mg 0.75000000000000 0.00000000000000 0.50000000000000 24.305 > 89 91 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 91 92 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 91 93 Mg 0.25000000000000 0.88084384016472 0.65692224008419 24.305 > 81 94 Mg 0.75000000000000 0.88084384016472 0.65692224008419 24.305 > 81 95 Mg 0.00000000000000 0.61915615983528 0.34307775991581 24.305 > 83 96 Mg 0.50000000000000 0.61915615983528 0.34307775991581 24.305 > 83 97 Mg 0.25000000000000 0.61915615983528 0.15692224008420 24.305 > 85 98 Mg 0.75000000000000 0.61915615983528 0.15692224008420 24.305 > 85 99 Mg 0.00000000000000 0.88084384016472 0.84307775991581 24.305 > 87 100 Mg 0.50000000000000 0.88084384016472 0.84307775991581 24.305 > 87 101 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 89 102 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 89 103 Mg 0.25000000000000 0.50000000000000 0.00000000000000 24.305 > 91 104 Mg 0.75000000000000 0.50000000000000 0.00000000000000 24.305 > 91 105 Cs 0.25000000000000 0.24494371245015 0.60703623568006 132.905 > 105 106 Cs 0.75000000000000 0.24494371245015 0.60703623568006 132.905 > 105 107 Cs 0.00000000000000 0.25505628754985 0.39296376431994 132.905 > 107 108 Cs 0.50000000000000 0.25505628754985 0.39296376431994 132.905 > 107 109 Cs 0.25000000000000 0.25505628754985 0.10703623568006 132.905 > 109 110 Cs 0.75000000000000 0.25505628754985 0.10703623568006 132.905 > 109 111 Cs 0.00000000000000 0.24494371245015 0.89296376431994 132.905 > 111 112 Cs 0.50000000000000 0.24494371245015 0.89296376431994 132.905 > 111 113 Cs 0.00000000000000 0.04834875807554 0.63874584039212 132.905 > 113 114 Cs 0.50000000000000 0.04834875807554 0.63874584039212 132.905 > 113 115 Cs 0.25000000000000 0.45165124192447 0.36125415960788 132.905 > 115 116 Cs 0.75000000000000 0.45165124192447 0.36125415960788 132.905 > 115 117 Cs 0.00000000000000 0.45165124192447 0.13874584039212 132.905 > 117 118 Cs 0.50000000000000 0.45165124192447 0.13874584039212 132.905 > 117 119 Cs 0.25000000000000 0.04834875807554 0.86125415960788 132.905 > 119 120 Cs 0.75000000000000 0.04834875807554 0.86125415960788 132.905 > 119 121 Cs 0.00000000000000 0.74494371245015 0.60703623568006 132.905 > 105 122 Cs 0.50000000000000 0.74494371245015 0.60703623568006 132.905 > 105 123 Cs 0.25000000000000 0.75505628754985 0.39296376431994 132.905 > 107 124 Cs 0.75000000000000 0.75505628754985 0.39296376431994 132.905 > 107 125 Cs 0.00000000000000 0.75505628754985 0.10703623568006 132.905 > 109 126 Cs 0.50000000000000 0.75505628754985 0.10703623568006 132.905 > 109 127 Cs 0.25000000000000 0.74494371245015 0.89296376431994 132.905 > 111 128 Cs 0.75000000000000 0.74494371245015 0.89296376431994 132.905 > 111 129 Cs 0.25000000000000 0.54834875807553 0.63874584039212 132.905 > 113 130 Cs 0.75000000000000 0.54834875807553 0.63874584039212 132.905 > 113 131 Cs 0.00000000000000 0.95165124192447 0.36125415960788 132.905 > 115 132 Cs 0.50000000000000 0.95165124192447 0.36125415960788 132.905 > 115 133 Cs 0.25000000000000 0.95165124192447 0.13874584039212 132.905 > 117 134 Cs 0.75000000000000 0.95165124192447 0.13874584039212 132.905 > 117 135 Cs 0.00000000000000 0.54834875807553 0.86125415960788 132.905 > 119 136 Cs 0.50000000000000 0.54834875807553 0.86125415960788 132.905 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3191477 0.0000000 0.0000000 0.0000000 2.3008111 0.0000000 0.0000000 0.0000000 2.2897778 -------------------------- Born effective charges -------------------------- 1 F -1.1564299 -0.0379752 -0.0375900 -0.0350869 -1.1447418 0.0464384 -0.0353777 0.0352004 -1.1124281 2 F -1.1564299 0.0379752 0.0375900 0.0350869 -1.1447418 0.0464384 0.0353777 0.0352004 -1.1124281 3 F -1.1564299 -0.0379752 0.0375900 -0.0350869 -1.1447418 -0.0464384 0.0353777 -0.0352004 -1.1124281 4 F -1.1564299 0.0379752 -0.0375900 0.0350869 -1.1447418 -0.0464384 -0.0353777 -0.0352004 -1.1124281 5 F -1.1564299 -0.0379752 -0.0375900 -0.0350869 -1.1447418 0.0464384 -0.0353777 0.0352004 -1.1124281 6 F -1.1564299 0.0379752 0.0375900 0.0350869 -1.1447418 0.0464384 0.0353777 0.0352004 -1.1124281 7 F -1.1564299 -0.0379752 0.0375900 -0.0350869 -1.1447418 -0.0464384 0.0353777 -0.0352004 -1.1124281 8 F -1.1564299 0.0379752 -0.0375900 0.0350869 -1.1447418 -0.0464384 -0.0353777 -0.0352004 -1.1124281 9 F -1.1156648 0.0000000 0.0000000 0.0000000 -1.1166934 -0.0150428 0.0000000 -0.0233597 -1.1991430 10 F -1.1156648 0.0000000 0.0000000 0.0000000 -1.1166934 -0.0150428 0.0000000 -0.0233597 -1.1991430 11 F -1.1156648 0.0000000 0.0000000 0.0000000 -1.1166934 0.0150428 0.0000000 0.0233597 -1.1991430 12 F -1.1156648 0.0000000 0.0000000 0.0000000 -1.1166934 0.0150428 0.0000000 0.0233597 -1.1991430 13 F -1.1629542 0.0000000 0.0000000 0.0000000 -1.3258588 -0.0215919 0.0000000 -0.0238103 -1.0190334 14 F -1.1629542 0.0000000 0.0000000 0.0000000 -1.3258588 -0.0215919 0.0000000 -0.0238103 -1.0190334 15 F -1.1867124 0.0000000 0.1062697 0.0000000 -1.0219502 0.0000000 0.1173637 0.0000000 -1.1589532 16 F -1.1867124 0.0000000 -0.1062697 0.0000000 -1.0219502 0.0000000 -0.1173637 0.0000000 -1.1589532 17 F -1.1867124 0.0000000 0.1062697 0.0000000 -1.0219502 0.0000000 0.1173637 0.0000000 -1.1589532 18 F -1.1867124 0.0000000 -0.1062697 0.0000000 -1.0219502 0.0000000 -0.1173637 0.0000000 -1.1589532 19 F -1.1629542 0.0000000 0.0000000 0.0000000 -1.3258588 0.0215919 0.0000000 0.0238103 -1.0190334 20 F -1.1629542 0.0000000 0.0000000 0.0000000 -1.3258588 0.0215919 0.0000000 0.0238103 -1.0190334 21 Mg 2.0332294 0.0000000 0.0000000 0.0000000 1.9987441 -0.0358177 0.0000000 -0.0209699 2.0333821 22 Mg 2.0332294 0.0000000 0.0000000 0.0000000 1.9987441 -0.0358177 0.0000000 -0.0209699 2.0333821 23 Mg 2.0332294 0.0000000 0.0000000 0.0000000 1.9987441 0.0358177 0.0000000 0.0209699 2.0333821 24 Mg 2.0332294 0.0000000 0.0000000 0.0000000 1.9987441 0.0358177 0.0000000 0.0209699 2.0333821 25 Mg 1.9743507 0.0000000 0.0000000 0.0000000 1.9375047 -0.0821356 0.0000000 -0.0578502 1.9932319 26 Mg 1.9743507 0.0000000 0.0000000 0.0000000 1.9375047 0.0821356 0.0000000 0.0578502 1.9932319 27 Cs 1.3958219 0.0000000 0.0000000 0.0000000 1.3923179 0.0801425 0.0000000 0.0811060 1.2495755 28 Cs 1.3958219 0.0000000 0.0000000 0.0000000 1.3923179 0.0801425 0.0000000 0.0811060 1.2495755 29 Cs 1.3958219 0.0000000 0.0000000 0.0000000 1.3923179 -0.0801425 0.0000000 -0.0811060 1.2495755 30 Cs 1.3958219 0.0000000 0.0000000 0.0000000 1.3923179 -0.0801425 0.0000000 -0.0811060 1.2495755 31 Cs 1.3619644 0.0000000 0.0000000 0.0000000 1.3941717 -0.0755056 0.0000000 -0.0735032 1.3224122 32 Cs 1.3619644 0.0000000 0.0000000 0.0000000 1.3941717 -0.0755056 0.0000000 -0.0735032 1.3224122 33 Cs 1.3619644 0.0000000 0.0000000 0.0000000 1.3941717 0.0755056 0.0000000 0.0735032 1.3224122 34 Cs 1.3619644 0.0000000 0.0000000 0.0000000 1.3941717 0.0755056 0.0000000 0.0735032 1.3224122 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 29, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 105, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:50:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:50:57]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.050649000000000 -7.216585080000000 0.000000000000000 b 3.050649000000000 7.216585080000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.632184750000000 Atomic positions (fractional): 1 F 0.61417794092467 0.80979108738882 0.46051742331195 18.998 2 F 0.80979108738882 0.61417794092467 0.53948257668805 18.998 3 F 0.88582205907533 0.69020891261118 0.96051742331195 18.998 4 F 0.69020891261118 0.88582205907533 0.03948257668805 18.998 5 F 0.38582205907533 0.19020891261118 0.53948257668805 18.998 6 F 0.19020891261118 0.38582205907533 0.46051742331195 18.998 7 F 0.11417794092467 0.30979108738882 0.03948257668805 18.998 8 F 0.30979108738882 0.11417794092467 0.96051742331195 18.998 9 F 0.47448219535158 0.52551780464842 0.64366022770529 18.998 10 F 0.52551780464842 0.47448219535158 0.35633977229471 18.998 11 F 0.02551780464842 0.97448219535158 0.14366022770529 18.998 12 F 0.97448219535158 0.02551780464842 0.85633977229471 18.998 13 F 0.75209090823970 0.24790909176030 0.64759415798784 18.998 14 F 0.24790909176030 0.75209090823970 0.35240584201216 18.998 15 F 0.36228106000903 0.13771893999097 0.75000000000000 18.998 16 F 0.13771893999097 0.36228106000903 0.25000000000000 18.998 17 F 0.63771893999097 0.86228106000903 0.25000000000000 18.998 18 F 0.86228106000903 0.63771893999097 0.75000000000000 18.998 19 F 0.25209090823970 0.74790909176030 0.85240584201216 18.998 20 F 0.74790909176030 0.25209090823970 0.14759415798784 18.998 21 Mg 0.61915615983528 0.38084384016472 0.65692224008419 24.305 22 Mg 0.38084384016472 0.61915615983528 0.34307775991581 24.305 23 Mg 0.88084384016472 0.11915615983528 0.15692224008420 24.305 24 Mg 0.11915615983528 0.88084384016472 0.84307775991581 24.305 25 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 26 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 27 Cs 0.25505628754985 0.74494371245015 0.60703623568006 132.905 28 Cs 0.74494371245015 0.25505628754985 0.39296376431994 132.905 29 Cs 0.24494371245015 0.75505628754985 0.10703623568006 132.905 30 Cs 0.75505628754985 0.24494371245015 0.89296376431994 132.905 31 Cs 0.95165124192447 0.04834875807554 0.63874584039212 132.905 32 Cs 0.04834875807553 0.95165124192447 0.36125415960788 132.905 33 Cs 0.54834875807553 0.45165124192447 0.13874584039212 132.905 34 Cs 0.45165124192446 0.54834875807553 0.86125415960788 132.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.202596000000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.433170160000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.632184750000000 Atomic positions (fractional): 1 F 0.35599225707837 0.09780657323208 0.46051742331195 18.998 > 1 2 F 0.85599225707837 0.09780657323208 0.46051742331195 18.998 > 1 3 F 0.10599225707837 0.40219342676792 0.53948257668805 18.998 > 3 4 F 0.60599225707837 0.40219342676792 0.53948257668805 18.998 > 3 5 F 0.14400774292163 0.40219342676792 0.96051742331195 18.998 > 5 6 F 0.64400774292163 0.40219342676792 0.96051742331195 18.998 > 5 7 F 0.39400774292163 0.09780657323208 0.03948257668805 18.998 > 7 8 F 0.89400774292163 0.09780657323208 0.03948257668805 18.998 > 7 9 F 0.39400774292163 0.40219342676792 0.53948257668805 18.998 > 9 10 F 0.89400774292163 0.40219342676792 0.53948257668805 18.998 > 9 11 F 0.14400774292163 0.09780657323208 0.46051742331195 18.998 > 11 12 F 0.64400774292163 0.09780657323208 0.46051742331195 18.998 > 11 13 F 0.10599225707837 0.09780657323208 0.03948257668805 18.998 > 13 14 F 0.60599225707837 0.09780657323208 0.03948257668805 18.998 > 13 15 F 0.35599225707837 0.40219342676792 0.96051742331195 18.998 > 15 16 F 0.85599225707837 0.40219342676792 0.96051742331195 18.998 > 15 17 F 0.25000000000000 0.02551780464842 0.64366022770529 18.998 > 17 18 F 0.75000000000000 0.02551780464842 0.64366022770529 18.998 > 17 19 F 0.00000000000000 0.47448219535158 0.35633977229471 18.998 > 19 20 F 0.50000000000000 0.47448219535158 0.35633977229471 18.998 > 19 21 F 0.25000000000000 0.47448219535158 0.14366022770529 18.998 > 21 22 F 0.75000000000000 0.47448219535158 0.14366022770529 18.998 > 21 23 F 0.00000000000000 0.02551780464842 0.85633977229471 18.998 > 23 24 F 0.50000000000000 0.02551780464842 0.85633977229471 18.998 > 23 25 F 0.00000000000000 0.24790909176030 0.64759415798784 18.998 > 25 26 F 0.50000000000000 0.24790909176030 0.64759415798784 18.998 > 25 27 F 0.25000000000000 0.25209090823970 0.35240584201216 18.998 > 27 28 F 0.75000000000000 0.25209090823970 0.35240584201216 18.998 > 27 29 F 0.37500000000000 0.38771893999097 0.75000000000000 18.998 > 29 30 F 0.87500000000000 0.38771893999097 0.75000000000000 18.998 > 29 31 F 0.12500000000000 0.11228106000903 0.25000000000000 18.998 > 31 32 F 0.62500000000000 0.11228106000903 0.25000000000000 18.998 > 31 33 F 0.37500000000000 0.11228106000903 0.25000000000000 18.998 > 33 34 F 0.87500000000000 0.11228106000903 0.25000000000000 18.998 > 33 35 F 0.12500000000000 0.38771893999097 0.75000000000000 18.998 > 35 36 F 0.62500000000000 0.38771893999097 0.75000000000000 18.998 > 35 37 F 0.25000000000000 0.24790909176030 0.85240584201216 18.998 > 37 38 F 0.75000000000000 0.24790909176030 0.85240584201216 18.998 > 37 39 F 0.00000000000000 0.25209090823970 0.14759415798784 18.998 > 39 40 F 0.50000000000000 0.25209090823970 0.14759415798784 18.998 > 39 41 F 0.10599225707837 0.59780657323208 0.46051742331195 18.998 > 1 42 F 0.60599225707837 0.59780657323208 0.46051742331195 18.998 > 1 43 F 0.35599225707837 0.90219342676792 0.53948257668805 18.998 > 3 44 F 0.85599225707837 0.90219342676792 0.53948257668805 18.998 > 3 45 F 0.39400774292163 0.90219342676792 0.96051742331195 18.998 > 5 46 F 0.89400774292163 0.90219342676792 0.96051742331195 18.998 > 5 47 F 0.14400774292163 0.59780657323208 0.03948257668805 18.998 > 7 48 F 0.64400774292163 0.59780657323208 0.03948257668805 18.998 > 7 49 F 0.14400774292163 0.90219342676792 0.53948257668805 18.998 > 9 50 F 0.64400774292163 0.90219342676792 0.53948257668805 18.998 > 9 51 F 0.39400774292163 0.59780657323208 0.46051742331195 18.998 > 11 52 F 0.89400774292163 0.59780657323208 0.46051742331195 18.998 > 11 53 F 0.35599225707837 0.59780657323208 0.03948257668805 18.998 > 13 54 F 0.85599225707837 0.59780657323208 0.03948257668805 18.998 > 13 55 F 0.10599225707837 0.90219342676792 0.96051742331195 18.998 > 15 56 F 0.60599225707837 0.90219342676792 0.96051742331195 18.998 > 15 57 F 0.00000000000000 0.52551780464842 0.64366022770529 18.998 > 17 58 F 0.50000000000000 0.52551780464842 0.64366022770529 18.998 > 17 59 F 0.25000000000000 0.97448219535158 0.35633977229471 18.998 > 19 60 F 0.75000000000000 0.97448219535158 0.35633977229471 18.998 > 19 61 F 0.00000000000000 0.97448219535158 0.14366022770529 18.998 > 21 62 F 0.50000000000000 0.97448219535158 0.14366022770529 18.998 > 21 63 F 0.25000000000000 0.52551780464842 0.85633977229471 18.998 > 23 64 F 0.75000000000000 0.52551780464842 0.85633977229471 18.998 > 23 65 F 0.25000000000000 0.74790909176030 0.64759415798784 18.998 > 25 66 F 0.75000000000000 0.74790909176030 0.64759415798784 18.998 > 25 67 F 0.00000000000000 0.75209090823970 0.35240584201216 18.998 > 27 68 F 0.50000000000000 0.75209090823970 0.35240584201216 18.998 > 27 69 F 0.12500000000000 0.88771893999097 0.75000000000000 18.998 > 29 70 F 0.62500000000000 0.88771893999097 0.75000000000000 18.998 > 29 71 F 0.37500000000000 0.61228106000903 0.25000000000000 18.998 > 31 72 F 0.87500000000000 0.61228106000903 0.25000000000000 18.998 > 31 73 F 0.12500000000000 0.61228106000903 0.25000000000000 18.998 > 33 74 F 0.62500000000000 0.61228106000903 0.25000000000000 18.998 > 33 75 F 0.37500000000000 0.88771893999097 0.75000000000000 18.998 > 35 76 F 0.87500000000000 0.88771893999097 0.75000000000000 18.998 > 35 77 F 0.00000000000000 0.74790909176030 0.85240584201216 18.998 > 37 78 F 0.50000000000000 0.74790909176030 0.85240584201216 18.998 > 37 79 F 0.25000000000000 0.75209090823970 0.14759415798784 18.998 > 39 80 F 0.75000000000000 0.75209090823970 0.14759415798784 18.998 > 39 81 Mg 0.00000000000000 0.38084384016472 0.65692224008419 24.305 > 81 82 Mg 0.50000000000000 0.38084384016472 0.65692224008419 24.305 > 81 83 Mg 0.25000000000000 0.11915615983528 0.34307775991581 24.305 > 83 84 Mg 0.75000000000000 0.11915615983528 0.34307775991581 24.305 > 83 85 Mg 0.00000000000000 0.11915615983528 0.15692224008420 24.305 > 85 86 Mg 0.50000000000000 0.11915615983528 0.15692224008420 24.305 > 85 87 Mg 0.25000000000000 0.38084384016472 0.84307775991581 24.305 > 87 88 Mg 0.75000000000000 0.38084384016472 0.84307775991581 24.305 > 87 89 Mg 0.25000000000000 0.00000000000000 0.50000000000000 24.305 > 89 90 Mg 0.75000000000000 0.00000000000000 0.50000000000000 24.305 > 89 91 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 91 92 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 91 93 Mg 0.25000000000000 0.88084384016472 0.65692224008419 24.305 > 81 94 Mg 0.75000000000000 0.88084384016472 0.65692224008419 24.305 > 81 95 Mg 0.00000000000000 0.61915615983528 0.34307775991581 24.305 > 83 96 Mg 0.50000000000000 0.61915615983528 0.34307775991581 24.305 > 83 97 Mg 0.25000000000000 0.61915615983528 0.15692224008420 24.305 > 85 98 Mg 0.75000000000000 0.61915615983528 0.15692224008420 24.305 > 85 99 Mg 0.00000000000000 0.88084384016472 0.84307775991581 24.305 > 87 100 Mg 0.50000000000000 0.88084384016472 0.84307775991581 24.305 > 87 101 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 89 102 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 89 103 Mg 0.25000000000000 0.50000000000000 0.00000000000000 24.305 > 91 104 Mg 0.75000000000000 0.50000000000000 0.00000000000000 24.305 > 91 105 Cs 0.25000000000000 0.24494371245015 0.60703623568006 132.905 > 105 106 Cs 0.75000000000000 0.24494371245015 0.60703623568006 132.905 > 105 107 Cs 0.00000000000000 0.25505628754985 0.39296376431994 132.905 > 107 108 Cs 0.50000000000000 0.25505628754985 0.39296376431994 132.905 > 107 109 Cs 0.25000000000000 0.25505628754985 0.10703623568006 132.905 > 109 110 Cs 0.75000000000000 0.25505628754985 0.10703623568006 132.905 > 109 111 Cs 0.00000000000000 0.24494371245015 0.89296376431994 132.905 > 111 112 Cs 0.50000000000000 0.24494371245015 0.89296376431994 132.905 > 111 113 Cs 0.00000000000000 0.04834875807554 0.63874584039212 132.905 > 113 114 Cs 0.50000000000000 0.04834875807554 0.63874584039212 132.905 > 113 115 Cs 0.25000000000000 0.45165124192447 0.36125415960788 132.905 > 115 116 Cs 0.75000000000000 0.45165124192447 0.36125415960788 132.905 > 115 117 Cs 0.00000000000000 0.45165124192447 0.13874584039212 132.905 > 117 118 Cs 0.50000000000000 0.45165124192447 0.13874584039212 132.905 > 117 119 Cs 0.25000000000000 0.04834875807554 0.86125415960788 132.905 > 119 120 Cs 0.75000000000000 0.04834875807554 0.86125415960788 132.905 > 119 121 Cs 0.00000000000000 0.74494371245015 0.60703623568006 132.905 > 105 122 Cs 0.50000000000000 0.74494371245015 0.60703623568006 132.905 > 105 123 Cs 0.25000000000000 0.75505628754985 0.39296376431994 132.905 > 107 124 Cs 0.75000000000000 0.75505628754985 0.39296376431994 132.905 > 107 125 Cs 0.00000000000000 0.75505628754985 0.10703623568006 132.905 > 109 126 Cs 0.50000000000000 0.75505628754985 0.10703623568006 132.905 > 109 127 Cs 0.25000000000000 0.74494371245015 0.89296376431994 132.905 > 111 128 Cs 0.75000000000000 0.74494371245015 0.89296376431994 132.905 > 111 129 Cs 0.25000000000000 0.54834875807553 0.63874584039212 132.905 > 113 130 Cs 0.75000000000000 0.54834875807553 0.63874584039212 132.905 > 113 131 Cs 0.00000000000000 0.95165124192447 0.36125415960788 132.905 > 115 132 Cs 0.50000000000000 0.95165124192447 0.36125415960788 132.905 > 115 133 Cs 0.25000000000000 0.95165124192447 0.13874584039212 132.905 > 117 134 Cs 0.75000000000000 0.95165124192447 0.13874584039212 132.905 > 117 135 Cs 0.00000000000000 0.54834875807553 0.86125415960788 132.905 > 119 136 Cs 0.50000000000000 0.54834875807553 0.86125415960788 132.905 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.3191477 0.0000000 0.0000000 0.0000000 2.3008111 0.0000000 0.0000000 0.0000000 2.2897778 -------------------------- Born effective charges -------------------------- 1 F -1.1564299 -0.0379752 -0.0375900 -0.0350869 -1.1447418 0.0464384 -0.0353777 0.0352004 -1.1124281 2 F -1.1564299 0.0379752 0.0375900 0.0350869 -1.1447418 0.0464384 0.0353777 0.0352004 -1.1124281 3 F -1.1564299 -0.0379752 0.0375900 -0.0350869 -1.1447418 -0.0464384 0.0353777 -0.0352004 -1.1124281 4 F -1.1564299 0.0379752 -0.0375900 0.0350869 -1.1447418 -0.0464384 -0.0353777 -0.0352004 -1.1124281 5 F -1.1564299 -0.0379752 -0.0375900 -0.0350869 -1.1447418 0.0464384 -0.0353777 0.0352004 -1.1124281 6 F -1.1564299 0.0379752 0.0375900 0.0350869 -1.1447418 0.0464384 0.0353777 0.0352004 -1.1124281 7 F -1.1564299 -0.0379752 0.0375900 -0.0350869 -1.1447418 -0.0464384 0.0353777 -0.0352004 -1.1124281 8 F -1.1564299 0.0379752 -0.0375900 0.0350869 -1.1447418 -0.0464384 -0.0353777 -0.0352004 -1.1124281 9 F -1.1156648 0.0000000 0.0000000 0.0000000 -1.1166934 -0.0150428 0.0000000 -0.0233597 -1.1991430 10 F -1.1156648 0.0000000 0.0000000 0.0000000 -1.1166934 -0.0150428 0.0000000 -0.0233597 -1.1991430 11 F -1.1156648 0.0000000 0.0000000 0.0000000 -1.1166934 0.0150428 0.0000000 0.0233597 -1.1991430 12 F -1.1156648 0.0000000 0.0000000 0.0000000 -1.1166934 0.0150428 0.0000000 0.0233597 -1.1991430 13 F -1.1629542 0.0000000 0.0000000 0.0000000 -1.3258588 -0.0215919 0.0000000 -0.0238103 -1.0190334 14 F -1.1629542 0.0000000 0.0000000 0.0000000 -1.3258588 -0.0215919 0.0000000 -0.0238103 -1.0190334 15 F -1.1867124 0.0000000 0.1062697 0.0000000 -1.0219502 0.0000000 0.1173637 0.0000000 -1.1589532 16 F -1.1867124 0.0000000 -0.1062697 0.0000000 -1.0219502 0.0000000 -0.1173637 0.0000000 -1.1589532 17 F -1.1867124 0.0000000 0.1062697 0.0000000 -1.0219502 0.0000000 0.1173637 0.0000000 -1.1589532 18 F -1.1867124 0.0000000 -0.1062697 0.0000000 -1.0219502 0.0000000 -0.1173637 0.0000000 -1.1589532 19 F -1.1629542 0.0000000 0.0000000 0.0000000 -1.3258588 0.0215919 0.0000000 0.0238103 -1.0190334 20 F -1.1629542 0.0000000 0.0000000 0.0000000 -1.3258588 0.0215919 0.0000000 0.0238103 -1.0190334 21 Mg 2.0332294 0.0000000 0.0000000 0.0000000 1.9987441 -0.0358177 0.0000000 -0.0209699 2.0333821 22 Mg 2.0332294 0.0000000 0.0000000 0.0000000 1.9987441 -0.0358177 0.0000000 -0.0209699 2.0333821 23 Mg 2.0332294 0.0000000 0.0000000 0.0000000 1.9987441 0.0358177 0.0000000 0.0209699 2.0333821 24 Mg 2.0332294 0.0000000 0.0000000 0.0000000 1.9987441 0.0358177 0.0000000 0.0209699 2.0333821 25 Mg 1.9743507 0.0000000 0.0000000 0.0000000 1.9375047 -0.0821356 0.0000000 -0.0578502 1.9932319 26 Mg 1.9743507 0.0000000 0.0000000 0.0000000 1.9375047 0.0821356 0.0000000 0.0578502 1.9932319 27 Cs 1.3958219 0.0000000 0.0000000 0.0000000 1.3923179 0.0801425 0.0000000 0.0811060 1.2495755 28 Cs 1.3958219 0.0000000 0.0000000 0.0000000 1.3923179 0.0801425 0.0000000 0.0811060 1.2495755 29 Cs 1.3958219 0.0000000 0.0000000 0.0000000 1.3923179 -0.0801425 0.0000000 -0.0811060 1.2495755 30 Cs 1.3958219 0.0000000 0.0000000 0.0000000 1.3923179 -0.0801425 0.0000000 -0.0811060 1.2495755 31 Cs 1.3619644 0.0000000 0.0000000 0.0000000 1.3941717 -0.0755056 0.0000000 -0.0735032 1.3224122 32 Cs 1.3619644 0.0000000 0.0000000 0.0000000 1.3941717 -0.0755056 0.0000000 -0.0735032 1.3224122 33 Cs 1.3619644 0.0000000 0.0000000 0.0000000 1.3941717 0.0755056 0.0000000 0.0735032 1.3224122 34 Cs 1.3619644 0.0000000 0.0000000 0.0000000 1.3941717 0.0755056 0.0000000 0.0735032 1.3224122 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 4 ] 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: 0.49, Number of G-points: 293, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/75) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.075 ( 0.000 0.000 0.000) 0.000 1.088 ( 0.000 0.000 0.000) 0.000 1.221 ( 0.000 0.000 0.000) 0.000 1.299 ( 0.000 0.000 0.000) 0.000 1.328 ( 0.000 0.000 0.000) 0.000 1.376 ( 0.000 0.000 0.000) 0.000 1.378 ( 0.000 0.000 0.000) 0.000 1.460 ( 0.000 0.000 0.000) 0.000 1.757 ( 0.000 0.000 0.000) 0.000 1.850 ( 0.000 0.000 0.000) 0.000 1.892 ( 0.000 0.000 0.000) 0.000 1.986 ( 0.000 0.000 0.000) 0.000 1.999 ( 0.000 0.000 0.000) 0.000 2.049 ( 0.000 0.000 0.000) 0.000 2.116 ( 0.000 0.000 0.000) 0.000 2.124 ( 0.000 0.000 0.000) 0.000 2.128 ( 0.000 0.000 0.000) 0.000 2.140 ( 0.000 0.000 0.000) 0.000 2.294 ( 0.000 0.000 0.000) 0.000 2.359 ( 0.000 0.000 0.000) 0.000 2.376 ( 0.000 0.000 0.000) 0.000 2.400 ( 0.000 0.000 0.000) 0.000 2.729 ( 0.000 0.000 0.000) 0.000 2.779 ( 0.000 0.000 0.000) 0.000 2.828 ( 0.000 0.000 0.000) 0.000 2.870 ( 0.000 0.000 0.000) 0.000 3.012 ( 0.000 0.000 0.000) 0.000 3.043 ( 0.000 0.000 0.000) 0.000 3.194 ( 0.000 0.000 0.000) 0.000 3.272 ( 0.000 0.000 0.000) 0.000 3.295 ( 0.000 0.000 0.000) 0.000 3.411 ( 0.000 0.000 0.000) 0.000 3.613 ( 0.000 0.000 0.000) 0.000 3.864 ( 0.000 0.000 0.000) 0.000 3.987 ( 0.000 0.000 0.000) 0.000 4.088 ( 0.000 0.000 0.000) 0.000 4.110 ( 0.000 0.000 0.000) 0.000 4.215 ( 0.000 0.000 0.000) 0.000 4.220 ( 0.000 0.000 0.000) 0.000 4.260 ( 0.000 0.000 0.000) 0.000 4.407 ( 0.000 0.000 0.000) 0.000 4.529 ( 0.000 0.000 0.000) 0.000 4.652 ( 0.000 0.000 0.000) 0.000 4.818 ( 0.000 0.000 0.000) 0.000 5.301 ( 0.000 0.000 0.000) 0.000 5.692 ( 0.000 0.000 0.000) 0.000 5.730 ( 0.000 0.000 0.000) 0.000 5.822 ( 0.000 0.000 0.000) 0.000 6.062 ( 0.000 0.000 0.000) 0.000 6.260 ( 0.000 0.000 0.000) 0.000 6.390 ( 0.000 0.000 0.000) 0.000 6.454 ( 0.000 0.000 0.000) 0.000 6.672 ( 0.000 0.000 0.000) 0.000 6.732 ( 0.000 0.000 0.000) 0.000 6.739 ( 0.000 0.000 0.000) 0.000 7.096 ( 0.000 0.000 0.000) 0.000 7.424 ( 0.000 0.000 0.000) 0.000 7.438 ( 0.000 0.000 0.000) 0.000 7.517 ( 0.000 0.000 0.000) 0.000 7.556 ( 0.000 0.000 0.000) 0.000 7.557 ( 0.000 0.000 0.000) 0.000 7.720 ( 0.000 0.000 0.000) 0.000 7.988 ( 0.000 0.000 0.000) 0.000 8.013 ( 0.000 0.000 0.000) 0.000 8.207 ( 0.000 0.000 0.000) 0.000 8.494 ( 0.000 0.000 0.000) 0.000 8.503 ( 0.000 0.000 0.000) 0.000 8.763 ( 0.000 0.000 0.000) 0.000 9.029 ( 0.000 0.000 0.000) 0.000 9.034 ( 0.000 0.000 0.000) 0.000 9.036 ( 0.000 0.000 0.000) 0.000 9.108 ( 0.000 0.000 0.000) 0.000 9.341 ( 0.000 0.000 0.000) 0.000 9.467 ( 0.000 0.000 0.000) 0.000 9.596 ( 0.000 0.000 0.000) 0.000 9.879 ( 0.000 0.000 0.000) 0.000 10.381 ( 0.000 0.000 0.000) 0.000 10.950 ( 0.000 0.000 0.000) 0.000 10.960 ( 0.000 0.000 0.000) 0.000 11.190 ( 0.000 0.000 0.000) 0.000 11.256 ( 0.000 0.000 0.000) 0.000 11.605 ( 0.000 0.000 0.000) 0.000 11.820 ( 0.000 0.000 0.000) 0.000 12.395 ( 0.000 0.000 0.000) 0.000 12.486 ( 0.000 0.000 0.000) 0.000 12.535 ( 0.000 0.000 0.000) 0.000 12.587 ( 0.000 0.000 0.000) 0.000 12.850 ( 0.000 0.000 0.000) 0.000 13.246 ( 0.000 0.000 0.000) 0.000 13.300 ( 0.000 0.000 0.000) 0.000 13.325 ( 0.000 0.000 0.000) 0.000 13.622 ( 0.000 0.000 0.000) 0.000 13.838 ( 0.000 0.000 0.000) 0.000 13.882 ( 0.000 0.000 0.000) 0.000 13.938 ( 0.000 0.000 0.000) 0.000 14.212 ( 0.000 0.000 0.000) 0.000 14.845 ( 0.000 0.000 0.000) 0.000 15.841 ( 0.000 0.000 0.000) 0.000 15.995 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/75) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.372 ( 15.405 -11.618 0.000) 19.295 0.400 ( 18.413 -6.257 0.000) 19.447 0.746 ( 34.958 -10.856 0.000) 36.605 1.090 ( 0.326 0.346 0.000) 0.476 1.132 ( 5.675 -0.242 0.000) 5.680 1.219 ( 1.064 3.136 0.000) 3.312 1.233 ( -2.688 -0.071 0.000) 2.689 1.312 ( -1.254 -3.497 0.000) 3.715 1.453 ( 5.162 -3.173 0.000) 6.059 1.485 ( 3.474 -0.137 0.000) 3.477 1.547 ( 10.754 -2.083 0.000) 10.954 1.769 ( 0.890 -0.496 0.000) 1.019 1.861 ( 0.942 2.052 0.000) 2.258 1.904 ( 1.099 0.103 0.000) 1.104 1.981 ( -1.019 -1.027 0.000) 1.446 1.996 ( -0.107 0.615 0.000) 0.624 2.053 ( 0.533 0.551 0.000) 0.767 2.109 ( -1.471 0.317 0.000) 1.505 2.113 ( 0.136 0.374 0.000) 0.398 2.114 ( -1.646 -0.567 0.000) 1.741 2.193 ( 4.760 -1.819 0.000) 5.096 2.255 ( -3.712 0.284 0.000) 3.722 2.326 ( -2.586 1.695 0.000) 3.091 2.371 ( -0.125 1.221 0.000) 1.228 2.393 ( -2.801 -2.926 0.000) 4.050 2.610 ( -5.184 -0.359 0.000) 5.196 2.803 ( -1.213 2.048 0.000) 2.380 2.954 ( 7.351 0.395 0.000) 7.362 3.026 ( 1.401 0.271 0.000) 1.427 3.038 ( 8.318 2.862 0.000) 8.796 3.203 ( 5.616 1.664 0.000) 5.857 3.268 ( 0.500 3.336 0.000) 3.374 3.277 ( 4.187 -6.332 0.000) 7.591 3.331 ( 3.731 0.198 0.000) 3.737 3.474 ( -10.505 1.511 0.000) 10.613 3.820 ( -1.342 -0.266 0.000) 1.368 4.032 ( -4.669 -1.536 0.000) 4.915 4.081 ( 3.257 4.996 0.000) 5.963 4.121 ( -0.760 10.937 0.000) 10.963 4.146 ( 6.241 -0.366 0.000) 6.252 4.239 ( -0.221 -5.908 0.000) 5.912 4.291 ( 2.410 -4.552 0.000) 5.151 4.342 ( -0.544 0.363 0.000) 0.654 4.515 ( 8.044 -1.843 0.000) 8.252 4.572 ( 3.811 -1.216 0.000) 4.000 4.751 ( 2.434 2.352 0.000) 3.384 4.844 ( 2.513 -0.517 0.000) 2.565 5.319 ( 0.992 -1.332 0.000) 1.661 5.686 ( -3.790 1.522 0.000) 4.084 5.695 ( 0.421 0.104 0.000) 0.434 5.767 ( -5.920 -2.704 0.000) 6.508 6.104 ( 3.174 0.104 0.000) 3.176 6.225 ( -3.536 -1.240 0.000) 3.748 6.459 ( 6.261 0.121 0.000) 6.262 6.475 ( 2.893 -0.489 0.000) 2.934 6.641 ( -4.178 -1.937 0.000) 4.605 6.814 ( 6.975 0.184 0.000) 6.978 6.911 ( -0.665 3.960 0.000) 4.015 7.119 ( 2.989 2.046 0.000) 3.622 7.415 ( -0.858 -0.164 0.000) 0.873 7.473 ( 2.843 0.265 0.000) 2.856 7.485 ( -3.119 1.880 0.000) 3.642 7.503 ( -3.563 0.006 0.000) 3.563 7.585 ( 2.078 -1.202 0.000) 2.400 7.773 ( 4.210 -0.039 0.000) 4.210 7.954 ( -2.604 2.065 0.000) 3.324 8.046 ( 3.241 -0.272 0.000) 3.252 8.266 ( 5.904 -0.011 0.000) 5.904 8.491 ( 0.058 0.460 0.000) 0.464 8.719 ( -2.153 5.305 0.000) 5.725 8.835 ( 4.295 22.579 0.000) 22.984 9.012 ( -1.687 0.279 0.000) 1.710 9.051 ( 0.969 -0.957 0.000) 1.362 9.123 ( -2.625 -6.828 0.000) 7.315 9.162 ( -0.939 -2.946 0.000) 3.092 9.395 ( 4.623 -2.018 0.000) 5.044 9.450 ( -2.149 -1.095 0.000) 2.412 9.580 ( -1.316 -0.244 0.000) 1.339 9.893 ( 2.079 1.683 0.000) 2.675 10.220 ( -14.636 -0.077 0.000) 14.636 10.889 ( -2.295 0.392 0.000) 2.328 11.066 ( 7.170 0.919 0.000) 7.229 11.202 ( 2.379 1.861 0.000) 3.020 11.254 ( -2.303 -1.631 0.000) 2.822 11.587 ( -6.363 -4.639 0.000) 7.875 11.795 ( -3.811 -2.530 0.000) 4.574 12.397 ( 0.024 -0.522 0.000) 0.522 12.530 ( -0.500 -0.398 0.000) 0.639 12.568 ( -1.042 0.889 0.000) 1.369 12.692 ( 5.600 2.997 0.000) 6.351 13.039 ( 17.893 1.136 0.000) 17.929 13.149 ( -5.975 6.190 0.000) 8.603 13.361 ( 6.668 3.392 0.000) 7.481 13.632 ( 1.085 -0.024 0.000) 1.085 13.753 ( 9.395 23.115 0.000) 24.951 13.820 ( -0.126 3.893 0.000) 3.895 13.971 ( 1.094 -5.556 0.000) 5.663 14.248 ( -1.240 -10.321 0.000) 10.395 14.780 ( -7.043 -0.966 0.000) 7.109 15.272 ( -15.084 -23.604 0.000) 28.012 15.829 ( -2.346 -1.982 0.000) 3.072 15.978 ( -2.255 -0.992 0.000) 2.464 ======================= Grid point 2 (3/75) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( 15.365 -9.331 0.000) 17.977 0.744 ( 13.733 -4.968 0.000) 14.604 1.090 ( 0.469 0.819 0.000) 0.944 1.206 ( 0.773 -0.175 0.000) 0.793 1.208 ( 1.897 4.109 0.000) 4.526 1.264 ( 7.124 -0.020 0.000) 7.124 1.365 ( 4.056 -5.010 0.000) 6.446 1.425 ( 27.558 -10.968 0.000) 29.661 1.566 ( 4.788 -1.611 0.000) 5.052 1.588 ( 6.101 -4.170 0.000) 7.390 1.738 ( 7.299 -1.141 0.000) 7.388 1.792 ( 1.089 -0.437 0.000) 1.173 1.860 ( 1.743 4.263 0.000) 4.606 1.912 ( -0.223 1.186 0.000) 1.206 1.964 ( -1.616 0.034 0.000) 1.616 1.977 ( -1.645 0.917 0.000) 1.883 2.051 ( 0.294 2.483 0.000) 2.501 2.073 ( -3.129 -1.097 0.000) 3.316 2.094 ( 0.437 -0.989 0.000) 1.081 2.112 ( -1.594 0.636 0.000) 1.716 2.197 ( -0.973 -2.762 0.000) 2.928 2.247 ( -4.510 1.744 0.000) 4.835 2.327 ( 7.513 -2.783 0.000) 8.012 2.345 ( -4.596 -3.133 0.000) 5.562 2.355 ( 0.141 2.442 0.000) 2.446 2.569 ( -0.885 -2.074 0.000) 2.255 2.760 ( -1.614 1.917 0.000) 2.506 2.968 ( -1.060 0.490 0.000) 1.167 3.037 ( -0.552 1.705 0.000) 1.792 3.186 ( -5.339 4.969 0.000) 7.294 3.274 ( 11.789 1.082 0.000) 11.839 3.333 ( 11.762 0.857 0.000) 11.793 3.341 ( -1.832 -2.583 0.000) 3.167 3.434 ( 6.013 0.692 0.000) 6.053 3.465 ( 12.775 -0.651 0.000) 12.791 3.809 ( -0.515 -0.046 0.000) 0.517 3.963 ( -4.621 -2.017 0.000) 5.041 4.033 ( -1.147 6.279 0.000) 6.383 4.063 ( -2.035 0.112 0.000) 2.039 4.239 ( 3.445 2.119 0.000) 4.045 4.294 ( 2.254 7.346 0.000) 7.684 4.297 ( 3.617 -1.326 0.000) 3.853 4.406 ( 3.987 -2.476 0.000) 4.693 4.653 ( 3.390 -0.676 0.000) 3.457 4.674 ( 8.070 -0.170 0.000) 8.071 4.801 ( 3.868 -0.382 0.000) 3.887 4.911 ( 3.275 -2.395 0.000) 4.057 5.339 ( -0.549 -1.710 0.000) 1.796 5.582 ( -6.145 1.695 0.000) 6.374 5.672 ( -7.198 -3.456 0.000) 7.984 5.715 ( 1.797 -0.771 0.000) 1.956 6.136 ( 0.378 1.051 0.000) 1.117 6.193 ( -0.393 -1.271 0.000) 1.331 6.522 ( 2.028 0.500 0.000) 2.089 6.564 ( -4.628 -3.263 0.000) 5.663 6.625 ( 9.361 -0.991 0.000) 9.413 6.860 ( -3.092 -0.241 0.000) 3.101 6.938 ( 5.568 0.687 0.000) 5.610 7.159 ( 2.919 2.198 0.000) 3.654 7.403 ( -4.962 1.797 0.000) 5.278 7.412 ( 1.022 -0.394 0.000) 1.095 7.425 ( -3.468 0.885 0.000) 3.580 7.538 ( 4.126 0.069 0.000) 4.127 7.643 ( 2.947 -0.990 0.000) 3.109 7.838 ( 2.473 0.236 0.000) 2.484 7.873 ( -3.677 3.256 0.000) 4.911 8.119 ( 3.341 -1.597 0.000) 3.703 8.389 ( 6.578 0.943 0.000) 6.645 8.501 ( 2.158 0.602 0.000) 2.241 8.636 ( -0.386 7.491 0.000) 7.501 8.727 ( -1.331 10.637 0.000) 10.720 8.967 ( -2.585 0.513 0.000) 2.635 9.066 ( -0.926 -1.368 0.000) 1.652 9.093 ( -4.649 -4.464 0.000) 6.445 9.193 ( 1.848 -0.894 0.000) 2.053 9.415 ( -2.646 -1.533 0.000) 3.058 9.521 ( 6.640 -2.752 0.000) 7.188 9.581 ( 1.901 -0.246 0.000) 1.917 9.920 ( 2.451 2.606 0.000) 3.577 9.966 ( -11.759 -1.030 0.000) 11.804 10.858 ( -0.615 0.953 0.000) 1.134 11.176 ( 5.956 2.951 0.000) 6.647 11.196 ( -5.294 -0.584 0.000) 5.326 11.262 ( 5.038 -0.490 0.000) 5.061 11.503 ( -4.246 -0.480 0.000) 4.273 11.723 ( -6.481 -3.625 0.000) 7.426 12.409 ( 0.546 -1.570 0.000) 1.662 12.525 ( -0.576 -0.842 0.000) 1.020 12.543 ( -0.942 0.686 0.000) 1.165 12.794 ( 6.951 0.966 0.000) 7.018 12.973 ( -5.822 9.029 0.000) 10.743 13.350 ( 15.980 4.820 0.000) 16.691 13.474 ( 7.296 1.333 0.000) 7.417 13.660 ( 1.834 0.038 0.000) 1.835 13.747 ( 3.558 9.010 0.000) 9.687 13.777 ( -1.033 4.522 0.000) 4.638 14.056 ( 2.567 -7.240 0.000) 7.681 14.295 ( -3.294 -11.213 0.000) 11.687 14.639 ( -8.150 -1.803 0.000) 8.347 15.144 ( -11.722 -7.260 0.000) 13.788 15.797 ( -2.729 -2.242 0.000) 3.532 15.930 ( -3.762 -1.004 0.000) 3.894 ======================= Grid point 3 (4/75) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 5.664 -2.763 0.000) 6.302 1.037 ( 8.127 -2.122 0.000) 8.399 1.108 ( 3.952 -2.238 0.000) 4.542 1.210 ( 0.653 1.351 0.000) 1.500 1.240 ( 3.402 -2.442 0.000) 4.188 1.419 ( 10.333 0.460 0.000) 10.343 1.525 ( 8.958 -3.175 0.000) 9.504 1.669 ( 5.259 -1.192 0.000) 5.392 1.722 ( 5.043 -3.259 0.000) 6.004 1.778 ( 2.780 -0.514 0.000) 2.827 1.810 ( 0.307 0.039 0.000) 0.309 1.811 ( 0.351 0.947 0.000) 1.010 1.859 ( -4.360 1.716 0.000) 4.685 1.911 ( -2.824 0.972 0.000) 2.987 1.925 ( -2.954 0.792 0.000) 3.058 1.972 ( 3.042 -3.647 0.000) 4.749 1.988 ( -2.766 5.105 0.000) 5.806 2.044 ( 5.965 -1.215 0.000) 6.087 2.099 ( 1.012 -0.872 0.000) 1.335 2.148 ( -2.624 0.462 0.000) 2.664 2.152 ( 3.919 -1.603 0.000) 4.234 2.247 ( 1.235 -3.146 0.000) 3.380 2.296 ( -3.068 -4.158 0.000) 5.167 2.356 ( 2.758 2.373 0.000) 3.638 2.486 ( 6.773 -2.794 0.000) 7.327 2.576 ( -1.402 -3.217 0.000) 3.509 2.729 ( -0.031 0.868 0.000) 0.868 2.942 ( -5.641 4.559 0.000) 7.253 2.956 ( 0.978 1.503 0.000) 1.793 3.109 ( -2.185 -0.781 0.000) 2.320 3.353 ( 0.341 -1.938 0.000) 1.967 3.371 ( 2.125 -1.087 0.000) 2.387 3.544 ( 5.961 0.087 0.000) 5.961 3.623 ( 14.691 1.658 0.000) 14.785 3.685 ( 10.808 0.094 0.000) 10.808 3.795 ( -0.973 0.277 0.000) 1.012 3.887 ( -4.316 0.413 0.000) 4.335 3.993 ( 1.809 4.479 0.000) 4.831 4.015 ( -3.286 -0.966 0.000) 3.425 4.260 ( 0.827 2.039 0.000) 2.200 4.328 ( 7.766 7.580 0.000) 10.852 4.360 ( 2.499 0.735 0.000) 2.605 4.496 ( 5.521 -0.405 0.000) 5.536 4.699 ( 1.350 -0.594 0.000) 1.475 4.810 ( 7.701 1.628 0.000) 7.871 4.888 ( 4.828 -1.217 0.000) 4.980 4.984 ( 2.239 -2.985 0.000) 3.732 5.320 ( -2.537 -1.400 0.000) 2.898 5.431 ( -9.905 0.441 0.000) 9.915 5.543 ( -9.667 -2.373 0.000) 9.954 5.779 ( 3.888 -2.383 0.000) 4.561 6.098 ( -2.930 2.297 0.000) 3.723 6.232 ( 3.196 -1.140 0.000) 3.394 6.454 ( -5.896 -2.650 0.000) 6.464 6.610 ( 4.483 1.214 0.000) 4.645 6.792 ( 7.659 -0.657 0.000) 7.687 6.803 ( -4.153 -2.186 0.000) 4.693 6.982 ( 0.335 1.085 0.000) 1.136 7.182 ( 0.968 1.564 0.000) 1.839 7.279 ( -5.748 1.917 0.000) 6.059 7.395 ( 0.526 0.094 0.000) 0.534 7.472 ( 4.368 -0.711 0.000) 4.425 7.611 ( 3.781 0.221 0.000) 3.787 7.697 ( 1.905 -0.978 0.000) 2.142 7.782 ( -3.009 3.288 0.000) 4.457 7.853 ( -0.629 0.321 0.000) 0.706 8.180 ( 1.621 -3.137 0.000) 3.531 8.428 ( 0.466 5.989 0.000) 6.007 8.568 ( 2.542 -0.622 0.000) 2.617 8.608 ( 2.658 6.413 0.000) 6.942 8.675 ( 3.455 1.683 0.000) 3.843 8.928 ( -1.087 0.239 0.000) 1.113 9.030 ( -3.746 -1.024 0.000) 3.884 9.038 ( -3.318 -0.836 0.000) 3.421 9.231 ( 1.301 -1.519 0.000) 2.000 9.376 ( -2.704 -0.495 0.000) 2.749 9.648 ( 4.384 0.075 0.000) 4.384 9.655 ( 5.190 -2.231 0.000) 5.649 9.838 ( -3.617 -2.823 0.000) 4.589 9.933 ( 1.068 2.673 0.000) 2.878 10.851 ( 0.944 1.574 0.000) 1.835 11.077 ( -7.708 -0.798 0.000) 7.749 11.248 ( 4.867 2.647 0.000) 5.540 11.369 ( 5.292 -1.076 0.000) 5.400 11.446 ( -2.151 0.987 0.000) 2.366 11.626 ( -6.860 -3.492 0.000) 7.698 12.444 ( 1.333 -2.882 0.000) 3.175 12.523 ( -0.701 0.649 0.000) 0.955 12.524 ( -0.355 -1.536 0.000) 1.577 12.782 ( -4.551 8.570 0.000) 9.703 12.963 ( 8.427 -1.728 0.000) 8.603 13.483 ( 4.072 10.236 0.000) 11.016 13.590 ( 5.309 -0.525 0.000) 5.335 13.691 ( 1.390 0.193 0.000) 1.403 13.727 ( -1.508 -0.084 0.000) 1.510 13.744 ( 1.651 4.333 0.000) 4.637 14.153 ( 0.895 -7.663 0.000) 7.715 14.295 ( -4.049 -6.591 0.000) 7.736 14.567 ( 0.758 0.584 0.000) 0.957 14.972 ( -11.001 -2.836 0.000) 11.360 15.772 ( -1.736 -2.256 0.000) 2.847 15.864 ( -3.744 -0.206 0.000) 3.749 ======================= Grid point 4 (5/75) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 1.819 -1.648 0.000) 2.454 1.058 ( -0.410 1.613 0.000) 1.664 1.193 ( 1.448 -0.453 0.000) 1.518 1.208 ( -0.265 0.155 0.000) 0.307 1.437 ( 11.756 -5.613 0.000) 13.027 1.607 ( 9.564 0.905 0.000) 9.607 1.671 ( -5.481 3.396 0.000) 6.448 1.711 ( 3.327 -1.139 0.000) 3.517 1.744 ( -2.827 -0.035 0.000) 2.827 1.757 ( -0.059 -1.090 0.000) 1.092 1.814 ( 2.144 -1.130 0.000) 2.423 1.816 ( 1.313 1.458 0.000) 1.962 1.838 ( -0.441 -1.083 0.000) 1.169 1.858 ( -1.226 1.322 0.000) 1.803 1.879 ( -0.924 0.114 0.000) 0.931 1.907 ( -5.562 -1.697 0.000) 5.815 1.932 ( 0.950 2.342 0.000) 2.528 1.999 ( -4.882 2.071 0.000) 5.304 2.138 ( 2.461 -0.236 0.000) 2.472 2.175 ( -0.817 -0.534 0.000) 0.976 2.246 ( -0.816 -4.209 0.000) 4.287 2.260 ( 0.224 1.669 0.000) 1.684 2.392 ( 6.811 -1.850 0.000) 7.057 2.412 ( 2.879 -0.037 0.000) 2.880 2.570 ( -0.571 -2.897 0.000) 2.952 2.583 ( 1.601 -0.618 0.000) 1.717 2.752 ( 1.649 -1.973 0.000) 2.572 2.819 ( -3.780 3.659 0.000) 5.261 2.990 ( 4.335 1.809 0.000) 4.697 3.065 ( -4.185 -1.474 0.000) 4.438 3.373 ( 0.588 -1.069 0.000) 1.220 3.389 ( -0.517 -0.398 0.000) 0.652 3.645 ( 4.878 -0.822 0.000) 4.947 3.718 ( -1.063 -0.446 0.000) 1.153 3.774 ( -1.078 -0.528 0.000) 1.200 3.781 ( -0.657 4.168 0.000) 4.219 3.904 ( 5.390 -0.133 0.000) 5.392 3.965 ( -2.934 -0.771 0.000) 3.033 4.068 ( 10.075 2.781 0.000) 10.452 4.218 ( -5.420 0.054 0.000) 5.421 4.382 ( 0.995 0.491 0.000) 1.110 4.387 ( 1.552 1.568 0.000) 2.207 4.637 ( 8.980 2.963 0.000) 9.457 4.710 ( -1.509 -1.578 0.000) 2.183 4.947 ( 9.368 1.517 0.000) 9.490 5.000 ( 7.442 0.732 0.000) 7.478 5.027 ( -0.519 -2.208 0.000) 2.268 5.209 ( -14.522 -1.464 0.000) 14.596 5.293 ( -0.145 -0.788 0.000) 0.801 5.373 ( -8.659 -0.386 0.000) 8.668 5.886 ( 5.135 -3.389 0.000) 6.153 6.005 ( -4.750 3.204 0.000) 5.730 6.307 ( 4.044 -0.225 0.000) 4.050 6.378 ( -4.362 -1.385 0.000) 4.576 6.679 ( 4.781 2.768 0.000) 5.524 6.743 ( -4.695 -3.077 0.000) 5.613 6.901 ( 4.162 0.169 0.000) 4.165 6.956 ( -2.201 0.222 0.000) 2.212 7.179 ( 0.175 0.766 0.000) 0.785 7.195 ( -2.187 0.627 0.000) 2.275 7.440 ( 3.415 -1.553 0.000) 3.752 7.510 ( -1.462 1.245 0.000) 1.920 7.681 ( 3.934 -0.386 0.000) 3.953 7.719 ( -0.259 -0.295 0.000) 0.393 7.747 ( 1.897 1.769 0.000) 2.594 7.809 ( -4.021 -0.227 0.000) 4.027 8.245 ( 2.609 -4.747 0.000) 5.416 8.345 ( -3.013 6.700 0.000) 7.346 8.594 ( 0.174 -2.150 0.000) 2.157 8.608 ( 1.425 4.159 0.000) 4.397 8.792 ( 6.577 -2.071 0.000) 6.895 8.902 ( -2.523 2.400 0.000) 3.482 8.975 ( -2.358 -2.988 0.000) 3.806 8.992 ( -1.268 1.799 0.000) 2.200 9.269 ( 1.766 -1.497 0.000) 2.315 9.321 ( -2.850 0.943 0.000) 3.002 9.709 ( 2.404 0.312 0.000) 2.424 9.724 ( 0.826 -0.869 0.000) 1.199 9.862 ( 2.030 -3.259 0.000) 3.839 9.915 ( -0.925 2.567 0.000) 2.728 10.875 ( 3.386 1.844 0.000) 3.855 10.952 ( -6.426 -1.438 0.000) 6.585 11.320 ( 4.717 1.438 0.000) 4.932 11.392 ( -3.491 0.245 0.000) 3.500 11.461 ( 4.300 -0.312 0.000) 4.311 11.538 ( -5.008 -1.715 0.000) 5.294 12.489 ( 0.911 -1.913 0.000) 2.119 12.508 ( -0.443 0.802 0.000) 0.916 12.551 ( 1.414 -4.502 0.000) 4.719 12.645 ( -3.511 7.225 0.000) 8.033 13.157 ( 9.320 -5.476 0.000) 10.809 13.367 ( -6.318 9.805 0.000) 11.664 13.667 ( 2.398 -1.172 0.000) 2.669 13.698 ( -0.505 0.236 0.000) 0.558 13.731 ( -0.155 -2.272 0.000) 2.277 13.740 ( 0.938 2.849 0.000) 2.999 14.208 ( 0.210 -5.652 0.000) 5.656 14.257 ( -2.670 -0.043 0.000) 2.671 14.647 ( 8.638 3.502 0.000) 9.320 14.798 ( -10.372 -3.047 0.000) 10.810 15.773 ( 0.142 -1.761 0.000) 1.767 15.805 ( -2.258 0.848 0.000) 2.412 ======================= Grid point 10 (6/75) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( 18.553 -0.000 0.000) 18.553 0.703 ( 15.477 -0.000 0.000) 15.477 1.098 ( 0.344 -0.000 0.000) 0.344 1.205 ( -0.434 0.000 0.000) 0.434 1.260 ( -1.839 0.000 0.000) 1.839 1.264 ( 7.274 -0.000 0.000) 7.274 1.308 ( 7.943 -0.000 0.000) 7.943 1.336 ( 31.172 -0.000 0.000) 31.172 1.553 ( 6.719 -0.000 0.000) 6.719 1.556 ( 4.972 -0.000 0.000) 4.972 1.729 ( 7.270 -0.000 0.000) 7.270 1.789 ( 1.288 -0.000 0.000) 1.288 1.896 ( 2.448 -0.000 0.000) 2.448 1.921 ( 0.105 -0.000 0.000) 0.105 1.962 ( -1.068 0.000 0.000) 1.068 1.984 ( -1.678 0.000 0.000) 1.678 2.069 ( -2.829 0.000 0.000) 2.829 2.071 ( 1.112 -0.000 0.000) 1.112 2.083 ( -0.309 0.000 0.000) 0.309 2.125 ( 1.452 -0.000 0.000) 1.452 2.167 ( -5.484 0.000 0.000) 5.484 2.266 ( -4.772 0.000 0.000) 4.772 2.305 ( 7.733 -0.000 0.000) 7.733 2.314 ( -4.710 0.000 0.000) 4.710 2.374 ( 0.191 -0.000 0.000) 0.191 2.551 ( -1.323 0.000 0.000) 1.323 2.778 ( -1.966 0.000 0.000) 1.966 2.971 ( -0.796 0.000 0.000) 0.796 3.050 ( 0.648 -0.000 0.000) 0.648 3.242 ( -11.302 0.000 0.000) 11.302 3.284 ( 9.301 -0.000 0.000) 9.301 3.305 ( 1.422 -0.000 0.000) 1.422 3.340 ( 12.788 -0.000 0.000) 12.788 3.439 ( 5.554 -0.000 0.000) 5.554 3.457 ( 13.999 -0.000 0.000) 13.999 3.808 ( -0.332 0.000 0.000) 0.332 3.944 ( -3.763 0.000 0.000) 3.763 4.065 ( -3.335 0.000 0.000) 3.335 4.086 ( -3.848 0.000 0.000) 3.848 4.257 ( 3.071 -0.000 0.000) 3.071 4.284 ( 5.953 -0.000 0.000) 5.953 4.357 ( 4.842 -0.000 0.000) 4.842 4.386 ( 3.437 -0.000 0.000) 3.437 4.648 ( 4.151 -0.000 0.000) 4.151 4.665 ( 9.079 -0.000 0.000) 9.079 4.803 ( 2.945 -0.000 0.000) 2.945 4.891 ( 2.845 -0.000 0.000) 2.845 5.321 ( -0.413 0.000 0.000) 0.413 5.612 ( -5.213 0.000 0.000) 5.213 5.627 ( -8.030 0.000 0.000) 8.030 5.712 ( 1.469 -0.000 0.000) 1.469 6.145 ( 0.836 -0.000 0.000) 0.836 6.182 ( -0.236 0.000 0.000) 0.236 6.531 ( -6.534 0.000 0.000) 6.534 6.534 ( 4.501 -0.000 0.000) 4.501 6.616 ( 9.348 -0.000 0.000) 9.348 6.856 ( -4.281 0.000 0.000) 4.281 6.944 ( 5.904 -0.000 0.000) 5.904 7.182 ( 2.329 -0.000 0.000) 2.329 7.409 ( 0.927 -0.000 0.000) 0.927 7.419 ( -5.559 0.000 0.000) 5.559 7.431 ( -3.023 0.000 0.000) 3.023 7.539 ( 4.088 -0.000 0.000) 4.088 7.635 ( 3.082 -0.000 0.000) 3.082 7.840 ( 2.647 -0.000 0.000) 2.647 7.899 ( -4.022 0.000 0.000) 4.022 8.106 ( 2.865 -0.000 0.000) 2.865 8.397 ( 7.738 -0.000 0.000) 7.738 8.505 ( 1.525 -0.000 0.000) 1.525 8.701 ( -1.252 0.000 0.000) 1.252 8.870 ( -8.045 0.000 0.000) 8.045 8.968 ( -3.130 0.000 0.000) 3.130 9.005 ( -0.882 0.000 0.000) 0.882 9.053 ( -0.654 0.000 0.000) 0.654 9.185 ( 1.513 -0.000 0.000) 1.513 9.403 ( -2.231 0.000 0.000) 2.231 9.497 ( 7.032 -0.000 0.000) 7.032 9.579 ( 1.912 -0.000 0.000) 1.912 9.943 ( 2.086 -0.000 0.000) 2.086 9.958 ( -12.222 0.000 0.000) 12.222 10.866 ( -0.525 0.000 0.000) 0.525 11.188 ( -5.115 0.000 0.000) 5.115 11.206 ( 7.227 -0.000 0.000) 7.227 11.252 ( 2.895 -0.000 0.000) 2.895 11.499 ( -2.784 0.000 0.000) 2.784 11.692 ( -6.315 0.000 0.000) 6.315 12.397 ( 0.280 -0.000 0.000) 0.280 12.518 ( -0.646 0.000 0.000) 0.646 12.548 ( -1.182 0.000 0.000) 1.182 12.804 ( 6.528 -0.000 0.000) 6.528 13.049 ( -7.423 0.000 0.000) 7.423 13.390 ( 17.091 -0.000 0.000) 17.091 13.492 ( 6.223 -0.000 0.000) 6.223 13.660 ( 1.902 -0.000 0.000) 1.902 13.842 ( -1.469 0.000 0.000) 1.469 13.847 ( 0.963 -0.000 0.000) 0.963 13.963 ( 0.150 -0.000 0.000) 0.150 14.193 ( -0.538 0.000 0.000) 0.538 14.624 ( -7.702 0.000 0.000) 7.702 15.065 ( -6.536 0.000 0.000) 6.536 15.778 ( -2.467 0.000 0.000) 2.467 15.922 ( -3.348 0.000 0.000) 3.348 ======================= Grid point 11 (7/75) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 7.307 -1.112 0.000) 7.391 0.993 ( 16.353 -2.033 0.000) 16.479 1.100 ( 0.184 0.211 0.000) 0.280 1.215 ( 1.505 -0.873 0.000) 1.740 1.227 ( -1.128 0.670 0.000) 1.312 1.420 ( 10.352 -0.255 0.000) 10.355 1.498 ( 11.053 -0.476 0.000) 11.064 1.658 ( 5.693 -0.292 0.000) 5.701 1.683 ( 6.402 -1.542 0.000) 6.585 1.767 ( 9.438 -0.840 0.000) 9.475 1.790 ( 1.491 -1.550 0.000) 2.151 1.810 ( 0.964 -0.018 0.000) 0.964 1.880 ( -4.678 0.770 0.000) 4.741 1.908 ( -4.507 -0.277 0.000) 4.515 1.933 ( -3.644 0.325 0.000) 3.658 1.974 ( 2.138 1.519 0.000) 2.623 2.046 ( 7.730 0.865 0.000) 7.779 2.062 ( -3.573 3.249 0.000) 4.829 2.094 ( 2.033 0.806 0.000) 2.186 2.132 ( 4.196 -0.819 0.000) 4.275 2.166 ( -4.815 0.989 0.000) 4.916 2.184 ( 2.223 -3.976 0.000) 4.555 2.231 ( -4.797 -3.282 0.000) 5.813 2.388 ( 2.038 1.220 0.000) 2.375 2.453 ( 7.450 -1.187 0.000) 7.544 2.538 ( -1.377 -1.422 0.000) 1.980 2.743 ( -1.285 0.673 0.000) 1.450 2.972 ( 1.327 0.524 0.000) 1.427 3.014 ( -4.789 4.495 0.000) 6.568 3.079 ( -5.270 -3.051 0.000) 6.089 3.333 ( 1.283 -0.604 0.000) 1.418 3.360 ( 2.299 -0.329 0.000) 2.323 3.542 ( 5.261 -0.153 0.000) 5.264 3.648 ( 13.499 1.604 0.000) 13.594 3.673 ( 10.948 -1.392 0.000) 11.036 3.798 ( -0.851 0.146 0.000) 0.864 3.889 ( -2.588 -0.023 0.000) 2.588 4.006 ( -3.102 -0.263 0.000) 3.113 4.045 ( 0.777 1.976 0.000) 2.123 4.286 ( -0.240 1.036 0.000) 1.063 4.361 ( 2.578 -0.215 0.000) 2.587 4.400 ( 1.619 1.483 0.000) 2.195 4.513 ( 10.650 1.916 0.000) 10.821 4.700 ( 1.545 0.303 0.000) 1.574 4.828 ( 8.520 0.645 0.000) 8.544 4.871 ( 4.743 -0.797 0.000) 4.809 4.947 ( 2.606 -1.490 0.000) 3.002 5.298 ( -2.303 -1.012 0.000) 2.515 5.443 ( -11.452 0.938 0.000) 11.491 5.507 ( -8.077 -1.874 0.000) 8.291 5.756 ( 3.304 -0.648 0.000) 3.367 6.128 ( -2.259 1.168 0.000) 2.543 6.218 ( 3.535 -0.560 0.000) 3.579 6.422 ( -5.460 -1.283 0.000) 5.609 6.627 ( 5.658 0.737 0.000) 5.706 6.777 ( -4.673 -0.942 0.000) 4.767 6.782 ( 8.056 -0.514 0.000) 8.073 6.996 ( 0.095 0.540 0.000) 0.548 7.202 ( 0.310 0.870 0.000) 0.924 7.301 ( -6.318 0.817 0.000) 6.370 7.398 ( -0.351 0.147 0.000) 0.381 7.464 ( 4.523 -0.293 0.000) 4.532 7.613 ( 3.904 0.084 0.000) 3.905 7.685 ( 2.058 -0.466 0.000) 2.110 7.818 ( -3.899 1.237 0.000) 4.091 7.859 ( -0.647 0.271 0.000) 0.702 8.144 ( 1.194 -1.272 0.000) 1.745 8.510 ( 4.777 3.941 0.000) 6.193 8.557 ( 3.317 -1.071 0.000) 3.486 8.693 ( 1.597 3.662 0.000) 3.995 8.707 ( -5.995 1.952 0.000) 6.305 8.915 ( -2.466 -1.123 0.000) 2.710 9.008 ( -0.759 -2.196 0.000) 2.324 9.019 ( -3.396 -0.462 0.000) 3.427 9.214 ( 1.488 -0.574 0.000) 1.595 9.371 ( -1.621 -0.169 0.000) 1.630 9.627 ( 6.145 -1.058 0.000) 6.236 9.649 ( 5.035 0.025 0.000) 5.035 9.805 ( -4.793 -1.230 0.000) 4.948 9.961 ( 0.244 0.920 0.000) 0.952 10.868 ( 1.032 0.580 0.000) 1.184 11.066 ( -7.888 -0.456 0.000) 7.901 11.294 ( 4.553 3.124 0.000) 5.522 11.340 ( 4.786 -2.599 0.000) 5.446 11.466 ( -1.011 1.218 0.000) 1.583 11.575 ( -7.044 -2.382 0.000) 7.436 12.412 ( 1.021 -1.089 0.000) 1.493 12.508 ( -0.616 -0.557 0.000) 0.830 12.529 ( -0.861 0.114 0.000) 0.869 12.891 ( -5.004 4.877 0.000) 6.987 12.945 ( 6.122 -1.192 0.000) 6.237 13.589 ( 4.587 0.245 0.000) 4.593 13.606 ( 8.249 3.580 0.000) 8.992 13.695 ( 1.741 0.271 0.000) 1.761 13.795 ( -4.066 10.083 0.000) 10.872 13.811 ( 0.081 3.256 0.000) 3.257 13.988 ( -1.980 -12.878 0.000) 13.029 14.208 ( 0.051 -3.708 0.000) 3.708 14.575 ( 3.152 0.348 0.000) 3.171 14.924 ( -10.146 -2.336 0.000) 10.412 15.746 ( -1.345 -0.987 0.000) 1.668 15.862 ( -3.087 -0.057 0.000) 3.088 ======================= Grid point 12 (8/75) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 2.309 -0.919 0.000) 2.485 1.083 ( -0.437 1.475 0.000) 1.538 1.186 ( 2.246 -0.412 0.000) 2.283 1.209 ( -0.632 -0.015 0.000) 0.632 1.363 ( 12.976 -3.676 0.000) 13.487 1.613 ( 9.128 -0.220 0.000) 9.131 1.690 ( 8.948 -0.050 0.000) 8.948 1.732 ( -6.866 2.935 0.000) 7.467 1.736 ( -5.793 -0.601 0.000) 5.824 1.749 ( 3.361 -0.278 0.000) 3.373 1.797 ( 1.566 -1.240 0.000) 1.997 1.821 ( -2.633 -0.447 0.000) 2.671 1.830 ( 0.226 0.012 0.000) 0.226 1.867 ( -1.448 -0.923 0.000) 1.717 1.872 ( 1.792 0.892 0.000) 2.002 1.915 ( -3.735 1.685 0.000) 4.097 1.990 ( -1.066 3.888 0.000) 4.031 2.033 ( -5.366 1.923 0.000) 5.700 2.138 ( 3.218 0.581 0.000) 3.270 2.150 ( -2.918 -3.145 0.000) 4.290 2.196 ( 1.136 -1.139 0.000) 1.609 2.248 ( 1.522 -2.651 0.000) 3.057 2.372 ( 12.222 -0.930 0.000) 12.257 2.430 ( 3.486 1.816 0.000) 3.931 2.522 ( -1.030 -2.813 0.000) 2.996 2.569 ( 3.614 -1.045 0.000) 3.762 2.732 ( 0.256 -0.675 0.000) 0.722 2.882 ( -4.445 4.345 0.000) 6.216 3.012 ( 3.613 0.960 0.000) 3.738 3.028 ( -4.563 -3.224 0.000) 5.587 3.364 ( 1.901 -0.154 0.000) 1.908 3.387 ( 0.778 0.134 0.000) 0.790 3.626 ( 3.291 -1.350 0.000) 3.557 3.708 ( -1.339 -0.709 0.000) 1.516 3.774 ( -1.510 0.279 0.000) 1.535 3.833 ( -1.946 2.402 0.000) 3.091 3.900 ( 7.067 -0.296 0.000) 7.073 3.956 ( -2.845 -0.452 0.000) 2.880 4.104 ( 7.394 1.854 0.000) 7.623 4.215 ( -7.653 -0.371 0.000) 7.662 4.386 ( 0.193 -0.004 0.000) 0.193 4.401 ( -0.825 0.288 0.000) 0.874 4.691 ( 8.439 3.366 0.000) 9.085 4.699 ( -1.751 0.085 0.000) 1.753 4.972 ( 9.456 1.562 0.000) 9.584 4.994 ( 0.205 -1.850 0.000) 1.861 5.007 ( 9.542 0.108 0.000) 9.543 5.192 ( -15.245 -0.747 0.000) 15.264 5.276 ( 0.016 -1.257 0.000) 1.257 5.364 ( -7.461 -0.650 0.000) 7.489 5.844 ( 5.071 -1.979 0.000) 5.444 6.051 ( -4.268 2.564 0.000) 4.979 6.302 ( 4.840 -0.409 0.000) 4.857 6.355 ( -3.334 -1.420 0.000) 3.624 6.703 ( -4.644 -1.912 0.000) 5.022 6.719 ( 5.509 2.169 0.000) 5.920 6.902 ( 4.662 -0.082 0.000) 4.663 6.962 ( -2.853 0.390 0.000) 2.879 7.189 ( -0.752 0.538 0.000) 0.925 7.203 ( -3.527 0.375 0.000) 3.547 7.421 ( 2.482 -0.898 0.000) 2.639 7.523 ( 0.099 0.440 0.000) 0.451 7.677 ( 3.158 -0.119 0.000) 3.160 7.711 ( 0.169 -0.590 0.000) 0.614 7.771 ( 0.816 1.215 0.000) 1.464 7.810 ( -4.370 0.263 0.000) 4.378 8.187 ( 2.112 -2.673 0.000) 3.407 8.461 ( -4.469 7.693 0.000) 8.897 8.573 ( 0.429 -0.102 0.000) 0.441 8.679 ( 0.144 4.568 0.000) 4.570 8.735 ( 3.957 -5.496 0.000) 6.772 8.908 ( -0.165 -1.870 0.000) 1.877 8.938 ( -5.520 -0.957 0.000) 5.603 9.010 ( 0.360 0.616 0.000) 0.714 9.251 ( 2.195 -0.720 0.000) 2.310 9.335 ( -2.036 0.727 0.000) 2.162 9.713 ( 2.034 -0.540 0.000) 2.104 9.720 ( 2.769 1.203 0.000) 3.019 9.806 ( 1.899 -3.617 0.000) 4.086 9.941 ( -1.507 0.900 0.000) 1.755 10.899 ( 3.205 1.108 0.000) 3.391 10.932 ( -6.851 -1.012 0.000) 6.925 11.351 ( 4.093 2.561 0.000) 4.828 11.408 ( -4.393 1.700 0.000) 4.711 11.441 ( 4.485 -2.232 0.000) 5.010 11.499 ( -3.737 -3.049 0.000) 4.823 12.452 ( 1.903 -2.214 0.000) 2.920 12.507 ( -0.176 -1.481 0.000) 1.491 12.516 ( -0.433 0.242 0.000) 0.496 12.750 ( -4.832 5.647 0.000) 7.432 13.097 ( 7.858 -2.399 0.000) 8.216 13.539 ( -10.091 11.302 0.000) 15.151 13.656 ( 2.658 -0.372 0.000) 2.684 13.696 ( 1.771 0.369 0.000) 1.809 13.720 ( 0.197 0.249 0.000) 0.317 13.798 ( 1.366 4.078 0.000) 4.301 14.086 ( 2.909 -9.562 0.000) 9.995 14.239 ( 0.816 -1.805 0.000) 1.981 14.687 ( 8.408 1.671 0.000) 8.573 14.743 ( -11.733 -3.620 0.000) 12.279 15.748 ( 0.772 -1.225 0.000) 1.448 15.816 ( -1.576 0.554 0.000) 1.671 ======================= Grid point 13 (9/75) ======================= q-point: (-0.56 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 0.492 -1.085 0.000) 1.191 1.054 ( -1.390 1.815 0.000) 2.286 1.199 ( -0.579 0.256 0.000) 0.633 1.203 ( -0.134 -0.469 0.000) 0.488 1.525 ( -10.091 5.601 0.000) 11.541 1.592 ( -8.600 -0.954 0.000) 8.652 1.618 ( 9.550 -3.012 0.000) 10.013 1.734 ( -4.313 1.432 0.000) 4.544 1.739 ( 2.308 -0.617 0.000) 2.389 1.772 ( -1.804 -1.121 0.000) 2.124 1.786 ( -0.922 -0.465 0.000) 1.033 1.827 ( 0.529 -1.190 0.000) 1.303 1.835 ( 1.385 -1.388 0.000) 1.960 1.844 ( -1.471 0.375 0.000) 1.518 1.880 ( 0.086 2.430 0.000) 2.431 1.936 ( -2.861 1.695 0.000) 3.325 1.945 ( 7.313 1.079 0.000) 7.392 1.991 ( 3.890 2.247 0.000) 4.492 2.128 ( -1.831 -2.364 0.000) 2.990 2.185 ( 1.853 1.102 0.000) 2.156 2.214 ( 0.008 -2.643 0.000) 2.643 2.285 ( 1.924 0.262 0.000) 1.942 2.429 ( -2.070 1.669 0.000) 2.659 2.439 ( -2.331 4.365 0.000) 4.949 2.583 ( 1.508 -0.643 0.000) 1.640 2.601 ( 1.252 1.021 0.000) 1.615 2.773 ( 3.382 -2.255 0.000) 4.065 2.791 ( -2.958 2.877 0.000) 4.126 2.957 ( -4.874 -2.518 0.000) 5.486 3.076 ( 3.209 0.181 0.000) 3.214 3.395 ( 0.888 1.576 0.000) 1.809 3.401 ( 2.078 1.202 0.000) 2.400 3.646 ( -5.451 -0.573 0.000) 5.481 3.692 ( 1.712 -4.376 0.000) 4.699 3.742 ( -2.206 0.139 0.000) 2.210 3.790 ( -0.531 1.339 0.000) 1.440 3.902 ( -4.099 -0.288 0.000) 4.109 3.978 ( 3.345 0.789 0.000) 3.437 4.021 ( -13.384 -3.215 0.000) 13.765 4.215 ( 3.558 -0.231 0.000) 3.566 4.358 ( -5.253 -1.877 0.000) 5.578 4.371 ( -2.401 -0.900 0.000) 2.564 4.609 ( -7.930 -0.790 0.000) 7.969 4.743 ( 0.996 2.443 0.000) 2.638 4.928 ( -8.396 -0.852 0.000) 8.440 4.985 ( -6.536 -1.093 0.000) 6.626 5.058 ( 1.316 1.702 0.000) 2.151 5.238 ( 13.956 2.329 0.000) 14.149 5.299 ( 0.412 0.091 0.000) 0.422 5.369 ( 9.395 -1.117 0.000) 9.462 5.941 ( -5.029 3.460 0.000) 6.104 5.960 ( 5.447 -2.408 0.000) 5.955 6.306 ( -3.095 -0.368 0.000) 3.117 6.395 ( 5.660 0.812 0.000) 5.718 6.640 ( -3.895 -2.132 0.000) 4.441 6.791 ( 4.464 2.903 0.000) 5.325 6.897 ( -4.246 -0.252 0.000) 4.253 6.957 ( 1.918 0.401 0.000) 1.959 7.166 ( -1.078 -0.850 0.000) 1.373 7.186 ( 0.949 -0.514 0.000) 1.079 7.464 ( -4.062 1.451 0.000) 4.313 7.487 ( 2.689 -1.638 0.000) 3.148 7.688 ( -4.197 0.458 0.000) 4.222 7.718 ( 0.872 -0.275 0.000) 0.915 7.721 ( -3.439 -1.456 0.000) 3.734 7.817 ( 3.649 0.804 0.000) 3.736 8.262 ( 3.042 -4.025 0.000) 5.045 8.322 ( -4.653 4.654 0.000) 6.582 8.567 ( -1.705 -0.518 0.000) 1.782 8.634 ( -1.728 2.858 0.000) 3.339 8.807 ( -8.005 0.162 0.000) 8.006 8.838 ( 1.934 -5.842 0.000) 6.154 8.956 ( 2.200 -2.662 0.000) 3.454 9.017 ( 1.948 2.294 0.000) 3.009 9.294 ( -1.420 1.555 0.000) 2.106 9.310 ( 3.770 -0.444 0.000) 3.796 9.708 ( -2.292 0.108 0.000) 2.295 9.739 ( 0.000 1.195 0.000) 1.195 9.865 ( 0.585 -3.752 0.000) 3.798 9.900 ( -1.661 1.642 0.000) 2.336 10.846 ( -3.613 -1.737 0.000) 4.009 10.972 ( 5.861 1.124 0.000) 5.968 11.308 ( -5.411 -0.107 0.000) 5.412 11.399 ( 2.618 0.974 0.000) 2.793 11.452 ( -3.876 -1.370 0.000) 4.111 11.547 ( 6.114 -0.489 0.000) 6.134 12.493 ( 0.735 -0.981 0.000) 1.226 12.507 ( -0.178 0.683 0.000) 0.706 12.548 ( 2.408 -4.926 0.000) 5.483 12.633 ( -3.277 5.362 0.000) 6.284 13.253 ( 5.553 -4.999 0.000) 7.472 13.256 ( -12.357 6.630 0.000) 14.023 13.690 ( 0.603 -0.533 0.000) 0.805 13.693 ( -2.038 1.848 0.000) 2.751 13.717 ( 0.013 0.103 0.000) 0.104 13.791 ( 1.686 5.382 0.000) 5.640 14.233 ( 7.480 -3.140 0.000) 8.112 14.254 ( -0.408 0.291 0.000) 0.501 14.584 ( -7.777 -4.309 0.000) 8.891 14.830 ( 8.482 1.127 0.000) 8.557 15.792 ( 3.136 -0.723 0.000) 3.218 15.798 ( 0.450 1.443 0.000) 1.512 ======================= Grid point 14 (10/75) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( -3.481 3.096 0.000) 4.659 1.041 ( -1.173 -0.697 0.000) 1.364 1.164 ( -3.205 3.483 0.000) 4.733 1.189 ( -2.209 -1.207 0.000) 2.517 1.299 ( -7.951 5.528 0.000) 9.684 1.412 ( -9.870 -0.329 0.000) 9.876 1.588 ( -6.735 4.633 0.000) 8.174 1.695 ( -4.101 2.069 0.000) 4.594 1.749 ( -2.909 -5.292 0.000) 6.039 1.774 ( -3.437 3.200 0.000) 4.696 1.792 ( -0.256 0.352 0.000) 0.436 1.796 ( 4.006 -2.102 0.000) 4.524 1.847 ( 0.127 0.588 0.000) 0.602 1.879 ( 1.868 -2.646 0.000) 3.239 1.891 ( 1.822 -3.942 0.000) 4.343 1.938 ( 3.090 -0.629 0.000) 3.154 2.048 ( 4.279 4.157 0.000) 5.966 2.070 ( 3.349 1.011 0.000) 3.498 2.113 ( -0.589 0.570 0.000) 0.820 2.169 ( -1.755 2.477 0.000) 3.035 2.217 ( -9.827 8.919 0.000) 13.271 2.247 ( 0.808 -3.034 0.000) 3.140 2.341 ( 2.419 1.544 0.000) 2.869 2.349 ( -4.626 1.671 0.000) 4.919 2.531 ( -5.335 2.733 0.000) 5.995 2.625 ( 1.676 2.580 0.000) 3.076 2.725 ( -1.826 0.432 0.000) 1.876 2.879 ( 5.290 -3.468 0.000) 6.325 2.925 ( -0.722 -2.542 0.000) 2.642 3.108 ( 0.284 -0.622 0.000) 0.684 3.388 ( -0.132 2.416 0.000) 2.420 3.395 ( -1.754 2.198 0.000) 2.812 3.537 ( -6.907 -0.908 0.000) 6.966 3.595 ( -17.036 -1.979 0.000) 17.150 3.671 ( -8.844 -1.417 0.000) 8.956 3.791 ( 0.783 -0.121 0.000) 0.792 3.862 ( 3.418 -4.097 0.000) 5.335 3.918 ( -2.489 -4.363 0.000) 5.023 4.037 ( 4.123 1.808 0.000) 4.502 4.211 ( -11.035 -6.393 0.000) 12.753 4.230 ( -1.724 -1.686 0.000) 2.411 4.335 ( -3.044 -2.388 0.000) 3.869 4.511 ( -2.668 1.107 0.000) 2.889 4.720 ( -1.424 1.861 0.000) 2.343 4.784 ( -8.373 -1.537 0.000) 8.513 4.903 ( -3.542 0.644 0.000) 3.600 5.030 ( -1.825 2.797 0.000) 3.340 5.334 ( 2.452 0.444 0.000) 2.492 5.433 ( 9.023 0.722 0.000) 9.052 5.568 ( 10.394 0.625 0.000) 10.413 5.827 ( -4.227 3.545 0.000) 5.517 6.065 ( 3.829 -1.921 0.000) 4.284 6.248 ( -2.696 0.846 0.000) 2.826 6.496 ( 6.482 2.626 0.000) 6.994 6.595 ( -2.151 -0.766 0.000) 2.284 6.798 ( -7.162 -0.010 0.000) 7.162 6.837 ( 2.672 1.991 0.000) 3.332 6.971 ( -0.459 -0.164 0.000) 0.488 7.160 ( -0.899 -1.135 0.000) 1.448 7.248 ( 4.964 -1.903 0.000) 5.316 7.397 ( -1.843 0.340 0.000) 1.874 7.483 ( -3.681 0.723 0.000) 3.752 7.607 ( -3.510 -0.230 0.000) 3.517 7.711 ( -1.464 0.693 0.000) 1.620 7.723 ( 1.209 -4.107 0.000) 4.281 7.853 ( 0.530 0.452 0.000) 0.696 8.230 ( -2.742 2.751 0.000) 3.884 8.345 ( 2.024 -4.400 0.000) 4.843 8.521 ( -4.644 -4.002 0.000) 6.130 8.580 ( -2.958 0.896 0.000) 3.090 8.655 ( -7.906 -1.123 0.000) 7.986 8.895 ( 0.637 -4.077 0.000) 4.127 9.030 ( 4.036 -1.506 0.000) 4.308 9.051 ( 3.204 1.611 0.000) 3.587 9.257 ( -1.381 1.751 0.000) 2.230 9.387 ( 4.420 0.895 0.000) 4.510 9.645 ( -4.233 -0.289 0.000) 4.243 9.687 ( -4.527 1.738 0.000) 4.849 9.883 ( -1.188 -3.219 0.000) 3.432 9.883 ( 2.495 2.275 0.000) 3.376 10.823 ( -0.808 -1.960 0.000) 2.120 11.087 ( 6.943 0.475 0.000) 6.959 11.216 ( -5.412 -1.455 0.000) 5.604 11.371 ( -5.757 -0.652 0.000) 5.794 11.440 ( 2.696 0.065 0.000) 2.697 11.668 ( 7.497 1.686 0.000) 7.685 12.488 ( -1.016 2.409 0.000) 2.615 12.510 ( 0.477 -0.993 0.000) 1.102 12.557 ( -1.173 2.775 0.000) 3.013 12.653 ( 3.603 -7.457 0.000) 8.282 13.004 ( -10.844 3.397 0.000) 11.363 13.348 ( -1.245 -6.742 0.000) 6.856 13.606 ( -5.882 1.421 0.000) 6.051 13.686 ( -1.315 -0.482 0.000) 1.401 13.700 ( -2.481 -1.059 0.000) 2.698 13.766 ( -0.206 4.662 0.000) 4.667 14.209 ( -4.043 -0.522 0.000) 4.077 14.388 ( 9.655 5.007 0.000) 10.876 14.562 ( 3.376 0.037 0.000) 3.376 14.993 ( 10.242 -0.257 0.000) 10.245 15.809 ( 2.164 2.273 0.000) 3.139 15.868 ( 4.801 0.352 0.000) 4.814 ======================= Grid point 15 (11/75) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( -10.018 6.997 0.000) 12.220 0.901 ( -10.614 11.042 0.000) 15.316 1.079 ( -1.333 -0.225 0.000) 1.352 1.151 ( -3.157 -3.200 0.000) 4.495 1.210 ( -1.823 0.368 0.000) 1.860 1.267 ( -6.056 0.277 0.000) 6.062 1.449 ( -3.365 5.904 0.000) 6.796 1.588 ( -7.110 4.678 0.000) 8.511 1.651 ( -13.706 11.479 0.000) 17.878 1.666 ( -4.551 5.365 0.000) 7.035 1.753 ( -10.137 -1.716 0.000) 10.281 1.793 ( -2.015 -0.443 0.000) 2.063 1.804 ( -0.488 1.217 0.000) 1.311 1.881 ( 0.523 -2.822 0.000) 2.870 1.954 ( 1.862 -2.263 0.000) 2.931 1.959 ( 2.908 0.001 0.000) 2.908 2.011 ( 1.820 -1.995 0.000) 2.700 2.101 ( 1.493 1.160 0.000) 1.891 2.112 ( 1.191 0.450 0.000) 1.273 2.117 ( -0.666 3.252 0.000) 3.319 2.224 ( 4.841 -0.981 0.000) 4.939 2.239 ( -2.057 2.560 0.000) 3.284 2.303 ( -0.141 -4.042 0.000) 4.044 2.384 ( -6.821 4.319 0.000) 8.073 2.389 ( 3.709 2.020 0.000) 4.224 2.606 ( -0.193 2.529 0.000) 2.537 2.735 ( 1.506 -1.054 0.000) 1.838 2.953 ( 1.452 -1.554 0.000) 2.127 2.997 ( 3.320 -3.495 0.000) 4.820 3.118 ( 0.295 -3.445 0.000) 3.458 3.255 ( -16.259 -1.488 0.000) 16.327 3.320 ( -9.310 -0.598 0.000) 9.329 3.368 ( 0.223 0.833 0.000) 0.862 3.417 ( -6.996 -1.546 0.000) 7.165 3.467 ( -11.421 -0.350 0.000) 11.426 3.809 ( 0.884 -0.073 0.000) 0.887 3.908 ( -4.115 -9.598 0.000) 10.443 3.991 ( 6.499 1.035 0.000) 6.580 4.069 ( -0.097 1.069 0.000) 1.073 4.169 ( 0.754 -7.737 0.000) 7.773 4.203 ( -3.718 -2.342 0.000) 4.394 4.312 ( 0.874 0.288 0.000) 0.920 4.449 ( -3.135 2.781 0.000) 4.191 4.655 ( -7.429 -2.323 0.000) 7.784 4.670 ( -2.580 1.508 0.000) 2.988 4.823 ( -4.212 2.096 0.000) 4.705 4.955 ( -3.889 3.002 0.000) 4.913 5.357 ( 0.184 0.518 0.000) 0.549 5.566 ( 6.009 -0.427 0.000) 6.024 5.718 ( 7.622 2.329 0.000) 7.970 5.744 ( -2.027 2.826 0.000) 3.478 6.118 ( 0.515 -1.190 0.000) 1.296 6.215 ( 0.511 1.408 0.000) 1.497 6.519 ( -2.450 0.245 0.000) 2.462 6.626 ( 3.310 3.628 0.000) 4.911 6.643 ( -5.710 1.995 0.000) 6.048 6.855 ( -0.481 -0.941 0.000) 1.057 6.929 ( -4.645 -0.277 0.000) 4.653 7.140 ( -1.513 0.072 0.000) 1.515 7.371 ( 5.090 -2.190 0.000) 5.541 7.407 ( 2.990 -1.316 0.000) 3.266 7.421 ( -1.284 0.746 0.000) 1.485 7.538 ( -4.087 0.050 0.000) 4.087 7.662 ( -2.743 1.307 0.000) 3.039 7.805 ( 2.899 -5.377 0.000) 6.109 7.834 ( -2.282 -0.091 0.000) 2.284 8.151 ( -4.374 2.251 0.000) 4.919 8.371 ( -3.384 -1.316 0.000) 3.631 8.485 ( -4.403 -1.520 0.000) 4.658 8.502 ( -1.951 -9.039 0.000) 9.247 8.607 ( -1.416 -4.862 0.000) 5.064 8.943 ( 1.942 -2.696 0.000) 3.323 9.086 ( 1.043 1.060 0.000) 1.487 9.117 ( 4.397 -0.494 0.000) 4.425 9.209 ( -2.762 1.117 0.000) 2.979 9.447 ( 3.575 2.533 0.000) 4.381 9.562 ( -7.072 1.978 0.000) 7.343 9.584 ( -1.704 0.063 0.000) 1.706 9.876 ( -1.734 -2.839 0.000) 3.327 9.987 ( 10.614 1.602 0.000) 10.734 10.838 ( 0.845 -1.608 0.000) 1.816 11.130 ( -5.945 -2.756 0.000) 6.552 11.196 ( 4.527 -0.524 0.000) 4.557 11.258 ( -6.949 -0.938 0.000) 7.012 11.513 ( 6.062 0.795 0.000) 6.114 11.783 ( 7.056 3.484 0.000) 7.869 12.443 ( -1.204 2.675 0.000) 2.934 12.527 ( 0.364 -1.348 0.000) 1.397 12.540 ( 0.219 0.934 0.000) 0.960 12.771 ( -0.960 -4.779 0.000) 4.875 12.832 ( -3.622 -4.856 0.000) 6.058 13.266 ( -13.013 -5.251 0.000) 14.033 13.467 ( -8.169 0.362 0.000) 8.177 13.637 ( -7.100 -4.721 0.000) 8.526 13.659 ( -1.711 -0.157 0.000) 1.718 13.742 ( 0.154 -0.203 0.000) 0.255 14.139 ( -2.284 3.266 0.000) 3.985 14.484 ( 7.885 12.422 0.000) 14.713 14.672 ( 8.497 2.079 0.000) 8.748 15.216 ( 14.694 1.293 0.000) 14.751 15.838 ( 3.070 2.798 0.000) 4.154 15.951 ( 4.789 1.647 0.000) 5.064 ======================= Grid point 16 (12/75) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.551 ( -12.439 11.780 0.000) 17.132 0.583 ( -13.108 14.005 0.000) 19.182 1.006 ( -15.647 13.733 0.000) 20.819 1.103 ( -3.866 6.475 0.000) 7.542 1.124 ( -3.021 -2.071 0.000) 3.663 1.185 ( -2.001 -0.160 0.000) 2.008 1.248 ( -0.844 4.154 0.000) 4.238 1.377 ( -0.366 4.807 0.000) 4.821 1.499 ( -5.971 1.565 0.000) 6.173 1.537 ( -3.832 7.027 0.000) 8.003 1.596 ( -6.328 3.596 0.000) 7.279 1.785 ( -0.329 1.680 0.000) 1.712 1.807 ( -0.844 -4.540 0.000) 4.618 1.896 ( -0.564 -1.223 0.000) 1.347 1.980 ( -0.184 -1.192 0.000) 1.206 2.003 ( 1.824 1.465 0.000) 2.339 2.036 ( 0.173 -1.610 0.000) 1.619 2.093 ( -0.207 -1.699 0.000) 1.711 2.107 ( -1.129 -0.032 0.000) 1.129 2.127 ( 1.139 1.370 0.000) 1.781 2.243 ( -3.832 4.034 0.000) 5.564 2.247 ( 2.329 -0.389 0.000) 2.362 2.304 ( 2.958 -1.109 0.000) 3.159 2.336 ( 0.141 -3.180 0.000) 3.184 2.436 ( 2.894 2.091 0.000) 3.571 2.619 ( 3.607 0.693 0.000) 3.673 2.768 ( 0.489 -1.895 0.000) 1.957 2.941 ( -6.867 -1.350 0.000) 6.999 3.001 ( -10.881 -1.568 0.000) 10.993 3.019 ( -1.117 -0.618 0.000) 1.276 3.186 ( 1.025 -6.580 0.000) 6.659 3.196 ( -1.674 0.051 0.000) 1.674 3.317 ( -4.749 -1.660 0.000) 5.031 3.340 ( -1.356 1.784 0.000) 2.241 3.428 ( 5.354 -4.162 0.000) 6.781 3.827 ( 1.568 0.489 0.000) 1.642 3.892 ( -7.533 -13.589 0.000) 15.537 4.022 ( -5.485 -2.259 0.000) 5.932 4.100 ( 7.459 2.338 0.000) 7.817 4.131 ( -4.403 -1.634 0.000) 4.696 4.296 ( 6.024 -5.137 0.000) 7.917 4.350 ( 4.670 7.053 0.000) 8.459 4.359 ( -3.355 4.034 0.000) 5.247 4.530 ( -8.030 -0.494 0.000) 8.045 4.602 ( -3.079 2.391 0.000) 3.899 4.734 ( -3.664 1.055 0.000) 3.813 4.859 ( -3.901 1.437 0.000) 4.158 5.335 ( -1.910 0.442 0.000) 1.960 5.664 ( 4.002 -1.070 0.000) 4.142 5.709 ( 0.197 2.044 0.000) 2.053 5.820 ( 6.049 3.617 0.000) 7.048 6.101 ( -2.619 -0.192 0.000) 2.626 6.248 ( 3.791 1.396 0.000) 4.039 6.461 ( -4.686 0.433 0.000) 4.706 6.485 ( -4.496 0.676 0.000) 4.546 6.698 ( 4.378 5.299 0.000) 6.874 6.807 ( -6.187 -0.897 0.000) 6.252 6.836 ( -6.148 -3.840 0.000) 7.249 7.121 ( 0.573 2.256 0.000) 2.328 7.419 ( 0.842 0.370 0.000) 0.920 7.449 ( 2.787 -2.448 0.000) 3.709 7.470 ( -2.969 -0.041 0.000) 2.970 7.496 ( 3.365 -0.836 0.000) 3.467 7.610 ( -0.937 1.614 0.000) 1.866 7.774 ( -4.144 0.030 0.000) 4.144 7.895 ( 2.212 -5.256 0.000) 5.702 8.054 ( -3.999 0.741 0.000) 4.067 8.266 ( -5.993 -0.104 0.000) 5.994 8.475 ( 0.086 -1.656 0.000) 1.658 8.584 ( 1.284 -11.203 0.000) 11.276 8.607 ( -5.676 -7.627 0.000) 9.507 8.998 ( 1.979 -1.607 0.000) 2.549 9.068 ( -1.624 0.854 0.000) 1.835 9.141 ( -3.884 -0.768 0.000) 3.959 9.196 ( 4.055 0.720 0.000) 4.118 9.421 ( -6.595 0.901 0.000) 6.657 9.480 ( 2.215 2.578 0.000) 3.399 9.587 ( 1.623 0.706 0.000) 1.770 9.873 ( -0.027 -0.845 0.000) 0.846 10.223 ( 14.208 0.216 0.000) 14.209 10.877 ( 2.380 -1.108 0.000) 2.626 11.038 ( -6.385 -2.603 0.000) 6.895 11.155 ( -5.648 -3.704 0.000) 6.755 11.258 ( 1.957 -1.029 0.000) 2.210 11.644 ( 9.192 1.957 0.000) 9.398 11.862 ( 4.940 4.926 0.000) 6.977 12.413 ( -0.375 1.479 0.000) 1.525 12.538 ( -1.100 -2.394 0.000) 2.634 12.540 ( 0.335 0.667 0.000) 0.747 12.663 ( -6.223 0.053 0.000) 6.223 12.970 ( 3.699 -14.484 0.000) 14.949 13.011 ( -15.426 -2.090 0.000) 15.567 13.325 ( -7.127 -0.915 0.000) 7.186 13.503 ( -13.603 -8.357 0.000) 15.965 13.633 ( -1.048 0.026 0.000) 1.049 13.764 ( 0.525 -2.741 0.000) 2.791 14.073 ( -0.839 6.634 0.000) 6.687 14.477 ( 3.751 16.893 0.000) 17.304 14.803 ( 6.515 1.652 0.000) 6.721 15.506 ( 19.851 5.172 0.000) 20.514 15.873 ( 3.353 3.036 0.000) 4.524 16.006 ( 2.842 2.529 0.000) 3.804 ======================= Grid point 17 (13/75) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.266 ( -0.000 17.130 0.000) 17.130 0.284 ( -0.000 17.756 0.000) 17.756 0.568 ( -0.000 35.554 0.000) 35.554 1.085 ( 0.000 -0.097 0.000) 0.097 1.087 ( -0.000 1.161 0.000) 1.161 1.188 ( 0.000 -2.837 0.000) 2.837 1.280 ( 0.000 -2.185 0.000) 2.185 1.349 ( -0.000 2.696 0.000) 2.696 1.391 ( -0.000 1.496 0.000) 1.496 1.441 ( -0.000 7.028 0.000) 7.028 1.509 ( -0.000 5.179 0.000) 5.179 1.769 ( -0.000 1.470 0.000) 1.470 1.824 ( 0.000 -3.200 0.000) 3.200 1.892 ( 0.000 -0.103 0.000) 0.103 1.987 ( 0.000 -1.379 0.000) 1.379 2.005 ( -0.000 1.656 0.000) 1.656 2.043 ( 0.000 -0.635 0.000) 0.635 2.104 ( 0.000 -1.250 0.000) 1.250 2.107 ( 0.000 -2.286 0.000) 2.286 2.130 ( -0.000 0.445 0.000) 0.445 2.172 ( -0.000 3.754 0.000) 3.754 2.286 ( 0.000 -0.949 0.000) 0.949 2.345 ( 0.000 -1.379 0.000) 1.379 2.358 ( 0.000 -2.367 0.000) 2.367 2.450 ( -0.000 2.085 0.000) 2.085 2.727 ( 0.000 -0.194 0.000) 0.194 2.741 ( 0.000 -4.193 0.000) 4.193 2.845 ( -0.000 0.903 0.000) 0.903 2.875 ( -0.000 0.625 0.000) 0.625 3.009 ( 0.000 -0.384 0.000) 0.384 3.199 ( -0.000 0.604 0.000) 0.604 3.235 ( 0.000 -4.478 0.000) 4.478 3.283 ( 0.000 -1.528 0.000) 1.528 3.407 ( 0.000 -0.549 0.000) 0.549 3.555 ( 0.000 -7.005 0.000) 7.005 3.865 ( 0.000 -13.707 0.000) 13.707 3.865 ( -0.000 0.161 0.000) 0.161 3.941 ( 0.000 -2.897 0.000) 2.897 4.101 ( 0.000 -1.033 0.000) 1.033 4.213 ( 0.000 -0.896 0.000) 0.896 4.262 ( -0.000 10.624 0.000) 10.624 4.326 ( -0.000 10.710 0.000) 10.710 4.400 ( 0.000 -0.829 0.000) 0.829 4.441 ( 0.000 -5.354 0.000) 5.354 4.547 ( -0.000 2.173 0.000) 2.173 4.671 ( -0.000 2.203 0.000) 2.203 4.818 ( 0.000 -0.070 0.000) 0.070 5.304 ( -0.000 0.295 0.000) 0.295 5.706 ( -0.000 1.587 0.000) 1.587 5.714 ( 0.000 -1.402 0.000) 1.402 5.858 ( -0.000 3.845 0.000) 3.845 6.063 ( -0.000 0.096 0.000) 0.096 6.296 ( -0.000 0.281 0.000) 0.281 6.394 ( -0.000 0.410 0.000) 0.410 6.455 ( -0.000 0.223 0.000) 0.223 6.703 ( -0.000 3.857 0.000) 3.857 6.730 ( 0.000 -0.172 0.000) 0.172 6.739 ( -0.000 0.028 0.000) 0.028 7.116 ( -0.000 2.503 0.000) 2.503 7.429 ( -0.000 0.222 0.000) 0.222 7.438 ( -0.000 0.022 0.000) 0.022 7.504 ( 0.000 -3.222 0.000) 3.222 7.516 ( 0.000 -0.109 0.000) 0.109 7.606 ( -0.000 2.809 0.000) 2.809 7.718 ( 0.000 -0.220 0.000) 0.220 7.955 ( 0.000 -4.183 0.000) 4.183 8.014 ( -0.000 0.043 0.000) 0.043 8.205 ( 0.000 -0.261 0.000) 0.261 8.488 ( 0.000 -0.728 0.000) 0.728 8.504 ( -0.000 0.182 0.000) 0.182 8.682 ( 0.000 -9.559 0.000) 9.559 9.029 ( 0.000 -0.004 0.000) 0.004 9.041 ( -0.000 0.078 0.000) 0.078 9.104 ( 0.000 -0.731 0.000) 0.731 9.248 ( 0.000 -0.267 0.000) 0.267 9.340 ( 0.000 -0.213 0.000) 0.213 9.484 ( -0.000 1.998 0.000) 1.998 9.601 ( -0.000 0.692 0.000) 0.692 9.882 ( -0.000 0.206 0.000) 0.206 10.382 ( -0.000 0.101 0.000) 0.101 10.946 ( 0.000 -1.792 0.000) 1.792 10.949 ( 0.000 -0.109 0.000) 0.109 11.139 ( 0.000 -6.022 0.000) 6.022 11.291 ( 0.000 -1.511 0.000) 1.511 11.780 ( 0.000 -2.356 0.000) 2.356 11.892 ( -0.000 4.238 0.000) 4.238 12.402 ( -0.000 0.808 0.000) 0.808 12.487 ( -0.000 0.066 0.000) 0.066 12.539 ( -0.000 0.496 0.000) 0.496 12.596 ( -0.000 1.105 0.000) 1.105 12.850 ( -0.000 0.090 0.000) 0.090 13.143 ( 0.000 -16.886 0.000) 16.886 13.246 ( 0.000 -0.020 0.000) 0.020 13.325 ( -0.000 0.053 0.000) 0.053 13.623 ( -0.000 0.059 0.000) 0.059 13.794 ( 0.000 -3.525 0.000) 3.525 14.011 ( -0.000 6.981 0.000) 6.981 14.374 ( -0.000 17.130 0.000) 17.130 14.856 ( -0.000 1.195 0.000) 1.195 15.755 ( 0.000 -0.965 0.000) 0.965 15.942 ( 0.000 -1.337 0.000) 1.337 16.013 ( -0.000 2.260 0.000) 2.260 ======================= Grid point 20 (14/75) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 2.530 -0.000 0.000) 2.530 1.096 ( -0.586 0.000 0.000) 0.586 1.183 ( 2.503 -0.000 0.000) 2.503 1.209 ( -0.786 0.000 0.000) 0.786 1.333 ( 13.627 -0.000 0.000) 13.627 1.609 ( 9.078 -0.000 0.000) 9.078 1.691 ( 8.253 -0.000 0.000) 8.253 1.732 ( -5.966 0.000 0.000) 5.966 1.746 ( 3.609 -0.000 0.000) 3.609 1.769 ( -6.033 0.000 0.000) 6.033 1.775 ( 2.455 -0.000 0.000) 2.455 1.816 ( -3.901 0.000 0.000) 3.901 1.831 ( 0.715 -0.000 0.000) 0.715 1.859 ( -2.150 0.000 0.000) 2.150 1.881 ( 4.089 -0.000 0.000) 4.089 1.932 ( -3.254 0.000 0.000) 3.254 2.024 ( -1.570 0.000 0.000) 1.570 2.050 ( -5.516 0.000 0.000) 5.516 2.117 ( -5.223 0.000 0.000) 5.223 2.152 ( 3.679 -0.000 0.000) 3.679 2.191 ( 1.722 -0.000 0.000) 1.722 2.213 ( 2.332 -0.000 0.000) 2.332 2.364 ( 15.881 -0.000 0.000) 15.881 2.447 ( 3.805 -0.000 0.000) 3.805 2.498 ( -2.159 0.000 0.000) 2.159 2.559 ( 4.153 -0.000 0.000) 4.153 2.728 ( -0.397 0.000 0.000) 0.397 2.933 ( -5.412 0.000 0.000) 5.412 2.985 ( -3.931 0.000 0.000) 3.931 3.019 ( 3.298 -0.000 0.000) 3.298 3.364 ( 2.383 -0.000 0.000) 2.383 3.389 ( 1.324 -0.000 0.000) 1.324 3.614 ( 2.444 -0.000 0.000) 2.444 3.701 ( -1.640 0.000 0.000) 1.640 3.777 ( -1.465 0.000 0.000) 1.465 3.852 ( -2.207 0.000 0.000) 2.207 3.897 ( 7.865 -0.000 0.000) 7.865 3.952 ( -2.863 0.000 0.000) 2.863 4.120 ( 6.291 -0.000 0.000) 6.291 4.211 ( -8.707 0.000 0.000) 8.707 4.385 ( 0.012 -0.000 0.000) 0.012 4.402 ( -1.292 0.000 0.000) 1.292 4.702 ( -1.904 0.000 0.000) 1.904 4.720 ( 7.493 -0.000 0.000) 7.493 4.978 ( 0.551 -0.000 0.000) 0.551 4.988 ( 7.720 -0.000 0.000) 7.720 5.005 ( 12.589 -0.000 0.000) 12.589 5.186 ( -15.554 0.000 0.000) 15.554 5.264 ( -0.051 0.000 0.000) 0.051 5.358 ( -6.882 0.000 0.000) 6.882 5.828 ( 4.970 -0.000 0.000) 4.970 6.073 ( -4.125 0.000 0.000) 4.125 6.298 ( 5.160 -0.000 0.000) 5.160 6.342 ( -2.918 0.000 0.000) 2.918 6.688 ( -4.579 0.000 0.000) 4.579 6.737 ( 5.749 -0.000 0.000) 5.749 6.900 ( 5.056 -0.000 0.000) 5.056 6.965 ( -3.162 0.000 0.000) 3.162 7.194 ( -1.175 0.000 0.000) 1.175 7.206 ( -4.150 0.000 0.000) 4.150 7.414 ( 2.023 -0.000 0.000) 2.023 7.526 ( 0.769 -0.000 0.000) 0.769 7.676 ( 2.828 -0.000 0.000) 2.828 7.706 ( 0.270 -0.000 0.000) 0.270 7.781 ( 0.403 -0.000 0.000) 0.403 7.813 ( -4.482 0.000 0.000) 4.482 8.166 ( 2.086 -0.000 0.000) 2.086 8.526 ( -7.769 0.000 0.000) 7.769 8.625 ( 4.393 -0.000 0.000) 4.393 8.635 ( 1.295 -0.000 0.000) 1.295 8.722 ( -0.654 0.000 0.000) 0.654 8.883 ( 0.036 -0.000 0.000) 0.036 8.934 ( -5.814 0.000 0.000) 5.814 9.014 ( 1.396 -0.000 0.000) 1.396 9.246 ( 2.397 -0.000 0.000) 2.397 9.341 ( -1.705 0.000 0.000) 1.705 9.708 ( 2.628 -0.000 0.000) 2.628 9.740 ( 4.060 -0.000 0.000) 4.060 9.767 ( 0.641 -0.000 0.000) 0.641 9.947 ( -1.809 0.000 0.000) 1.809 10.907 ( 3.137 -0.000 0.000) 3.137 10.924 ( -6.990 0.000 0.000) 6.990 11.388 ( 2.538 -0.000 0.000) 2.538 11.406 ( 5.814 -0.000 0.000) 5.814 11.434 ( -6.983 0.000 0.000) 6.983 11.461 ( -0.970 0.000 0.000) 0.970 12.434 ( 1.978 -0.000 0.000) 1.978 12.496 ( -0.392 0.000 0.000) 0.392 12.517 ( -0.430 0.000 0.000) 0.430 12.797 ( -5.647 0.000 0.000) 5.647 13.079 ( 7.561 -0.000 0.000) 7.561 13.634 ( -14.277 0.000 0.000) 14.277 13.653 ( 2.576 -0.000 0.000) 2.576 13.720 ( 0.452 -0.000 0.000) 0.452 13.730 ( 1.822 -0.000 0.000) 1.822 13.836 ( 1.655 -0.000 0.000) 1.655 13.978 ( 7.507 -0.000 0.000) 7.507 14.221 ( 2.103 -0.000 0.000) 2.103 14.700 ( 8.206 -0.000 0.000) 8.206 14.710 ( -12.203 0.000 0.000) 12.203 15.739 ( 1.061 -0.000 0.000) 1.061 15.821 ( -1.329 0.000 0.000) 1.329 ======================= Grid point 21 (15/75) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( 0.518 -0.373 0.000) 0.638 1.076 ( -1.202 0.883 0.000) 1.491 1.196 ( -0.375 -0.350 0.000) 0.513 1.201 ( -0.070 0.069 0.000) 0.098 1.574 ( 3.840 -1.037 0.000) 3.977 1.592 ( -1.375 -0.419 0.000) 1.437 1.599 ( -7.760 3.448 0.000) 8.492 1.724 ( -4.415 -1.939 0.000) 4.822 1.734 ( 1.308 -1.050 0.000) 1.677 1.753 ( -3.110 1.072 0.000) 3.289 1.794 ( 0.895 -1.752 0.000) 1.968 1.800 ( -0.031 0.785 0.000) 0.785 1.819 ( 1.512 -0.647 0.000) 1.644 1.861 ( -2.763 0.820 0.000) 2.883 1.924 ( -1.622 2.042 0.000) 2.608 1.944 ( 6.410 -0.242 0.000) 6.414 1.972 ( -0.736 3.408 0.000) 3.486 2.038 ( 4.573 2.175 0.000) 5.063 2.059 ( -1.869 -5.419 0.000) 5.732 2.199 ( -0.304 -0.082 0.000) 0.315 2.214 ( 3.285 2.585 0.000) 4.180 2.262 ( 2.281 -2.575 0.000) 3.440 2.452 ( -2.536 0.985 0.000) 2.720 2.507 ( 2.683 3.473 0.000) 4.389 2.569 ( 4.552 -0.804 0.000) 4.622 2.599 ( 0.586 -0.971 0.000) 1.134 2.750 ( 3.251 -0.707 0.000) 3.327 2.833 ( -4.475 2.254 0.000) 5.011 2.917 ( -4.541 -2.159 0.000) 5.028 3.076 ( 2.459 -0.050 0.000) 2.459 3.414 ( 1.693 0.753 0.000) 1.853 3.421 ( 3.844 0.985 0.000) 3.968 3.632 ( -1.039 -2.555 0.000) 2.758 3.636 ( -5.462 -0.513 0.000) 5.486 3.750 ( -1.618 0.475 0.000) 1.687 3.807 ( -1.793 0.663 0.000) 1.912 3.898 ( -3.649 -0.211 0.000) 3.655 3.979 ( -16.069 -1.666 0.000) 16.155 3.987 ( 3.866 0.356 0.000) 3.882 4.213 ( 2.561 -0.052 0.000) 2.561 4.337 ( -7.248 -0.734 0.000) 7.285 4.359 ( -3.508 -0.486 0.000) 3.541 4.605 ( -7.451 0.035 0.000) 7.451 4.773 ( 0.383 1.127 0.000) 1.190 4.922 ( -7.182 -0.127 0.000) 7.183 4.970 ( -6.453 -0.660 0.000) 6.487 5.077 ( 1.881 0.667 0.000) 1.995 5.278 ( 14.697 2.579 0.000) 14.922 5.299 ( 0.555 -0.053 0.000) 0.558 5.340 ( 8.544 -2.232 0.000) 8.830 5.934 ( 5.996 -0.875 0.000) 6.059 5.982 ( -5.004 1.545 0.000) 5.238 6.299 ( -2.368 -0.354 0.000) 2.394 6.403 ( 6.683 0.276 0.000) 6.689 6.617 ( -3.391 -0.807 0.000) 3.486 6.824 ( 4.049 1.215 0.000) 4.227 6.894 ( -4.577 -0.112 0.000) 4.578 6.965 ( 2.241 0.392 0.000) 2.275 7.155 ( -1.666 -0.470 0.000) 1.731 7.180 ( 0.248 -0.173 0.000) 0.302 7.467 ( 3.037 -0.775 0.000) 3.134 7.481 ( -4.240 0.579 0.000) 4.279 7.691 ( -2.370 -0.013 0.000) 2.370 7.706 ( -6.186 -0.353 0.000) 6.196 7.714 ( 1.152 -0.197 0.000) 1.169 7.828 ( 3.605 0.437 0.000) 3.632 8.221 ( 3.236 -1.308 0.000) 3.490 8.369 ( -7.697 1.274 0.000) 7.802 8.605 ( -1.215 4.971 0.000) 5.117 8.672 ( -3.486 1.617 0.000) 3.843 8.733 ( 2.124 -7.009 0.000) 7.323 8.805 ( -8.399 -0.222 0.000) 8.402 8.920 ( 3.076 -1.470 0.000) 3.409 9.042 ( 1.972 0.867 0.000) 2.155 9.307 ( 4.343 -0.059 0.000) 4.344 9.312 ( -1.235 0.646 0.000) 1.394 9.710 ( -2.351 0.095 0.000) 2.353 9.763 ( 0.025 1.904 0.000) 1.904 9.809 ( 0.759 -3.174 0.000) 3.264 9.914 ( -1.173 0.356 0.000) 1.225 10.826 ( -3.779 -0.703 0.000) 3.844 10.984 ( 5.469 0.407 0.000) 5.484 11.312 ( -6.123 0.342 0.000) 6.133 11.416 ( 1.482 0.853 0.000) 1.710 11.430 ( -3.229 -1.010 0.000) 3.384 11.532 ( 7.292 -0.889 0.000) 7.346 12.481 ( 2.224 -0.465 0.000) 2.272 12.498 ( 0.666 -1.528 0.000) 1.667 12.513 ( 0.007 0.126 0.000) 0.126 12.696 ( -4.479 2.288 0.000) 5.029 13.206 ( 5.406 -1.364 0.000) 5.575 13.334 ( -15.387 2.829 0.000) 15.645 13.684 ( 0.586 -0.213 0.000) 0.623 13.703 ( -2.452 0.121 0.000) 2.455 13.749 ( 0.611 2.380 0.000) 2.457 13.876 ( 4.120 4.212 0.000) 5.892 14.178 ( 12.406 -2.806 0.000) 12.719 14.231 ( -4.051 -2.072 0.000) 4.550 14.532 ( -5.383 -1.974 0.000) 5.734 14.838 ( 7.027 0.151 0.000) 7.028 15.784 ( 3.769 -0.274 0.000) 3.779 15.814 ( 0.795 0.547 0.000) 0.965 ======================= Grid point 22 (16/75) ======================= q-point: (-0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -0.378 -0.634 0.000) 0.738 1.037 ( -2.001 2.044 0.000) 2.860 1.174 ( -2.758 -0.733 0.000) 2.854 1.198 ( -0.085 1.175 0.000) 1.178 1.404 ( -8.799 7.569 0.000) 11.607 1.410 ( -9.433 0.029 0.000) 9.433 1.652 ( -5.416 -6.895 0.000) 8.768 1.658 ( -4.726 4.080 0.000) 6.243 1.729 ( -2.314 2.247 0.000) 3.226 1.762 ( 5.820 -1.678 0.000) 6.057 1.797 ( -0.167 0.165 0.000) 0.235 1.809 ( -1.408 0.017 0.000) 1.408 1.830 ( -0.635 -1.959 0.000) 2.059 1.838 ( 0.563 -2.453 0.000) 2.516 1.868 ( -0.725 1.066 0.000) 1.289 1.952 ( 1.813 2.295 0.000) 2.924 2.061 ( 5.558 -0.429 0.000) 5.574 2.099 ( 0.776 -2.879 0.000) 2.982 2.112 ( 4.259 2.650 0.000) 5.016 2.204 ( 0.549 -1.451 0.000) 1.551 2.214 ( -0.574 3.464 0.000) 3.511 2.328 ( 2.263 -0.391 0.000) 2.297 2.377 ( -4.603 1.409 0.000) 4.814 2.408 ( -6.168 11.225 0.000) 12.808 2.563 ( -3.600 1.374 0.000) 3.853 2.641 ( 2.231 -0.931 0.000) 2.418 2.740 ( -3.533 1.274 0.000) 3.756 2.838 ( 4.528 -1.765 0.000) 4.860 2.878 ( -1.295 -3.269 0.000) 3.516 3.097 ( -0.417 -0.632 0.000) 0.757 3.421 ( -0.644 1.622 0.000) 1.745 3.441 ( -0.920 3.595 0.000) 3.711 3.520 ( -7.588 -1.085 0.000) 7.665 3.567 ( -16.755 -1.270 0.000) 16.803 3.650 ( -7.267 -1.154 0.000) 7.358 3.748 ( -5.919 -8.807 0.000) 10.612 3.791 ( 0.278 0.052 0.000) 0.283 3.880 ( 0.239 -1.241 0.000) 1.263 4.068 ( 5.944 1.981 0.000) 6.265 4.147 ( -10.248 -2.201 0.000) 10.482 4.212 ( -2.231 -0.718 0.000) 2.344 4.293 ( -4.517 -2.663 0.000) 5.243 4.525 ( -1.660 0.631 0.000) 1.776 4.748 ( -1.729 1.507 0.000) 2.294 4.766 ( -9.364 -0.760 0.000) 9.395 4.909 ( -2.236 0.148 0.000) 2.241 5.066 ( -1.605 1.693 0.000) 2.333 5.337 ( 2.347 -0.003 0.000) 2.347 5.451 ( 8.089 1.509 0.000) 8.228 5.562 ( 11.062 -1.140 0.000) 11.120 5.876 ( -4.580 2.542 0.000) 5.238 6.042 ( 4.511 -0.997 0.000) 4.620 6.257 ( -2.074 0.313 0.000) 2.097 6.533 ( 6.799 2.213 0.000) 7.150 6.584 ( 0.483 -0.825 0.000) 0.956 6.794 ( -6.898 -0.343 0.000) 6.906 6.861 ( 0.848 1.068 0.000) 1.364 6.977 ( -0.498 0.694 0.000) 0.854 7.147 ( 0.047 -0.583 0.000) 0.585 7.225 ( 4.355 -1.070 0.000) 4.485 7.404 ( -2.936 0.459 0.000) 2.972 7.492 ( -2.231 0.352 0.000) 2.259 7.605 ( -2.923 0.063 0.000) 2.923 7.665 ( -1.515 -3.124 0.000) 3.472 7.717 ( -0.882 0.153 0.000) 0.895 7.866 ( 0.609 0.992 0.000) 1.164 8.248 ( -4.987 -0.348 0.000) 4.999 8.295 ( 3.167 -2.124 0.000) 3.813 8.504 ( -6.654 1.607 0.000) 6.846 8.595 ( -3.796 0.973 0.000) 3.919 8.639 ( -9.529 -0.908 0.000) 9.572 8.815 ( 1.764 -5.498 0.000) 5.774 9.005 ( 4.660 -1.443 0.000) 4.878 9.074 ( 2.402 1.176 0.000) 2.674 9.280 ( -1.726 1.130 0.000) 2.063 9.401 ( 5.955 0.831 0.000) 6.012 9.640 ( -4.713 -0.384 0.000) 4.729 9.707 ( -4.942 0.952 0.000) 5.033 9.830 ( -0.788 -2.917 0.000) 3.022 9.916 ( 2.720 1.480 0.000) 3.096 10.796 ( -0.693 -1.359 0.000) 1.526 11.092 ( 6.068 0.150 0.000) 6.070 11.203 ( -5.950 -0.331 0.000) 5.960 11.355 ( -5.885 -1.156 0.000) 5.997 11.445 ( 2.796 0.464 0.000) 2.834 11.679 ( 8.161 -0.038 0.000) 8.161 12.497 ( 0.344 -0.510 0.000) 0.615 12.512 ( 0.012 0.772 0.000) 0.772 12.566 ( 3.150 -3.790 0.000) 4.928 12.602 ( -3.509 2.509 0.000) 4.314 13.054 ( -12.806 2.627 0.000) 13.072 13.277 ( -0.138 -2.664 0.000) 2.667 13.623 ( -6.151 0.565 0.000) 6.177 13.679 ( -1.189 -0.348 0.000) 1.239 13.709 ( -3.434 1.662 0.000) 3.815 13.868 ( -1.468 8.371 0.000) 8.499 14.146 ( -4.896 -7.047 0.000) 8.580 14.445 ( 15.733 2.472 0.000) 15.926 14.565 ( 6.005 0.190 0.000) 6.008 14.972 ( 7.881 -1.836 0.000) 8.092 15.838 ( 2.465 1.381 0.000) 2.826 15.874 ( 5.761 0.300 0.000) 5.769 ======================= Grid point 23 (17/75) ======================= q-point: (-0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( -6.289 5.949 0.000) 8.657 1.014 ( -2.056 1.908 0.000) 2.805 1.110 ( -4.259 -2.175 0.000) 4.783 1.131 ( -6.202 8.306 0.000) 10.366 1.219 ( -3.579 1.083 0.000) 3.740 1.272 ( -5.113 0.403 0.000) 5.129 1.543 ( -2.963 6.143 0.000) 6.820 1.617 ( -6.231 -6.388 0.000) 8.924 1.662 ( -1.371 1.831 0.000) 2.288 1.741 ( -3.017 4.099 0.000) 5.090 1.769 ( -2.517 2.040 0.000) 3.239 1.825 ( 0.990 0.007 0.000) 0.990 1.829 ( -0.644 -2.604 0.000) 2.682 1.851 ( -4.355 0.379 0.000) 4.371 1.912 ( 2.505 -2.567 0.000) 3.587 1.999 ( 2.861 0.285 0.000) 2.875 2.035 ( -6.637 10.558 0.000) 12.471 2.118 ( 0.390 0.555 0.000) 0.679 2.118 ( 0.216 1.073 0.000) 1.094 2.174 ( 0.454 2.149 0.000) 2.196 2.239 ( 0.791 -3.467 0.000) 3.556 2.239 ( 2.411 4.802 0.000) 5.373 2.275 ( -4.481 1.705 0.000) 4.794 2.400 ( 2.709 -0.463 0.000) 2.748 2.449 ( -5.875 3.818 0.000) 7.007 2.641 ( -0.747 1.986 0.000) 2.121 2.728 ( 1.605 -0.100 0.000) 1.609 2.916 ( 1.913 -3.263 0.000) 3.783 2.938 ( 3.972 -3.756 0.000) 5.466 3.081 ( -1.919 -1.547 0.000) 2.465 3.228 ( -18.103 -1.811 0.000) 18.193 3.324 ( -9.790 1.319 0.000) 9.878 3.370 ( -3.457 -0.331 0.000) 3.473 3.391 ( -7.197 -1.600 0.000) 7.373 3.459 ( -10.088 -0.379 0.000) 10.095 3.742 ( -6.467 -11.634 0.000) 13.310 3.807 ( 1.218 -0.088 0.000) 1.221 3.980 ( 7.865 -2.362 0.000) 8.211 4.089 ( 1.186 -2.262 0.000) 2.554 4.095 ( -2.299 2.193 0.000) 3.177 4.173 ( -4.030 -1.482 0.000) 4.294 4.302 ( 5.833 -1.384 0.000) 5.995 4.488 ( -2.192 2.160 0.000) 3.077 4.616 ( -7.811 -2.436 0.000) 8.182 4.695 ( -2.492 1.648 0.000) 2.988 4.853 ( -3.386 1.672 0.000) 3.776 4.996 ( -4.307 2.237 0.000) 4.853 5.359 ( -0.141 -0.044 0.000) 0.148 5.567 ( 5.729 0.512 0.000) 5.752 5.739 ( 8.298 0.396 0.000) 8.308 5.789 ( -2.602 2.605 0.000) 3.682 6.102 ( 1.179 -0.860 0.000) 1.459 6.235 ( 0.669 1.091 0.000) 1.280 6.529 ( -1.935 0.930 0.000) 2.147 6.643 ( -8.459 0.205 0.000) 8.461 6.707 ( 8.547 4.331 0.000) 9.581 6.841 ( -2.627 -0.599 0.000) 2.694 6.927 ( -5.046 -0.108 0.000) 5.047 7.155 ( 1.197 1.463 0.000) 1.890 7.341 ( 5.965 -1.520 0.000) 6.156 7.388 ( 1.606 -1.014 0.000) 1.899 7.434 ( -1.549 0.918 0.000) 1.800 7.541 ( -4.067 0.382 0.000) 4.085 7.680 ( -2.469 1.031 0.000) 2.676 7.718 ( 2.258 -5.578 0.000) 6.018 7.838 ( -2.562 0.602 0.000) 2.632 8.173 ( -4.770 0.021 0.000) 4.770 8.353 ( 0.395 -0.953 0.000) 1.031 8.385 ( -5.780 -5.153 0.000) 7.743 8.457 ( -7.897 -1.798 0.000) 8.099 8.564 ( -1.749 -1.268 0.000) 2.160 8.888 ( 2.361 -4.037 0.000) 4.677 9.099 ( 0.532 0.678 0.000) 0.862 9.101 ( 4.434 -1.100 0.000) 4.569 9.223 ( -3.717 0.617 0.000) 3.768 9.488 ( 4.402 2.723 0.000) 5.176 9.579 ( -8.055 0.450 0.000) 8.067 9.580 ( -1.122 -0.613 0.000) 1.278 9.837 ( -0.185 -2.118 0.000) 2.126 10.012 ( 9.399 1.424 0.000) 9.507 10.813 ( 1.123 -1.541 0.000) 1.907 11.096 ( -6.625 -1.553 0.000) 6.804 11.184 ( 3.463 -0.875 0.000) 3.572 11.238 ( -7.962 -1.563 0.000) 8.114 11.526 ( 6.707 0.782 0.000) 6.752 11.819 ( 7.459 1.176 0.000) 7.551 12.485 ( -1.543 2.631 0.000) 3.050 12.508 ( 0.107 -0.974 0.000) 0.980 12.550 ( -0.762 0.327 0.000) 0.829 12.660 ( 2.991 -6.165 0.000) 6.853 12.833 ( -9.536 1.677 0.000) 9.683 13.203 ( -10.661 -2.775 0.000) 11.016 13.478 ( -8.719 0.746 0.000) 8.751 13.598 ( -8.303 -0.825 0.000) 8.344 13.655 ( -1.530 -0.294 0.000) 1.558 13.761 ( -2.912 2.279 0.000) 3.698 14.162 ( 1.512 -0.002 0.000) 1.512 14.664 ( 12.708 10.742 0.000) 16.640 14.695 ( 8.050 0.885 0.000) 8.099 15.185 ( 13.053 -4.714 0.000) 13.878 15.877 ( 3.228 2.158 0.000) 3.883 15.976 ( 5.888 1.528 0.000) 6.083 ======================= Grid point 24 (18/75) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( -8.379 10.766 0.000) 13.642 0.797 ( -11.894 13.760 0.000) 18.188 1.043 ( -1.705 -0.654 0.000) 1.827 1.080 ( -1.595 -3.034 0.000) 3.428 1.190 ( -0.146 1.136 0.000) 1.146 1.201 ( -2.150 1.605 0.000) 2.683 1.461 ( -1.041 6.030 0.000) 6.119 1.492 ( -7.909 10.291 0.000) 12.980 1.528 ( -10.276 11.369 0.000) 15.325 1.642 ( -1.168 2.408 0.000) 2.676 1.647 ( -2.404 6.726 0.000) 7.143 1.751 ( -1.420 -1.319 0.000) 1.938 1.819 ( 0.541 2.563 0.000) 2.620 1.857 ( -0.125 -3.799 0.000) 3.801 1.961 ( 0.627 -1.494 0.000) 1.621 2.008 ( 1.782 -1.605 0.000) 2.398 2.015 ( -0.158 -0.405 0.000) 0.435 2.078 ( -1.842 0.879 0.000) 2.041 2.116 ( -1.292 0.916 0.000) 1.583 2.163 ( 0.715 3.445 0.000) 3.519 2.233 ( 0.912 -1.076 0.000) 1.411 2.274 ( -0.330 -3.402 0.000) 3.418 2.288 ( 2.518 -1.028 0.000) 2.720 2.324 ( -3.374 4.605 0.000) 5.709 2.447 ( 1.822 -0.904 0.000) 2.034 2.634 ( 2.001 1.678 0.000) 2.612 2.751 ( 0.154 -0.423 0.000) 0.450 2.913 ( -6.707 -2.185 0.000) 7.054 2.988 ( -9.056 -0.180 0.000) 9.058 3.007 ( 0.091 -1.129 0.000) 1.133 3.084 ( 0.437 -5.991 0.000) 6.007 3.194 ( 0.099 -0.658 0.000) 0.665 3.283 ( -5.389 -2.603 0.000) 5.985 3.348 ( -2.162 -0.197 0.000) 2.171 3.357 ( 0.005 -4.685 0.000) 4.685 3.690 ( -9.278 -12.611 0.000) 15.657 3.834 ( 1.923 0.392 0.000) 1.962 4.007 ( -5.781 -0.027 0.000) 5.781 4.107 ( -3.430 -1.351 0.000) 3.686 4.120 ( 6.036 0.294 0.000) 6.043 4.199 ( 5.871 -6.495 0.000) 8.756 4.410 ( -3.191 2.344 0.000) 3.959 4.439 ( 8.461 4.410 0.000) 9.541 4.516 ( -5.703 -0.738 0.000) 5.751 4.638 ( -2.175 2.085 0.000) 3.013 4.769 ( -3.417 2.646 0.000) 4.321 4.884 ( -5.617 1.721 0.000) 5.875 5.336 ( -1.987 -0.003 0.000) 1.987 5.656 ( 4.005 -0.034 0.000) 4.005 5.744 ( -0.341 2.089 0.000) 2.117 5.866 ( 6.564 2.060 0.000) 6.880 6.098 ( -1.905 -0.223 0.000) 1.918 6.268 ( 3.518 1.251 0.000) 3.733 6.473 ( -4.793 1.110 0.000) 4.920 6.495 ( -4.311 0.642 0.000) 4.359 6.785 ( -3.997 -1.239 0.000) 4.185 6.795 ( 5.112 6.853 0.000) 8.549 6.808 ( -7.326 -0.738 0.000) 7.363 7.169 ( 2.161 3.411 0.000) 4.037 7.418 ( 2.734 -1.476 0.000) 3.107 7.427 ( 0.751 0.657 0.000) 0.997 7.471 ( -3.001 0.067 0.000) 3.002 7.480 ( 4.281 -1.224 0.000) 4.453 7.631 ( -1.077 1.094 0.000) 1.535 7.774 ( -4.167 -0.104 0.000) 4.168 7.804 ( 1.881 -6.164 0.000) 6.444 8.066 ( -5.116 0.751 0.000) 5.171 8.264 ( -6.464 -0.133 0.000) 6.466 8.403 ( -0.388 -11.392 0.000) 11.399 8.443 ( 0.996 -2.311 0.000) 2.517 8.545 ( -2.349 -1.724 0.000) 2.914 8.962 ( 2.670 -2.986 0.000) 4.005 9.074 ( -2.538 0.061 0.000) 2.539 9.122 ( -4.167 -1.096 0.000) 4.308 9.202 ( 3.435 0.008 0.000) 3.435 9.427 ( -7.703 0.145 0.000) 7.704 9.522 ( 2.111 2.579 0.000) 3.333 9.602 ( 2.341 1.196 0.000) 2.629 9.860 ( 1.214 -0.937 0.000) 1.533 10.227 ( 13.509 0.284 0.000) 13.512 10.857 ( 2.441 -1.393 0.000) 2.811 10.991 ( -6.430 -3.241 0.000) 7.201 11.102 ( -8.329 -2.883 0.000) 8.814 11.234 ( 1.199 -1.783 0.000) 2.148 11.661 ( 7.822 0.558 0.000) 7.842 11.921 ( 4.983 2.531 0.000) 5.588 12.441 ( -0.955 2.093 0.000) 2.301 12.510 ( -1.108 -1.224 0.000) 1.651 12.546 ( 0.076 0.065 0.000) 0.100 12.679 ( -5.314 1.583 0.000) 5.545 12.773 ( 2.019 -10.011 0.000) 10.213 12.983 ( -12.744 -1.398 0.000) 12.821 13.321 ( -7.256 0.122 0.000) 7.257 13.434 ( -10.014 -1.970 0.000) 10.206 13.632 ( -0.981 -0.094 0.000) 0.985 13.738 ( 0.017 -0.858 0.000) 0.858 14.165 ( 0.987 5.306 0.000) 5.397 14.731 ( 6.104 15.782 0.000) 16.921 14.821 ( 5.664 0.520 0.000) 5.688 15.491 ( 14.425 -5.653 0.000) 15.493 15.916 ( 2.879 2.527 0.000) 3.830 16.049 ( 3.631 2.841 0.000) 4.610 ======================= Grid point 25 (19/75) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( -0.000 16.535 0.000) 16.535 0.537 ( -0.000 14.844 0.000) 14.844 0.997 ( -0.000 10.175 0.000) 10.175 1.085 ( 0.000 -1.917 0.000) 1.917 1.142 ( -0.000 12.050 0.000) 12.050 1.171 ( -0.000 1.050 0.000) 1.050 1.285 ( -0.000 8.150 0.000) 8.150 1.409 ( -0.000 4.985 0.000) 4.985 1.413 ( -0.000 0.795 0.000) 0.795 1.564 ( -0.000 8.277 0.000) 8.277 1.594 ( -0.000 5.393 0.000) 5.393 1.764 ( 0.000 -3.946 0.000) 3.946 1.803 ( -0.000 2.918 0.000) 2.918 1.879 ( 0.000 -2.119 0.000) 2.119 1.966 ( 0.000 -0.931 0.000) 0.931 2.026 ( 0.000 -1.652 0.000) 1.652 2.040 ( -0.000 2.744 0.000) 2.744 2.055 ( 0.000 -4.331 0.000) 4.331 2.093 ( -0.000 0.200 0.000) 0.200 2.149 ( -0.000 2.176 0.000) 2.176 2.241 ( -0.000 4.647 0.000) 4.647 2.266 ( 0.000 -1.524 0.000) 1.524 2.309 ( 0.000 -3.509 0.000) 3.509 2.323 ( 0.000 -1.463 0.000) 1.463 2.471 ( -0.000 0.014 0.000) 0.014 2.685 ( 0.000 -2.182 0.000) 2.182 2.724 ( 0.000 -0.119 0.000) 0.119 2.847 ( 0.000 -0.634 0.000) 0.634 2.887 ( -0.000 0.763 0.000) 0.763 3.002 ( 0.000 -0.340 0.000) 0.340 3.146 ( 0.000 -6.637 0.000) 6.637 3.212 ( -0.000 1.140 0.000) 1.140 3.250 ( 0.000 -2.670 0.000) 2.670 3.394 ( 0.000 -1.112 0.000) 1.112 3.426 ( 0.000 -8.760 0.000) 8.760 3.654 ( 0.000 -13.761 0.000) 13.761 3.868 ( -0.000 0.303 0.000) 0.303 3.923 ( -0.000 0.052 0.000) 0.052 4.084 ( 0.000 -1.115 0.000) 1.115 4.195 ( 0.000 -1.317 0.000) 1.317 4.328 ( 0.000 -7.502 0.000) 7.502 4.387 ( 0.000 -0.776 0.000) 0.776 4.402 ( -0.000 6.331 0.000) 6.331 4.483 ( -0.000 8.899 0.000) 8.899 4.588 ( -0.000 2.883 0.000) 2.883 4.712 ( -0.000 2.904 0.000) 2.904 4.816 ( 0.000 -0.102 0.000) 0.102 5.309 ( -0.000 0.408 0.000) 0.408 5.698 ( 0.000 -0.513 0.000) 0.513 5.733 ( -0.000 1.646 0.000) 1.646 5.919 ( -0.000 3.523 0.000) 3.523 6.064 ( -0.000 0.142 0.000) 0.142 6.305 ( -0.000 0.877 0.000) 0.877 6.402 ( -0.000 0.630 0.000) 0.630 6.462 ( -0.000 0.770 0.000) 0.770 6.726 ( 0.000 -0.309 0.000) 0.309 6.740 ( -0.000 0.102 0.000) 0.102 6.787 ( -0.000 6.826 0.000) 6.826 7.166 ( -0.000 3.696 0.000) 3.696 7.434 ( -0.000 0.468 0.000) 0.468 7.439 ( -0.000 0.035 0.000) 0.035 7.462 ( 0.000 -2.079 0.000) 2.079 7.514 ( 0.000 -0.170 0.000) 0.170 7.638 ( -0.000 1.320 0.000) 1.320 7.714 ( 0.000 -0.337 0.000) 0.337 7.871 ( 0.000 -6.248 0.000) 6.248 8.015 ( -0.000 0.067 0.000) 0.067 8.199 ( 0.000 -0.406 0.000) 0.406 8.472 ( 0.000 -1.352 0.000) 1.352 8.501 ( 0.000 -12.918 0.000) 12.918 8.508 ( -0.000 0.278 0.000) 0.278 9.026 ( 0.000 -2.128 0.000) 2.128 9.029 ( 0.000 -0.008 0.000) 0.008 9.084 ( 0.000 -1.607 0.000) 1.607 9.252 ( -0.000 0.614 0.000) 0.614 9.335 ( 0.000 -0.329 0.000) 0.329 9.522 ( -0.000 2.783 0.000) 2.783 9.617 ( -0.000 1.318 0.000) 1.318 9.881 ( 0.000 -0.411 0.000) 0.411 10.384 ( -0.000 0.157 0.000) 0.157 10.906 ( 0.000 -3.262 0.000) 3.262 10.947 ( 0.000 -0.174 0.000) 0.174 11.032 ( 0.000 -6.882 0.000) 6.882 11.261 ( 0.000 -2.181 0.000) 2.181 11.753 ( 0.000 -1.159 0.000) 1.159 11.951 ( -0.000 3.113 0.000) 3.113 12.420 ( -0.000 1.467 0.000) 1.467 12.488 ( -0.000 0.101 0.000) 0.101 12.546 ( -0.000 0.272 0.000) 0.272 12.618 ( -0.000 1.632 0.000) 1.632 12.852 ( -0.000 0.141 0.000) 0.141 12.890 ( 0.000 -14.165 0.000) 14.165 13.245 ( 0.000 -0.030 0.000) 0.030 13.326 ( -0.000 0.081 0.000) 0.081 13.623 ( -0.000 0.016 0.000) 0.016 13.751 ( 0.000 -1.943 0.000) 1.943 14.123 ( -0.000 7.192 0.000) 7.192 14.653 ( -0.000 17.991 0.000) 17.991 14.872 ( -0.000 0.639 0.000) 0.639 15.701 ( 0.000 -6.477 0.000) 6.477 15.937 ( -0.000 1.030 0.000) 1.030 16.058 ( -0.000 3.373 0.000) 3.373 ======================= Grid point 30 (20/75) ======================= q-point: (-0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( -0.294 0.000 0.000) 0.294 1.054 ( -1.587 0.000 0.000) 1.587 1.168 ( -2.762 0.000 0.000) 2.762 1.206 ( 0.417 -0.000 0.000) 0.417 1.410 ( -9.264 0.000 0.000) 9.264 1.499 ( -5.487 0.000 0.000) 5.487 1.563 ( -9.250 0.000 0.000) 9.250 1.696 ( -3.420 0.000 0.000) 3.420 1.753 ( -0.666 0.000 0.000) 0.666 1.753 ( 7.088 -0.000 0.000) 7.088 1.781 ( -1.571 0.000 0.000) 1.571 1.795 ( -0.264 0.000 0.000) 0.264 1.816 ( -0.643 0.000 0.000) 0.643 1.832 ( -1.207 0.000 0.000) 1.207 1.877 ( -1.695 0.000 0.000) 1.695 1.987 ( -0.080 0.000 0.000) 0.080 2.055 ( 2.883 -0.000 0.000) 2.883 2.057 ( 6.097 -0.000 0.000) 6.097 2.132 ( 2.984 -0.000 0.000) 2.984 2.197 ( 0.272 -0.000 0.000) 0.272 2.255 ( -0.465 0.000 0.000) 0.465 2.309 ( 3.632 -0.000 0.000) 3.632 2.388 ( -4.605 0.000 0.000) 4.605 2.543 ( -5.641 0.000 0.000) 5.641 2.573 ( -2.761 0.000 0.000) 2.761 2.599 ( 4.428 -0.000 0.000) 4.428 2.753 ( -4.137 0.000 0.000) 4.137 2.825 ( 4.091 -0.000 0.000) 4.091 2.846 ( -2.151 0.000 0.000) 2.151 3.092 ( -0.569 0.000 0.000) 0.569 3.434 ( -0.875 0.000 0.000) 0.875 3.480 ( -2.734 0.000 0.000) 2.734 3.510 ( -7.864 0.000 0.000) 7.864 3.569 ( -4.066 0.000 0.000) 4.066 3.626 ( -15.734 0.000 0.000) 15.734 3.667 ( -10.306 0.000 0.000) 10.306 3.792 ( 0.003 -0.000 0.000) 0.003 3.871 ( 0.268 -0.000 0.000) 0.268 4.086 ( 7.513 -0.000 0.000) 7.513 4.131 ( -9.516 0.000 0.000) 9.516 4.207 ( -2.383 0.000 0.000) 2.383 4.269 ( -5.948 0.000 0.000) 5.948 4.530 ( -1.405 0.000 0.000) 1.405 4.760 ( -1.883 0.000 0.000) 1.883 4.760 ( -9.834 0.000 0.000) 9.834 4.910 ( -1.669 0.000 0.000) 1.669 5.079 ( -1.561 0.000 0.000) 1.561 5.336 ( 2.350 -0.000 0.000) 2.350 5.467 ( 7.109 -0.000 0.000) 7.109 5.549 ( 11.934 -0.000 0.000) 11.934 5.897 ( -4.842 0.000 0.000) 4.842 6.034 ( 4.739 -0.000 0.000) 4.739 6.259 ( -1.733 0.000 0.000) 1.733 6.559 ( 10.181 -0.000 0.000) 10.181 6.570 ( -1.640 0.000 0.000) 1.640 6.791 ( -6.851 0.000 0.000) 6.851 6.869 ( 0.167 -0.000 0.000) 0.167 6.984 ( -0.746 0.000 0.000) 0.746 7.142 ( 0.697 -0.000 0.000) 0.697 7.216 ( 4.130 -0.000 0.000) 4.130 7.408 ( -3.338 0.000 0.000) 3.338 7.494 ( -1.237 0.000 0.000) 1.237 7.608 ( -1.730 0.000 0.000) 1.730 7.638 ( -3.970 0.000 0.000) 3.970 7.718 ( -0.636 0.000 0.000) 0.636 7.875 ( 0.830 -0.000 0.000) 0.830 8.240 ( -6.372 0.000 0.000) 6.372 8.279 ( 3.506 -0.000 0.000) 3.506 8.530 ( -8.550 0.000 0.000) 8.550 8.604 ( -3.717 0.000 0.000) 3.717 8.630 ( -10.471 0.000 0.000) 10.471 8.762 ( 3.618 -0.000 0.000) 3.618 8.993 ( 5.038 -0.000 0.000) 5.038 9.084 ( 2.087 -0.000 0.000) 2.087 9.289 ( -1.921 0.000 0.000) 1.921 9.408 ( 6.593 -0.000 0.000) 6.593 9.636 ( -5.055 0.000 0.000) 5.055 9.715 ( -5.712 0.000 0.000) 5.712 9.805 ( 0.133 -0.000 0.000) 0.133 9.928 ( 2.831 -0.000 0.000) 2.831 10.785 ( -0.652 0.000 0.000) 0.652 11.093 ( 5.706 -0.000 0.000) 5.706 11.201 ( -6.199 0.000 0.000) 6.199 11.345 ( -5.851 0.000 0.000) 5.851 11.449 ( 2.733 -0.000 0.000) 2.733 11.677 ( 8.467 -0.000 0.000) 8.467 12.494 ( 0.179 -0.000 0.000) 0.179 12.517 ( 0.327 -0.000 0.000) 0.327 12.536 ( 3.214 -0.000 0.000) 3.214 12.623 ( -4.378 0.000 0.000) 4.378 13.076 ( -13.565 0.000 0.000) 13.565 13.258 ( 0.167 -0.000 0.000) 0.167 13.626 ( -6.088 0.000 0.000) 6.088 13.676 ( -1.143 0.000 0.000) 1.143 13.726 ( -4.314 0.000 0.000) 4.314 14.010 ( 7.574 -0.000 0.000) 7.574 14.013 ( -14.300 0.000 0.000) 14.300 14.464 ( 18.931 -0.000 0.000) 18.931 14.566 ( 6.649 -0.000 0.000) 6.649 14.955 ( 6.334 -0.000 0.000) 6.334 15.849 ( 2.575 -0.000 0.000) 2.575 15.876 ( 6.142 -0.000 0.000) 6.142 ======================= Grid point 32 (21/75) ======================= q-point: (-0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( -2.734 2.810 0.000) 3.920 1.018 ( -0.386 -0.171 0.000) 0.422 1.083 ( -6.353 -1.291 0.000) 6.483 1.208 ( -0.015 0.747 0.000) 0.747 1.277 ( -4.610 0.204 0.000) 4.615 1.309 ( -9.776 10.290 0.000) 14.194 1.475 ( -6.504 -10.140 0.000) 12.046 1.629 ( -2.079 4.255 0.000) 4.735 1.717 ( -1.277 3.164 0.000) 3.413 1.763 ( -1.324 -3.050 0.000) 3.325 1.788 ( -0.798 0.566 0.000) 0.978 1.789 ( -2.473 1.123 0.000) 2.716 1.820 ( -0.039 -2.581 0.000) 2.581 1.836 ( 2.184 0.010 0.000) 2.184 1.889 ( 2.178 -0.419 0.000) 2.218 2.016 ( 3.158 1.517 0.000) 3.503 2.097 ( 0.640 -2.052 0.000) 2.149 2.123 ( -3.439 1.523 0.000) 3.761 2.161 ( 4.712 0.638 0.000) 4.755 2.202 ( -3.985 3.213 0.000) 5.119 2.207 ( 0.518 -0.597 0.000) 0.790 2.294 ( -4.891 0.671 0.000) 4.937 2.343 ( -1.522 3.408 0.000) 3.733 2.397 ( -2.906 2.136 0.000) 3.607 2.492 ( -5.041 1.502 0.000) 5.260 2.672 ( 2.086 2.181 0.000) 3.018 2.722 ( 1.149 -0.902 0.000) 1.461 2.859 ( 2.289 -3.313 0.000) 4.027 2.894 ( 3.128 -1.627 0.000) 3.526 3.066 ( -2.155 -0.449 0.000) 2.201 3.206 ( -17.381 -0.820 0.000) 17.401 3.354 ( -16.163 1.860 0.000) 16.270 3.362 ( -7.732 -0.509 0.000) 7.749 3.375 ( -5.469 -0.450 0.000) 5.487 3.471 ( -6.518 2.715 0.000) 7.061 3.571 ( -5.533 -9.494 0.000) 10.989 3.806 ( 1.408 -0.025 0.000) 1.409 3.947 ( 7.115 -1.258 0.000) 7.226 4.075 ( 1.481 -0.234 0.000) 1.500 4.130 ( -4.612 2.055 0.000) 5.049 4.154 ( -5.259 -1.115 0.000) 5.376 4.279 ( 10.802 -1.178 0.000) 10.866 4.513 ( -0.810 1.050 0.000) 1.326 4.586 ( -8.986 -1.217 0.000) 9.068 4.715 ( -2.585 0.701 0.000) 2.679 4.871 ( -2.723 0.592 0.000) 2.787 5.020 ( -4.556 0.813 0.000) 4.628 5.359 ( -0.151 0.001 0.000) 0.151 5.577 ( 5.374 0.459 0.000) 5.393 5.737 ( 8.955 -0.273 0.000) 8.960 5.816 ( -3.319 0.899 0.000) 3.439 6.092 ( 1.440 -0.335 0.000) 1.478 6.247 ( 0.875 0.442 0.000) 0.981 6.542 ( -1.494 0.532 0.000) 1.586 6.644 ( -8.644 -0.052 0.000) 8.644 6.756 ( 10.750 1.777 0.000) 10.896 6.837 ( -3.181 -0.009 0.000) 3.181 6.925 ( -5.709 -0.077 0.000) 5.710 7.174 ( 2.662 0.729 0.000) 2.760 7.326 ( 6.903 -0.502 0.000) 6.921 7.377 ( 0.216 -0.358 0.000) 0.418 7.446 ( -1.688 0.475 0.000) 1.753 7.550 ( -4.596 0.711 0.000) 4.651 7.647 ( 2.515 -2.979 0.000) 3.899 7.691 ( -2.098 0.358 0.000) 2.128 7.850 ( -3.083 0.711 0.000) 3.164 8.150 ( -4.448 -1.807 0.000) 4.801 8.343 ( 2.986 -0.312 0.000) 3.002 8.351 ( -9.543 -0.241 0.000) 9.546 8.437 ( -10.328 -0.749 0.000) 10.355 8.555 ( -1.844 -0.212 0.000) 1.856 8.836 ( 3.427 -2.104 0.000) 4.022 9.090 ( 5.112 -0.335 0.000) 5.123 9.106 ( 0.001 0.248 0.000) 0.248 9.228 ( -4.741 0.097 0.000) 4.742 9.526 ( 5.532 1.908 0.000) 5.851 9.566 ( -1.249 -1.120 0.000) 1.678 9.581 ( -8.467 -0.022 0.000) 8.467 9.814 ( 0.811 -0.802 0.000) 1.141 10.028 ( 8.685 0.564 0.000) 8.703 10.795 ( 1.324 -0.633 0.000) 1.467 11.082 ( -7.243 -0.417 0.000) 7.255 11.174 ( 2.852 -0.383 0.000) 2.878 11.218 ( -8.238 -0.774 0.000) 8.275 11.535 ( 6.769 0.331 0.000) 6.778 11.826 ( 7.665 0.050 0.000) 7.665 12.498 ( 0.096 -0.288 0.000) 0.304 12.518 ( -0.392 1.413 0.000) 1.466 12.549 ( -2.790 -0.324 0.000) 2.809 12.600 ( 2.893 -1.863 0.000) 3.441 12.855 ( -10.101 0.819 0.000) 10.134 13.178 ( -9.657 -0.720 0.000) 9.684 13.486 ( -8.899 0.260 0.000) 8.902 13.596 ( -9.298 0.220 0.000) 9.301 13.651 ( -1.439 -0.136 0.000) 1.446 13.795 ( -6.709 1.541 0.000) 6.884 14.153 ( 6.349 -0.642 0.000) 6.381 14.702 ( 7.490 0.092 0.000) 7.491 14.804 ( 18.359 6.341 0.000) 19.423 15.099 ( 8.776 -4.872 0.000) 10.038 15.901 ( 3.294 0.804 0.000) 3.391 15.994 ( 6.551 0.616 0.000) 6.580 ======================= Grid point 33 (22/75) ======================= q-point: (-0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( -6.446 7.196 0.000) 9.661 0.990 ( -5.797 8.244 0.000) 10.078 1.035 ( -1.588 -2.855 0.000) 3.267 1.045 ( -5.962 3.665 0.000) 6.998 1.200 ( 0.071 0.585 0.000) 0.589 1.224 ( -1.321 1.203 0.000) 1.787 1.424 ( -7.284 -8.518 0.000) 11.208 1.559 ( -0.957 6.453 0.000) 6.524 1.682 ( 0.521 3.474 0.000) 3.513 1.730 ( -1.504 3.751 0.000) 4.041 1.757 ( -1.090 2.919 0.000) 3.116 1.783 ( -0.564 -5.439 0.000) 5.468 1.801 ( -2.322 8.164 0.000) 8.488 1.855 ( 1.037 1.579 0.000) 1.889 1.940 ( 2.244 -0.861 0.000) 2.403 1.988 ( -5.056 1.784 0.000) 5.362 2.030 ( -0.501 2.122 0.000) 2.180 2.107 ( -2.214 1.780 0.000) 2.841 2.119 ( -0.135 -1.284 0.000) 1.291 2.210 ( -1.076 -1.431 0.000) 1.790 2.225 ( 2.035 3.381 0.000) 3.946 2.237 ( -0.507 -0.920 0.000) 1.050 2.281 ( 0.181 1.175 0.000) 1.188 2.390 ( -3.447 3.397 0.000) 4.839 2.410 ( 0.140 -3.599 0.000) 3.601 2.680 ( 2.610 4.283 0.000) 5.015 2.750 ( 0.557 0.233 0.000) 0.604 2.879 ( -5.558 -2.013 0.000) 5.912 2.969 ( 2.663 -3.472 0.000) 4.376 2.997 ( -7.321 1.634 0.000) 7.501 3.030 ( -2.146 -1.103 0.000) 2.412 3.156 ( -0.241 -4.869 0.000) 4.875 3.244 ( -5.687 -2.068 0.000) 6.051 3.296 ( -3.501 -2.913 0.000) 4.554 3.352 ( -4.272 1.179 0.000) 4.432 3.510 ( -9.168 -10.074 0.000) 13.621 3.839 ( 2.195 0.225 0.000) 2.207 4.012 ( -6.156 0.503 0.000) 6.177 4.091 ( -2.746 -0.709 0.000) 2.836 4.101 ( 6.636 -2.962 0.000) 7.267 4.134 ( 3.523 -1.159 0.000) 3.709 4.430 ( -5.388 0.501 0.000) 5.411 4.486 ( 10.971 1.756 0.000) 11.110 4.512 ( -1.656 0.056 0.000) 1.657 4.664 ( -1.890 1.253 0.000) 2.268 4.803 ( -3.250 1.668 0.000) 3.653 4.907 ( -6.667 1.095 0.000) 6.756 5.337 ( -1.736 0.065 0.000) 1.737 5.660 ( 3.977 0.448 0.000) 4.002 5.768 ( -1.224 0.942 0.000) 1.545 5.883 ( 6.924 0.373 0.000) 6.934 6.094 ( -1.365 -0.250 0.000) 1.388 6.285 ( 3.365 0.832 0.000) 3.467 6.487 ( -6.787 0.534 0.000) 6.808 6.507 ( -1.973 0.993 0.000) 2.208 6.775 ( -3.225 -0.193 0.000) 3.230 6.799 ( -7.187 -0.407 0.000) 7.199 6.892 ( 6.201 5.075 0.000) 8.013 7.214 ( 2.590 2.195 0.000) 3.395 7.407 ( 3.197 0.014 0.000) 3.197 7.438 ( 0.697 0.694 0.000) 0.984 7.460 ( 5.294 -1.308 0.000) 5.453 7.472 ( -3.212 0.107 0.000) 3.214 7.644 ( -2.016 0.614 0.000) 2.108 7.719 ( 2.013 -4.307 0.000) 4.754 7.772 ( -4.721 -0.127 0.000) 4.723 8.071 ( -5.276 -0.316 0.000) 5.286 8.258 ( -2.745 -6.650 0.000) 7.195 8.262 ( -7.117 -0.043 0.000) 7.118 8.412 ( 2.299 -1.520 0.000) 2.756 8.531 ( -1.315 -0.371 0.000) 1.366 8.916 ( 3.205 -2.652 0.000) 4.160 9.074 ( -3.071 -0.081 0.000) 3.072 9.117 ( -4.508 0.401 0.000) 4.526 9.193 ( 3.777 -1.035 0.000) 3.916 9.428 ( -7.877 -0.077 0.000) 7.877 9.552 ( 1.805 1.207 0.000) 2.171 9.623 ( 3.343 1.317 0.000) 3.593 9.846 ( 1.698 -0.745 0.000) 1.854 10.231 ( 12.853 0.209 0.000) 12.854 10.839 ( 2.709 -0.847 0.000) 2.838 10.947 ( -7.968 -2.187 0.000) 8.263 11.069 ( -8.662 -1.440 0.000) 8.781 11.210 ( 0.816 -1.191 0.000) 1.444 11.667 ( 6.902 0.230 0.000) 6.906 11.942 ( 4.917 0.517 0.000) 4.944 12.474 ( -1.522 2.034 0.000) 2.540 12.498 ( -0.494 -0.396 0.000) 0.633 12.540 ( -0.060 -0.772 0.000) 0.774 12.668 ( 2.057 -3.926 0.000) 4.433 12.702 ( -5.537 1.173 0.000) 5.660 12.969 ( -11.261 -0.512 0.000) 11.272 13.324 ( -7.681 0.179 0.000) 7.683 13.419 ( -8.946 -0.328 0.000) 8.952 13.630 ( -0.895 -0.142 0.000) 0.906 13.732 ( -0.872 -0.040 0.000) 0.873 14.232 ( 3.260 3.228 0.000) 4.587 14.819 ( 4.885 -0.461 0.000) 4.907 14.962 ( 8.213 14.207 0.000) 16.410 15.361 ( 10.947 -10.598 0.000) 15.237 15.948 ( 2.673 1.538 0.000) 3.084 16.087 ( 4.210 1.802 0.000) 4.579 ======================= Grid point 34 (23/75) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( -0.000 10.435 0.000) 10.435 0.771 ( -0.000 15.121 0.000) 15.121 1.026 ( 0.000 -0.433 0.000) 0.433 1.044 ( 0.000 -2.918 0.000) 2.918 1.199 ( -0.000 2.071 0.000) 2.071 1.204 ( -0.000 0.282 0.000) 0.282 1.388 ( 0.000 -4.711 0.000) 4.711 1.499 ( -0.000 6.488 0.000) 6.488 1.617 ( -0.000 23.089 0.000) 23.089 1.668 ( -0.000 4.560 0.000) 4.560 1.677 ( -0.000 6.008 0.000) 6.008 1.732 ( -0.000 0.482 0.000) 0.482 1.821 ( 0.000 -5.158 0.000) 5.158 1.850 ( -0.000 2.706 0.000) 2.706 1.964 ( -0.000 0.489 0.000) 0.489 1.977 ( 0.000 -5.634 0.000) 5.634 2.006 ( 0.000 -0.219 0.000) 0.219 2.080 ( -0.000 1.758 0.000) 1.758 2.107 ( -0.000 1.098 0.000) 1.098 2.201 ( -0.000 4.728 0.000) 4.728 2.234 ( 0.000 -3.948 0.000) 3.948 2.243 ( 0.000 -1.450 0.000) 1.450 2.299 ( 0.000 -1.628 0.000) 1.628 2.328 ( -0.000 4.355 0.000) 4.355 2.441 ( 0.000 -3.666 0.000) 3.666 2.698 ( -0.000 4.053 0.000) 4.053 2.723 ( -0.000 0.005 0.000) 0.005 2.831 ( 0.000 -1.196 0.000) 1.196 2.897 ( -0.000 0.539 0.000) 0.539 3.000 ( -0.000 0.058 0.000) 0.058 3.045 ( 0.000 -6.043 0.000) 6.043 3.206 ( 0.000 -2.759 0.000) 2.759 3.233 ( -0.000 1.402 0.000) 1.402 3.306 ( 0.000 -6.450 0.000) 6.450 3.374 ( 0.000 -1.435 0.000) 1.435 3.434 ( 0.000 -14.962 0.000) 14.962 3.874 ( -0.000 0.316 0.000) 0.316 3.930 ( -0.000 0.636 0.000) 0.636 4.070 ( 0.000 -0.675 0.000) 0.675 4.176 ( 0.000 -1.049 0.000) 1.049 4.213 ( 0.000 -6.387 0.000) 6.387 4.377 ( 0.000 -0.463 0.000) 0.463 4.478 ( -0.000 3.291 0.000) 3.291 4.591 ( -0.000 5.058 0.000) 5.058 4.629 ( -0.000 2.232 0.000) 2.232 4.753 ( -0.000 2.309 0.000) 2.309 4.815 ( 0.000 -0.085 0.000) 0.085 5.315 ( -0.000 0.308 0.000) 0.308 5.698 ( -0.000 0.322 0.000) 0.322 5.752 ( -0.000 0.858 0.000) 0.858 5.956 ( -0.000 1.298 0.000) 1.298 6.067 ( -0.000 0.121 0.000) 0.121 6.320 ( -0.000 0.957 0.000) 0.957 6.412 ( -0.000 0.555 0.000) 0.555 6.480 ( -0.000 1.429 0.000) 1.429 6.722 ( 0.000 -0.284 0.000) 0.284 6.742 ( -0.000 0.114 0.000) 0.114 6.899 ( -0.000 7.089 0.000) 7.089 7.221 ( -0.000 3.079 0.000) 3.079 7.439 ( -0.000 0.032 0.000) 0.032 7.443 ( -0.000 0.665 0.000) 0.665 7.445 ( 0.000 -0.045 0.000) 0.045 7.512 ( 0.000 -0.152 0.000) 0.152 7.643 ( 0.000 -0.762 0.000) 0.762 7.709 ( 0.000 -0.297 0.000) 0.297 7.777 ( 0.000 -5.470 0.000) 5.470 8.016 ( -0.000 0.060 0.000) 0.060 8.193 ( 0.000 -0.362 0.000) 0.362 8.311 ( 0.000 -10.914 0.000) 10.914 8.450 ( 0.000 -1.357 0.000) 1.357 8.512 ( -0.000 0.243 0.000) 0.243 8.982 ( 0.000 -3.210 0.000) 3.210 9.029 ( 0.000 -0.008 0.000) 0.008 9.066 ( 0.000 -0.544 0.000) 0.544 9.258 ( 0.000 -0.012 0.000) 0.012 9.330 ( 0.000 -0.293 0.000) 0.293 9.561 ( -0.000 2.009 0.000) 2.009 9.641 ( -0.000 1.776 0.000) 1.776 9.871 ( 0.000 -0.762 0.000) 0.762 10.386 ( -0.000 0.139 0.000) 0.139 10.853 ( 0.000 -3.228 0.000) 3.228 10.944 ( 0.000 -0.159 0.000) 0.159 10.945 ( 0.000 -4.332 0.000) 4.332 11.229 ( 0.000 -1.831 0.000) 1.831 11.741 ( 0.000 -0.513 0.000) 0.513 11.984 ( -0.000 1.180 0.000) 1.180 12.445 ( -0.000 1.808 0.000) 1.808 12.490 ( -0.000 0.090 0.000) 0.090 12.545 ( 0.000 -0.456 0.000) 0.456 12.642 ( -0.000 1.364 0.000) 1.364 12.729 ( 0.000 -6.698 0.000) 6.698 12.854 ( -0.000 0.128 0.000) 0.128 13.245 ( 0.000 -0.025 0.000) 0.025 13.327 ( -0.000 0.071 0.000) 0.071 13.623 ( 0.000 -0.092 0.000) 0.092 13.731 ( 0.000 -0.767 0.000) 0.767 14.224 ( -0.000 5.753 0.000) 5.753 14.872 ( 0.000 -0.635 0.000) 0.635 14.916 ( -0.000 16.100 0.000) 16.100 15.562 ( 0.000 -11.085 0.000) 11.085 15.963 ( -0.000 1.864 0.000) 1.864 16.108 ( -0.000 2.821 0.000) 2.821 ======================= Grid point 41 (24/75) ======================= q-point: (-0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( -6.668 0.000 0.000) 6.668 1.002 ( -0.891 0.000 0.000) 0.891 1.015 ( 0.078 -0.000 0.000) 0.078 1.142 ( -10.680 0.000 0.000) 10.680 1.218 ( -1.808 0.000 0.000) 1.808 1.234 ( -0.948 0.000 0.000) 0.948 1.312 ( -5.352 0.000 0.000) 5.352 1.632 ( -0.152 0.000 0.000) 0.152 1.716 ( -0.454 0.000 0.000) 0.454 1.717 ( -1.514 0.000 0.000) 1.514 1.759 ( -1.291 0.000 0.000) 1.291 1.785 ( 0.108 -0.000 0.000) 0.108 1.825 ( 2.201 -0.000 0.000) 2.201 1.866 ( 0.992 -0.000 0.000) 0.992 1.936 ( 2.921 -0.000 0.000) 2.921 2.038 ( -6.045 0.000 0.000) 6.045 2.075 ( 1.827 -0.000 0.000) 1.827 2.076 ( -1.691 0.000 0.000) 1.691 2.117 ( -5.643 0.000 0.000) 5.643 2.203 ( -1.083 0.000 0.000) 1.083 2.232 ( -1.473 0.000 0.000) 1.473 2.241 ( 3.234 -0.000 0.000) 3.234 2.326 ( -2.337 0.000 0.000) 2.337 2.358 ( 0.171 -0.000 0.000) 0.171 2.418 ( -3.367 0.000 0.000) 3.367 2.729 ( 0.671 -0.000 0.000) 0.671 2.755 ( 4.020 -0.000 0.000) 4.020 2.859 ( -3.957 0.000 0.000) 3.957 2.937 ( 2.478 -0.000 0.000) 2.478 3.024 ( -1.988 0.000 0.000) 1.988 3.048 ( 3.623 -0.000 0.000) 3.623 3.065 ( -13.322 0.000 0.000) 13.322 3.227 ( -5.854 0.000 0.000) 5.854 3.273 ( -4.680 0.000 0.000) 4.680 3.391 ( -8.496 0.000 0.000) 8.496 3.401 ( -4.769 0.000 0.000) 4.769 3.840 ( 2.291 -0.000 0.000) 2.291 4.017 ( -6.463 0.000 0.000) 6.463 4.074 ( 6.265 -0.000 0.000) 6.265 4.085 ( -2.420 0.000 0.000) 2.420 4.128 ( 3.287 -0.000 0.000) 3.287 4.433 ( -6.309 0.000 0.000) 6.309 4.498 ( 11.854 -0.000 0.000) 11.854 4.513 ( -0.164 0.000 0.000) 0.164 4.674 ( -1.879 0.000 0.000) 1.879 4.817 ( -3.170 0.000 0.000) 3.170 4.916 ( -6.986 0.000 0.000) 6.986 5.338 ( -1.669 0.000 0.000) 1.669 5.664 ( 3.958 -0.000 0.000) 3.958 5.775 ( -1.525 0.000 0.000) 1.525 5.884 ( 7.017 -0.000 0.000) 7.017 6.092 ( -1.167 0.000 0.000) 1.167 6.291 ( 3.278 -0.000 0.000) 3.278 6.491 ( -7.158 0.000 0.000) 7.158 6.517 ( -1.365 0.000 0.000) 1.365 6.774 ( -3.068 0.000 0.000) 3.068 6.796 ( -7.149 0.000 0.000) 7.149 6.933 ( 6.758 -0.000 0.000) 6.758 7.231 ( 2.684 -0.000 0.000) 2.684 7.410 ( 3.546 -0.000 0.000) 3.546 7.444 ( 0.713 -0.000 0.000) 0.713 7.446 ( 5.791 -0.000 0.000) 5.791 7.473 ( -3.451 0.000 0.000) 3.451 7.649 ( -2.605 0.000 0.000) 2.605 7.684 ( 2.271 -0.000 0.000) 2.271 7.771 ( -5.310 0.000 0.000) 5.310 8.064 ( -4.285 0.000 0.000) 4.285 8.209 ( -4.630 0.000 0.000) 4.630 8.262 ( -7.476 0.000 0.000) 7.476 8.400 ( 2.879 -0.000 0.000) 2.879 8.529 ( -1.096 0.000 0.000) 1.096 8.893 ( 3.418 -0.000 0.000) 3.418 9.073 ( -3.216 0.000 0.000) 3.216 9.124 ( -5.570 0.000 0.000) 5.570 9.181 ( 4.906 -0.000 0.000) 4.906 9.427 ( -7.892 0.000 0.000) 7.892 9.560 ( 1.670 -0.000 0.000) 1.670 9.634 ( 3.798 -0.000 0.000) 3.798 9.840 ( 1.857 -0.000 0.000) 1.857 10.232 ( 12.582 -0.000 0.000) 12.582 10.832 ( 3.075 -0.000 0.000) 3.075 10.929 ( -9.017 0.000 0.000) 9.017 11.058 ( -8.471 0.000 0.000) 8.471 11.200 ( 0.690 -0.000 0.000) 0.690 11.668 ( 6.582 -0.000 0.000) 6.582 11.945 ( 4.953 -0.000 0.000) 4.953 12.494 ( -2.096 0.000 0.000) 2.096 12.496 ( -0.286 0.000 0.000) 0.286 12.530 ( 0.259 -0.000 0.000) 0.259 12.640 ( 2.172 -0.000 0.000) 2.172 12.712 ( -5.620 0.000 0.000) 5.620 12.966 ( -10.859 0.000 0.000) 10.859 13.325 ( -7.858 0.000 0.000) 7.858 13.417 ( -8.832 0.000 0.000) 8.832 13.629 ( -0.860 0.000 0.000) 0.860 13.732 ( -1.299 0.000 0.000) 1.299 14.258 ( 4.305 -0.000 0.000) 4.305 14.814 ( 4.547 -0.000 0.000) 4.547 15.149 ( 13.374 -0.000 0.000) 13.374 15.200 ( 5.453 -0.000 0.000) 5.453 15.961 ( 2.638 -0.000 0.000) 2.638 16.101 ( 4.410 -0.000 0.000) 4.410 ======================= Grid point 43 (25/75) ======================= q-point: (-0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( -0.000 4.605 0.000) 4.605 0.974 ( -0.000 9.870 0.000) 9.870 1.003 ( 0.000 -2.086 0.000) 2.086 1.019 ( 0.000 -0.297 0.000) 0.297 1.206 ( -0.000 0.056 0.000) 0.056 1.224 ( -0.000 0.909 0.000) 0.909 1.284 ( 0.000 -6.937 0.000) 6.937 1.601 ( -0.000 6.215 0.000) 6.215 1.707 ( -0.000 1.403 0.000) 1.403 1.731 ( 0.000 -5.815 0.000) 5.815 1.740 ( -0.000 2.031 0.000) 2.031 1.772 ( -0.000 3.655 0.000) 3.655 1.873 ( -0.000 0.431 0.000) 0.431 1.891 ( 0.000 -4.867 0.000) 4.867 1.904 ( -0.000 12.042 0.000) 12.042 1.972 ( -0.000 0.364 0.000) 0.364 2.032 ( -0.000 3.010 0.000) 3.010 2.074 ( 0.000 -2.730 0.000) 2.730 2.101 ( 0.000 -2.269 0.000) 2.269 2.193 ( 0.000 -0.804 0.000) 0.804 2.226 ( 0.000 -0.617 0.000) 0.617 2.270 ( -0.000 0.761 0.000) 0.761 2.290 ( -0.000 3.154 0.000) 3.154 2.379 ( 0.000 -2.392 0.000) 2.392 2.379 ( -0.000 0.573 0.000) 0.573 2.724 ( -0.000 0.021 0.000) 0.021 2.799 ( -0.000 7.190 0.000) 7.190 2.817 ( 0.000 -0.291 0.000) 0.291 2.903 ( -0.000 0.187 0.000) 0.187 2.975 ( 0.000 -2.585 0.000) 2.585 3.003 ( -0.000 0.178 0.000) 0.178 3.173 ( 0.000 -1.254 0.000) 1.254 3.212 ( 0.000 -11.590 0.000) 11.590 3.237 ( 0.000 -2.362 0.000) 2.362 3.251 ( -0.000 0.801 0.000) 0.801 3.355 ( 0.000 -0.829 0.000) 0.829 3.877 ( -0.000 0.135 0.000) 0.135 3.938 ( -0.000 0.282 0.000) 0.282 4.063 ( 0.000 -0.210 0.000) 0.210 4.145 ( 0.000 -2.237 0.000) 2.237 4.165 ( 0.000 -0.380 0.000) 0.380 4.372 ( 0.000 -0.156 0.000) 0.156 4.508 ( -0.000 0.888 0.000) 0.888 4.641 ( -0.000 1.560 0.000) 1.560 4.653 ( -0.000 0.822 0.000) 0.822 4.779 ( -0.000 0.875 0.000) 0.875 4.814 ( 0.000 -0.032 0.000) 0.032 5.318 ( -0.000 0.107 0.000) 0.107 5.704 ( -0.000 0.319 0.000) 0.319 5.761 ( -0.000 0.253 0.000) 0.253 5.964 ( -0.000 0.011 0.000) 0.011 6.068 ( -0.000 0.047 0.000) 0.047 6.331 ( -0.000 0.350 0.000) 0.350 6.418 ( -0.000 0.220 0.000) 0.220 6.500 ( -0.000 0.816 0.000) 0.816 6.719 ( 0.000 -0.113 0.000) 0.113 6.743 ( -0.000 0.050 0.000) 0.050 6.983 ( -0.000 3.127 0.000) 3.127 7.254 ( -0.000 1.165 0.000) 1.165 7.440 ( -0.000 0.013 0.000) 0.013 7.452 ( -0.000 0.364 0.000) 0.364 7.457 ( -0.000 1.069 0.000) 1.069 7.510 ( 0.000 -0.061 0.000) 0.061 7.621 ( 0.000 -1.439 0.000) 1.439 7.705 ( 0.000 -0.117 0.000) 0.117 7.716 ( 0.000 -2.183 0.000) 2.183 8.016 ( -0.000 0.024 0.000) 0.024 8.189 ( 0.000 -4.324 0.000) 4.324 8.189 ( 0.000 -0.145 0.000) 0.145 8.434 ( 0.000 -0.562 0.000) 0.562 8.515 ( -0.000 0.096 0.000) 0.096 8.942 ( 0.000 -1.527 0.000) 1.527 9.028 ( 0.000 -0.003 0.000) 0.003 9.065 ( -0.000 0.211 0.000) 0.211 9.253 ( 0.000 -0.406 0.000) 0.406 9.327 ( 0.000 -0.116 0.000) 0.116 9.581 ( -0.000 0.579 0.000) 0.579 9.665 ( -0.000 0.967 0.000) 0.967 9.862 ( 0.000 -0.332 0.000) 0.332 10.388 ( -0.000 0.056 0.000) 0.056 10.818 ( 0.000 -1.194 0.000) 1.194 10.899 ( 0.000 -1.519 0.000) 1.519 10.943 ( 0.000 -0.065 0.000) 0.065 11.209 ( 0.000 -0.707 0.000) 0.707 11.736 ( 0.000 -0.164 0.000) 0.164 11.992 ( -0.000 0.169 0.000) 0.169 12.470 ( -0.000 1.097 0.000) 1.097 12.491 ( -0.000 0.036 0.000) 0.036 12.535 ( 0.000 -0.597 0.000) 0.597 12.657 ( -0.000 0.588 0.000) 0.588 12.669 ( 0.000 -1.680 0.000) 1.680 12.856 ( -0.000 0.052 0.000) 0.052 13.244 ( 0.000 -0.010 0.000) 0.010 13.328 ( -0.000 0.028 0.000) 0.028 13.621 ( 0.000 -0.065 0.000) 0.065 13.725 ( 0.000 -0.180 0.000) 0.180 14.289 ( -0.000 2.350 0.000) 2.350 14.860 ( 0.000 -0.603 0.000) 0.603 15.152 ( -0.000 14.706 0.000) 14.706 15.372 ( 0.000 -13.399 0.000) 13.399 15.984 ( -0.000 0.763 0.000) 0.763 16.139 ( -0.000 1.069 0.000) 1.069 ======================= Grid point 85 (26/75) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.337 ( 0.000 0.000 17.936) 17.936 0.376 ( 0.000 0.000 20.201) 20.201 0.653 ( 0.000 0.000 29.405) 29.405 0.960 ( 0.000 0.000 -6.132) 6.132 1.065 ( 0.000 0.000 -16.857) 16.857 1.144 ( 0.000 0.000 3.375) 3.375 1.270 ( 0.000 0.000 -2.869) 2.869 1.371 ( 0.000 0.000 -1.210) 1.210 1.460 ( 0.000 0.000 0.778) 0.778 1.588 ( 0.000 0.000 11.012) 11.012 1.596 ( 0.000 0.000 5.264) 5.264 1.730 ( 0.000 0.000 -3.509) 3.509 1.842 ( 0.000 0.000 -14.003) 14.003 1.853 ( 0.000 0.000 -2.293) 2.293 1.872 ( 0.000 0.000 0.295) 0.295 1.963 ( 0.000 0.000 -3.006) 3.006 2.103 ( 0.000 0.000 -1.288) 1.288 2.104 ( 0.000 0.000 -1.068) 1.068 2.162 ( 0.000 0.000 3.311) 3.311 2.178 ( 0.000 0.000 3.698) 3.698 2.227 ( 0.000 0.000 4.011) 4.011 2.275 ( 0.000 0.000 -1.972) 1.972 2.329 ( 0.000 0.000 -3.009) 3.009 2.374 ( 0.000 0.000 -2.739) 2.739 2.746 ( 0.000 0.000 1.867) 1.867 2.770 ( 0.000 0.000 1.757) 1.757 2.787 ( 0.000 0.000 0.609) 0.609 2.841 ( 0.000 0.000 1.654) 1.654 2.846 ( 0.000 0.000 -2.435) 2.435 2.992 ( 0.000 0.000 -4.775) 4.775 3.012 ( 0.000 0.000 0.313) 0.313 3.109 ( 0.000 0.000 -5.273) 5.273 3.396 ( 0.000 0.000 6.443) 6.443 3.439 ( 0.000 0.000 2.467) 2.467 3.639 ( 0.000 0.000 2.178) 2.178 3.730 ( 0.000 0.000 -3.371) 3.371 3.862 ( 0.000 0.000 0.400) 0.400 3.935 ( 0.000 0.000 -2.601) 2.601 4.000 ( 0.000 0.000 -5.125) 5.125 4.034 ( 0.000 0.000 -6.947) 6.947 4.243 ( 0.000 0.000 2.357) 2.357 4.367 ( 0.000 0.000 -3.501) 3.501 4.441 ( 0.000 0.000 16.330) 16.330 4.556 ( 0.000 0.000 19.072) 19.072 4.563 ( 0.000 0.000 2.759) 2.759 4.641 ( 0.000 0.000 -1.148) 1.148 4.907 ( 0.000 0.000 8.516) 8.516 5.240 ( 0.000 0.000 -6.388) 6.388 5.274 ( 0.000 0.000 -23.207) 23.207 5.508 ( 0.000 0.000 -25.472) 25.472 6.098 ( 0.000 0.000 3.926) 3.926 6.123 ( 0.000 0.000 20.502) 20.502 6.324 ( 0.000 0.000 -6.236) 6.236 6.327 ( 0.000 0.000 5.235) 5.235 6.579 ( 0.000 0.000 5.380) 5.380 6.668 ( 0.000 0.000 -8.178) 8.178 6.751 ( 0.000 0.000 1.090) 1.090 6.753 ( 0.000 0.000 1.534) 1.534 7.175 ( 0.000 0.000 6.629) 6.629 7.389 ( 0.000 0.000 -3.745) 3.745 7.448 ( 0.000 0.000 1.039) 1.039 7.504 ( 0.000 0.000 -1.359) 1.359 7.556 ( 0.000 0.000 2.862) 2.862 7.681 ( 0.000 0.000 1.234) 1.234 7.755 ( 0.000 0.000 3.669) 3.669 7.951 ( 0.000 0.000 -5.422) 5.422 8.037 ( 0.000 0.000 4.099) 4.099 8.268 ( 0.000 0.000 5.366) 5.366 8.374 ( 0.000 0.000 -11.804) 11.804 8.465 ( 0.000 0.000 -3.888) 3.888 8.789 ( 0.000 0.000 3.325) 3.325 8.999 ( 0.000 0.000 -5.000) 5.000 9.035 ( 0.000 0.000 0.430) 0.430 9.071 ( 0.000 0.000 4.328) 4.328 9.088 ( 0.000 0.000 -1.850) 1.850 9.287 ( 0.000 0.000 -5.351) 5.351 9.546 ( 0.000 0.000 7.597) 7.597 9.830 ( 0.000 0.000 -5.122) 5.122 10.470 ( 0.000 0.000 8.948) 8.948 10.560 ( 0.000 0.000 10.965) 10.965 10.867 ( 0.000 0.000 -8.520) 8.520 11.050 ( 0.000 0.000 -11.907) 11.907 11.226 ( 0.000 0.000 1.307) 1.307 11.273 ( 0.000 0.000 -0.149) 0.149 11.660 ( 0.000 0.000 4.722) 4.722 11.801 ( 0.000 0.000 -2.114) 2.114 12.535 ( 0.000 0.000 0.029) 0.029 12.545 ( 0.000 0.000 5.855) 5.855 12.560 ( 0.000 0.000 -1.715) 1.715 12.797 ( 0.000 0.000 -5.302) 5.302 12.823 ( 0.000 0.000 8.809) 8.809 13.210 ( 0.000 0.000 -8.878) 8.878 13.263 ( 0.000 0.000 1.611) 1.611 13.317 ( 0.000 0.000 -0.849) 0.849 13.773 ( 0.000 0.000 1.407) 1.407 13.856 ( 0.000 0.000 -2.335) 2.335 13.994 ( 0.000 0.000 5.090) 5.090 14.180 ( 0.000 0.000 -3.410) 3.410 14.867 ( 0.000 0.000 2.115) 2.115 14.942 ( 0.000 0.000 -1.190) 1.190 15.868 ( 0.000 0.000 2.782) 2.782 15.991 ( 0.000 0.000 -2.505) 2.505 ======================= Grid point 86 (27/75) ======================= q-point: ( 0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( 11.777 -7.369 11.662) 18.138 0.534 ( 12.410 -4.818 12.979) 18.592 0.949 ( 18.445 -4.437 4.500) 19.497 1.035 ( 10.517 -3.346 6.426) 12.771 1.106 ( 2.907 -1.772 -11.851) 12.331 1.147 ( 0.863 -0.459 2.643) 2.818 1.261 ( -0.948 0.367 -2.726) 2.909 1.370 ( -0.940 3.790 5.333) 6.609 1.430 ( 1.512 -4.000 0.428) 4.297 1.586 ( 1.497 -0.391 7.749) 7.902 1.662 ( 6.666 -1.161 8.092) 10.548 1.746 ( 1.188 -0.571 -2.752) 3.052 1.862 ( 1.306 0.051 -6.209) 6.345 1.867 ( 1.728 -0.711 -5.511) 5.819 1.887 ( 1.586 0.831 -0.476) 1.853 1.989 ( 3.091 1.426 -3.738) 5.056 2.079 ( -1.323 0.804 0.551) 1.643 2.101 ( -1.222 1.295 0.321) 1.809 2.116 ( -1.508 0.827 1.360) 2.192 2.177 ( -1.383 0.746 4.486) 4.753 2.208 ( -0.551 -2.879 3.113) 4.276 2.238 ( -3.556 0.324 -1.880) 4.036 2.300 ( -2.309 1.117 -2.392) 3.507 2.361 ( -2.231 -1.277 -2.506) 3.590 2.462 ( -6.636 1.974 7.817) 10.442 2.626 ( -5.520 -0.124 0.870) 5.590 2.808 ( -1.185 2.194 0.565) 2.557 2.915 ( 1.056 1.219 -4.356) 4.645 3.015 ( 10.157 2.441 -0.492) 10.457 3.036 ( 3.823 -0.290 0.241) 3.841 3.116 ( 8.956 3.145 -5.292) 10.868 3.158 ( 6.186 -1.189 -6.739) 9.224 3.344 ( -1.873 0.343 4.498) 4.884 3.422 ( 2.479 0.512 4.489) 5.153 3.533 ( -9.287 -0.082 5.621) 10.856 3.761 ( -0.774 1.109 -3.362) 3.624 3.839 ( -3.145 -2.337 -10.088) 10.822 4.002 ( 6.292 3.348 -10.612) 12.783 4.120 ( 5.366 0.266 -0.114) 5.374 4.168 ( 6.361 -4.033 -2.398) 7.904 4.308 ( -0.054 0.572 5.430) 5.460 4.331 ( 1.104 -1.467 3.377) 3.844 4.473 ( 0.021 2.653 11.114) 11.426 4.532 ( 1.849 -4.779 10.258) 11.467 4.619 ( 5.324 -0.773 3.900) 6.645 4.703 ( 4.221 -0.366 -2.469) 4.904 4.990 ( 6.099 0.983 10.768) 12.415 5.232 ( -0.902 0.218 -9.830) 9.873 5.279 ( 0.638 -0.495 -21.054) 21.069 5.542 ( 2.812 -1.750 -19.775) 20.050 6.068 ( -3.506 0.883 10.520) 11.124 6.077 ( -3.166 -0.459 9.360) 9.892 6.336 ( -0.389 -1.363 6.116) 6.278 6.402 ( 6.074 -0.318 -5.022) 7.888 6.528 ( -2.586 0.501 1.788) 3.183 6.578 ( -5.387 -1.695 -4.968) 7.521 6.829 ( 2.922 0.483 -3.385) 4.498 6.835 ( 6.635 0.069 0.522) 6.656 7.180 ( 0.767 0.260 5.627) 5.685 7.379 ( -0.922 -0.040 -3.786) 3.897 7.469 ( 1.923 -0.017 0.977) 2.157 7.519 ( 1.265 0.266 2.091) 2.458 7.558 ( 1.199 1.904 2.082) 3.066 7.630 ( -2.516 -0.008 5.871) 6.388 7.801 ( 3.863 -0.017 2.980) 4.879 7.954 ( -1.795 0.778 -2.046) 2.831 8.027 ( 1.647 0.769 0.155) 1.825 8.327 ( 5.605 0.257 5.714) 8.008 8.359 ( -0.782 0.077 -12.725) 12.749 8.635 ( 9.814 6.036 -11.140) 16.026 8.766 ( -0.427 2.148 2.433) 3.274 8.958 ( -0.813 4.546 -4.423) 6.395 9.049 ( 0.297 -1.872 -0.871) 2.086 9.081 ( 0.758 -0.419 3.340) 3.450 9.106 ( 0.272 -2.995 -1.229) 3.248 9.321 ( 3.346 -0.246 -6.299) 7.136 9.521 ( -2.903 -1.357 6.882) 7.592 9.778 ( -6.498 -0.549 -2.993) 7.176 10.153 ( -16.637 7.821 22.200) 28.824 10.298 ( -14.854 0.126 6.965) 16.406 10.943 ( 1.778 2.789 -1.238) 3.532 11.047 ( 0.601 4.185 -0.497) 4.257 11.089 ( 1.426 0.221 -5.418) 5.607 11.242 ( -3.842 -0.804 -2.295) 4.547 11.651 ( -3.178 -3.267 5.403) 7.069 11.790 ( -2.104 -2.229 -1.053) 3.241 12.464 ( -2.841 0.434 6.636) 7.231 12.530 ( -0.484 -0.339 0.011) 0.591 12.573 ( -0.011 0.058 0.902) 0.904 12.796 ( 3.728 3.889 9.075) 10.554 12.926 ( 9.079 1.641 -10.759) 14.173 13.095 ( -2.197 4.988 -5.449) 7.707 13.405 ( 10.888 2.853 3.875) 11.904 13.577 ( 12.219 3.809 -5.088) 13.773 13.752 ( 1.921 8.673 1.272) 8.974 13.819 ( -0.675 4.450 -0.771) 4.566 14.018 ( 2.322 -1.597 4.772) 5.542 14.230 ( 0.171 -8.281 -3.428) 8.964 14.793 ( -7.051 -2.445 2.784) 7.965 15.077 ( -6.129 -22.562 -12.656) 26.585 15.854 ( -1.838 -1.021 2.806) 3.506 15.971 ( -2.417 -1.018 -1.715) 3.134 ======================= Grid point 87 (28/75) ======================= q-point: ( 0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( 13.469 -6.135 6.226) 16.057 0.810 ( 12.502 -6.280 7.049) 15.666 1.099 ( 2.635 0.722 -0.830) 2.855 1.157 ( 2.094 -1.155 -3.824) 4.510 1.182 ( 4.518 0.241 -5.024) 6.761 1.241 ( 2.043 -0.717 -2.420) 3.248 1.349 ( 4.223 -2.323 2.886) 5.618 1.515 ( 10.946 -2.877 -1.121) 11.373 1.561 ( 15.130 -5.919 7.365) 17.839 1.653 ( 5.105 -2.632 6.361) 8.571 1.772 ( 1.517 -0.365 -1.512) 2.173 1.787 ( 4.002 -1.339 3.053) 5.208 1.877 ( 2.798 3.690 1.214) 4.788 1.901 ( 0.388 0.610 -1.239) 1.434 1.920 ( 2.108 -0.280 -2.328) 3.153 2.026 ( -3.256 1.076 3.354) 4.796 2.030 ( 1.068 2.312 -1.645) 3.032 2.066 ( -0.050 0.538 -0.979) 1.119 2.104 ( -1.208 0.910 -0.428) 1.572 2.143 ( -2.709 -0.803 2.835) 4.003 2.175 ( -2.696 -1.396 -2.349) 3.839 2.231 ( -1.189 -0.189 -1.546) 1.960 2.281 ( 3.976 -3.608 -2.941) 6.122 2.318 ( -3.221 -1.743 -1.875) 4.115 2.397 ( -1.090 0.667 3.693) 3.908 2.564 ( -2.390 -1.789 -1.490) 3.336 2.768 ( -1.109 2.107 0.927) 2.555 2.877 ( -0.800 2.974 -6.183) 6.908 3.071 ( 1.482 -0.342 2.197) 2.672 3.204 ( 2.577 1.674 -3.425) 4.601 3.250 ( 4.909 3.313 0.354) 5.933 3.292 ( 13.204 1.347 -1.194) 13.326 3.380 ( -3.277 -1.480 4.309) 5.612 3.432 ( 9.308 1.089 0.722) 9.400 3.484 ( 5.179 -0.888 -0.717) 5.303 3.748 ( -3.932 -1.134 -9.855) 10.671 3.794 ( 0.298 -1.442 -0.449) 1.540 4.091 ( 7.546 7.749 -6.097) 12.416 4.165 ( 2.111 1.296 0.227) 2.487 4.260 ( 1.980 1.388 3.835) 4.534 4.273 ( -0.359 0.732 4.160) 4.239 4.350 ( -1.501 -2.243 7.633) 8.096 4.462 ( 1.321 0.912 6.900) 7.084 4.622 ( 2.708 -2.178 -0.795) 3.565 4.747 ( 7.427 -0.640 5.086) 9.024 4.783 ( 4.180 -0.668 -0.987) 4.347 5.079 ( 4.576 0.581 13.522) 14.287 5.208 ( -1.336 0.371 -12.010) 12.089 5.305 ( 1.039 -1.611 -16.319) 16.432 5.618 ( 2.753 -2.517 -8.022) 8.847 5.991 ( -3.607 0.978 7.334) 8.231 6.015 ( -3.895 -0.513 7.144) 8.153 6.299 ( -4.254 -0.304 3.227) 5.348 6.425 ( -5.853 -2.513 -11.680) 13.304 6.530 ( 2.679 0.092 -0.960) 2.847 6.582 ( 4.673 -1.376 -3.213) 5.836 6.852 ( 0.339 -0.878 0.273) 0.980 6.940 ( 4.153 0.403 -1.367) 4.391 7.200 ( 1.847 0.499 4.094) 4.519 7.365 ( -0.494 0.030 -3.383) 3.419 7.487 ( -0.015 1.377 4.023) 4.252 7.539 ( 1.598 0.293 10.693) 10.816 7.578 ( 2.640 1.691 2.233) 3.849 7.633 ( 1.834 -1.155 3.067) 3.756 7.862 ( -3.955 2.250 -0.255) 4.557 7.863 ( 1.385 0.590 2.082) 2.569 8.100 ( 4.832 -0.856 -2.985) 5.744 8.350 ( 0.237 0.721 -13.688) 13.709 8.418 ( 3.776 1.641 3.112) 5.161 8.624 ( -0.637 8.651 -2.678) 9.079 8.753 ( 1.218 4.504 2.749) 5.415 8.927 ( -1.226 0.701 -4.881) 5.081 9.069 ( 0.026 -1.400 0.871) 1.649 9.099 ( 0.143 -1.268 1.222) 1.766 9.142 ( 2.185 -1.350 -1.026) 2.766 9.367 ( -0.500 -0.234 -6.947) 6.969 9.504 ( 0.891 -3.085 2.980) 4.381 9.672 ( -3.235 -1.591 1.140) 3.781 9.993 ( -1.256 3.363 9.136) 9.816 10.064 ( -9.049 -0.594 7.663) 11.873 10.900 ( -1.868 1.821 3.128) 4.072 11.067 ( 0.627 3.717 -8.906) 9.671 11.141 ( 3.126 -0.639 -7.230) 7.902 11.178 ( -2.327 0.023 -2.694) 3.560 11.621 ( -1.562 -1.595 8.394) 8.685 11.762 ( -2.981 -2.823 2.049) 4.589 12.431 ( -1.094 -0.379 3.822) 3.994 12.524 ( -0.613 -0.576 -0.045) 0.843 12.570 ( -0.186 0.009 1.667) 1.677 12.848 ( -0.057 5.699 -1.651) 5.934 12.896 ( 1.416 3.385 -0.910) 3.780 13.207 ( 10.386 2.262 -9.598) 14.322 13.574 ( 9.269 3.320 5.784) 11.419 13.687 ( 2.488 -0.588 1.991) 3.240 13.731 ( 3.541 8.406 -1.311) 9.215 13.772 ( -1.091 3.694 -0.675) 3.910 14.100 ( 4.534 -2.561 4.537) 6.906 14.295 ( 0.561 -7.117 -1.760) 7.353 14.660 ( -10.606 -6.239 4.097) 12.969 15.033 ( -10.829 -10.233 -10.644) 18.311 15.823 ( -2.458 -1.667 2.756) 4.052 15.924 ( -3.502 -0.993 -1.101) 3.803 ======================= Grid point 88 (29/75) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 5.160 -2.532 4.022) 7.015 1.073 ( 6.480 -1.014 3.555) 7.460 1.121 ( 3.033 -1.294 0.401) 3.322 1.193 ( 0.461 0.857 -1.622) 1.892 1.233 ( 5.994 -3.743 0.012) 7.067 1.400 ( 10.515 -1.101 -4.293) 11.411 1.482 ( 8.344 -3.399 0.025) 9.010 1.652 ( 6.146 -1.983 -4.864) 8.085 1.720 ( 3.855 -0.787 2.358) 4.587 1.791 ( 0.519 0.229 -1.093) 1.231 1.808 ( 0.499 -0.199 1.459) 1.555 1.828 ( 1.233 0.765 1.451) 2.052 1.870 ( -3.156 0.140 0.112) 3.161 1.901 ( -2.142 0.845 -1.139) 2.569 1.932 ( -3.204 1.676 1.871) 4.071 1.967 ( -2.860 1.557 0.968) 3.398 1.998 ( -1.700 3.264 0.136) 3.683 2.045 ( -2.104 -0.476 -0.347) 2.185 2.113 ( -0.503 0.454 -2.390) 2.485 2.129 ( 1.715 -1.622 -1.559) 2.829 2.181 ( 9.134 -3.848 5.862) 11.515 2.248 ( 0.386 -2.569 0.080) 2.599 2.285 ( -1.255 -3.133 -0.470) 3.408 2.394 ( 3.267 0.792 2.579) 4.237 2.447 ( 7.149 -3.499 -3.139) 8.556 2.554 ( -1.025 -3.243 -2.480) 4.209 2.744 ( 0.259 1.494 1.736) 2.305 2.859 ( 1.204 3.712 -3.900) 5.517 3.067 ( -2.410 0.507 5.689) 6.199 3.145 ( -3.795 0.802 3.770) 5.409 3.317 ( 3.418 -0.911 -4.048) 5.376 3.359 ( -0.499 -1.556 0.960) 1.895 3.442 ( 2.961 0.764 -7.773) 8.353 3.601 ( 4.754 2.161 -6.203) 8.109 3.672 ( 9.601 -0.554 -1.651) 9.758 3.694 ( 3.216 -0.306 -5.496) 6.376 3.851 ( 4.976 -0.329 6.222) 7.974 4.153 ( 5.165 5.759 4.788) 9.097 4.159 ( -1.141 2.484 4.012) 4.855 4.277 ( 2.006 0.417 0.488) 2.106 4.312 ( 2.117 0.739 8.488) 8.779 4.357 ( 5.427 1.440 -5.182) 7.641 4.466 ( -0.444 0.947 4.551) 4.670 4.663 ( 1.174 -0.335 -3.244) 3.466 4.842 ( 2.782 0.078 -1.581) 3.200 4.901 ( 7.747 -0.721 4.204) 8.844 5.127 ( -0.843 0.642 1.691) 1.996 5.183 ( -0.637 -1.015 0.722) 1.399 5.335 ( 1.004 -1.563 -9.111) 9.298 5.627 ( -4.967 -2.705 7.385) 9.302 5.944 ( -0.999 0.223 1.167) 1.553 5.954 ( -2.472 -0.060 0.966) 2.654 6.216 ( -3.680 0.706 -3.682) 5.254 6.326 ( -6.186 -2.423 -12.546) 14.197 6.588 ( 3.344 0.522 -1.625) 3.755 6.658 ( 1.527 -1.300 -6.242) 6.557 6.874 ( 1.094 -1.799 2.757) 3.469 6.970 ( -0.084 0.751 -1.764) 1.919 7.245 ( 3.425 0.379 5.129) 6.179 7.355 ( -0.770 -0.128 1.364) 1.571 7.462 ( -0.888 1.994 6.015) 6.399 7.558 ( -0.105 0.259 8.710) 8.714 7.634 ( 4.427 0.258 4.624) 6.407 7.682 ( 2.147 -0.965 0.948) 2.537 7.775 ( -1.380 2.371 -1.150) 2.975 7.885 ( 0.102 0.162 3.448) 3.454 8.183 ( 2.546 -2.288 -1.667) 3.807 8.348 ( 0.754 3.517 -10.686) 11.275 8.448 ( 2.438 2.174 -5.720) 6.587 8.537 ( -2.240 5.276 -3.870) 6.916 8.771 ( 2.481 0.889 4.637) 5.333 8.895 ( -1.522 0.480 -3.391) 3.748 9.071 ( -0.420 -0.235 5.089) 5.112 9.097 ( -0.620 -0.585 2.505) 2.646 9.197 ( 2.379 -0.913 -0.384) 2.577 9.321 ( -3.207 0.128 -4.615) 5.621 9.576 ( 2.957 -3.022 -2.936) 5.147 9.682 ( 1.601 -0.853 -1.579) 2.405 9.962 ( -0.283 0.376 8.224) 8.237 9.997 ( 0.087 0.030 7.706) 7.707 10.862 ( -0.839 1.576 0.527) 1.861 10.990 ( -5.347 1.184 -8.450) 10.070 11.171 ( 1.485 1.208 -4.302) 4.709 11.192 ( 1.437 -0.412 -9.052) 9.174 11.627 ( 1.002 -0.939 10.347) 10.438 11.730 ( -2.558 -2.178 6.410) 7.237 12.430 ( 0.132 -1.617 0.573) 1.721 12.515 ( -0.829 -0.391 -0.343) 0.978 12.568 ( -0.054 -0.417 2.270) 2.308 12.723 ( -3.931 6.920 -6.086) 10.019 12.999 ( 6.988 -0.751 4.443) 8.315 13.320 ( 3.863 4.005 -11.411) 12.695 13.669 ( 4.112 3.938 3.803) 6.847 13.703 ( 0.796 1.605 0.911) 2.010 13.732 ( -1.197 -1.659 0.523) 2.111 13.754 ( 2.234 3.046 0.332) 3.793 14.197 ( 3.491 -2.327 4.559) 6.196 14.361 ( 0.961 -4.135 3.932) 5.787 14.537 ( -5.249 -3.329 -0.163) 6.218 14.883 ( -11.053 -4.595 -9.018) 14.987 15.797 ( -1.709 -1.755 2.427) 3.448 15.865 ( -3.292 -0.338 -0.248) 3.319 ======================= Grid point 89 (30/75) ======================= q-point: ( 0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 1.531 -1.245 2.994) 3.586 1.083 ( -0.454 1.284 2.432) 2.788 1.181 ( 1.292 -0.257 -1.449) 1.958 1.193 ( -0.167 0.038 -1.559) 1.569 1.461 ( 11.839 -4.954 2.619) 13.098 1.597 ( 10.375 0.509 -2.155) 10.609 1.655 ( 3.566 -1.113 -0.415) 3.759 1.698 ( -4.693 0.983 0.146) 4.797 1.753 ( -3.291 -0.474 -0.639) 3.386 1.764 ( 0.184 0.131 0.579) 0.621 1.809 ( 2.416 -0.997 -1.307) 2.922 1.820 ( -0.101 0.984 0.304) 1.035 1.840 ( -1.861 -1.568 -0.572) 2.500 1.855 ( 0.701 0.665 0.512) 1.093 1.876 ( -1.322 -0.881 -0.766) 1.763 1.893 ( -2.217 1.424 -0.112) 2.637 1.926 ( -2.600 3.522 -0.517) 4.409 1.939 ( -5.877 1.368 -4.447) 7.496 2.134 ( 1.402 -0.407 -0.371) 1.507 2.155 ( -0.439 -0.591 -1.651) 1.808 2.249 ( -0.642 -2.364 0.124) 2.453 2.257 ( -0.224 0.097 -0.268) 0.362 2.434 ( 5.998 -1.822 3.888) 7.377 2.450 ( 2.535 -0.093 3.415) 4.254 2.563 ( 2.182 -2.415 -0.858) 3.366 2.580 ( 1.645 -1.266 -1.047) 2.325 2.765 ( 2.563 -0.602 1.871) 3.230 2.832 ( -2.132 2.811 0.589) 3.577 3.028 ( 1.282 1.560 4.018) 4.497 3.081 ( -4.305 -1.447 1.724) 4.858 3.359 ( 0.295 -1.231 -1.705) 2.124 3.364 ( 0.238 0.137 -1.260) 1.290 3.486 ( 2.739 -0.399 -11.066) 11.407 3.548 ( -3.422 1.229 -13.034) 13.531 3.774 ( 2.115 -0.195 2.199) 3.057 3.782 ( 1.900 0.806 1.882) 2.793 3.996 ( 7.602 -1.690 4.527) 9.008 4.103 ( -3.008 2.459 3.722) 5.380 4.217 ( 5.713 2.157 11.927) 13.400 4.284 ( -1.070 0.852 7.982) 8.098 4.332 ( 2.446 1.171 -0.364) 2.737 4.393 ( -4.753 -2.061 -3.695) 6.364 4.562 ( 11.670 2.932 -0.969) 12.072 4.670 ( -1.523 -0.331 -2.521) 2.964 4.888 ( 4.095 0.512 -8.704) 9.633 5.008 ( -5.090 -0.480 -11.065) 12.189 5.064 ( 4.027 -0.028 6.324) 7.497 5.166 ( -3.950 -0.616 7.034) 8.091 5.387 ( 4.637 -0.392 5.899) 7.513 5.507 ( -8.492 -1.764 12.495) 15.210 5.920 ( -0.616 -1.263 2.676) 3.022 5.938 ( -0.605 1.439 -7.401) 7.563 6.191 ( 1.491 0.222 -9.543) 9.661 6.244 ( -4.209 -0.811 -12.172) 12.905 6.636 ( 2.770 1.517 -2.961) 4.329 6.664 ( -1.642 -1.801 -4.927) 5.497 6.910 ( 1.372 -1.259 1.015) 2.121 6.944 ( -1.499 0.900 -0.679) 1.876 7.306 ( 3.033 0.701 9.066) 9.585 7.339 ( -1.438 -0.666 8.822) 8.963 7.453 ( 1.559 -0.442 1.630) 2.298 7.516 ( -3.147 1.764 0.447) 3.635 7.703 ( 1.845 -0.492 1.926) 2.712 7.714 ( 0.502 -0.374 0.123) 0.638 7.793 ( 4.384 1.167 6.036) 7.551 7.862 ( -2.893 -0.407 6.061) 6.728 8.238 ( 1.492 -3.924 -2.022) 4.660 8.306 ( -1.341 5.801 -5.539) 8.132 8.475 ( 0.827 -0.749 -9.384) 9.451 8.491 ( 0.198 2.422 -7.673) 8.049 8.813 ( 1.953 -1.543 0.839) 2.627 8.861 ( -1.651 1.455 -2.566) 3.380 9.069 ( -0.149 -1.632 5.517) 5.755 9.088 ( -0.265 1.748 5.164) 5.458 9.237 ( 1.367 -0.953 0.509) 1.742 9.270 ( -1.869 0.676 -1.734) 2.638 9.646 ( 2.483 -2.341 -4.896) 5.968 9.693 ( -0.709 1.222 -4.610) 4.822 9.985 ( 1.791 -0.656 9.303) 9.497 10.006 ( 0.104 0.149 8.539) 8.541 10.852 ( 1.187 1.327 -2.800) 3.318 10.894 ( -4.249 -0.357 -5.913) 7.290 11.190 ( 1.574 1.383 -6.800) 7.116 11.203 ( -0.648 -0.977 -8.835) 8.912 11.662 ( 2.102 -0.258 10.909) 11.113 11.700 ( -2.200 -0.896 9.759) 10.044 12.459 ( 1.252 -2.149 -1.836) 3.091 12.496 ( -1.271 0.745 -1.468) 2.080 12.578 ( 0.364 -1.887 1.698) 2.564 12.622 ( -1.953 4.775 -1.846) 5.479 13.142 ( 6.741 -3.410 -0.688) 7.585 13.279 ( -3.690 5.360 -7.202) 9.707 13.691 ( 1.153 0.713 1.494) 2.017 13.702 ( 0.204 1.142 0.511) 1.268 13.746 ( 0.092 -2.518 1.339) 2.853 13.760 ( 0.465 1.818 1.080) 2.165 14.267 ( 3.445 -0.392 6.075) 6.995 14.337 ( -5.457 -3.615 8.275) 10.551 14.577 ( 7.983 3.346 -7.018) 11.143 14.719 ( -10.174 -3.670 -8.040) 13.477 15.792 ( -0.062 -1.302 1.753) 2.185 15.816 ( -1.862 0.514 0.802) 2.091 ======================= Grid point 95 (31/75) ======================= q-point: ( 0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( 16.590 -0.000 8.231) 18.519 0.768 ( 13.196 -0.000 6.874) 14.879 1.108 ( 3.602 -0.000 -0.818) 3.694 1.142 ( 1.960 -0.000 -6.814) 7.091 1.186 ( 7.190 -0.000 -6.455) 9.662 1.237 ( -1.452 0.000 -2.125) 2.574 1.328 ( 5.715 -0.000 5.212) 7.735 1.495 ( 21.686 -0.000 13.095) 25.333 1.506 ( 6.268 -0.000 -3.882) 7.373 1.638 ( 4.171 -0.000 6.257) 7.520 1.768 ( 2.377 -0.000 -0.069) 2.378 1.778 ( 3.515 -0.000 1.741) 3.922 1.899 ( 1.449 -0.000 -1.697) 2.232 1.909 ( 3.324 -0.000 -4.326) 5.456 1.922 ( 2.395 -0.000 2.219) 3.265 2.034 ( -3.727 0.000 3.544) 5.143 2.061 ( -0.928 0.000 1.179) 1.501 2.062 ( 2.047 -0.000 -2.645) 3.344 2.121 ( 0.028 -0.000 -0.653) 0.654 2.133 ( -2.759 0.000 3.745) 4.652 2.157 ( -4.632 0.000 -1.390) 4.836 2.241 ( -4.187 0.000 -1.479) 4.440 2.241 ( 6.116 -0.000 -5.237) 8.052 2.297 ( -4.034 0.000 -1.739) 4.393 2.405 ( -1.038 0.000 3.231) 3.394 2.548 ( -3.008 0.000 -1.178) 3.230 2.788 ( -1.431 0.000 1.103) 1.807 2.901 ( -0.763 0.000 -5.420) 5.474 3.068 ( 1.417 -0.000 1.815) 2.303 3.212 ( 3.596 -0.000 -6.364) 7.309 3.298 ( 14.122 -0.000 0.271) 14.125 3.309 ( 2.516 -0.000 0.406) 2.549 3.347 ( -7.499 0.000 7.502) 10.608 3.439 ( 13.357 -0.000 -1.443) 13.435 3.479 ( 3.979 -0.000 0.089) 3.980 3.732 ( -5.366 0.000 -12.900) 13.972 3.786 ( 2.577 -0.000 2.156) 3.359 4.155 ( 6.366 -0.000 -10.238) 12.056 4.199 ( 3.049 -0.000 -2.160) 3.736 4.249 ( -0.226 0.000 11.139) 11.141 4.270 ( 2.767 -0.000 0.355) 2.790 4.335 ( -1.778 0.000 8.386) 8.573 4.480 ( 1.471 -0.000 9.203) 9.320 4.592 ( 3.989 -0.000 -2.439) 4.676 4.740 ( 7.783 -0.000 4.836) 9.163 4.779 ( 4.101 -0.000 -0.909) 4.201 5.089 ( 4.329 -0.000 14.258) 14.901 5.211 ( -1.600 0.000 -10.499) 10.620 5.290 ( 0.909 -0.000 -17.818) 17.841 5.596 ( 2.852 -0.000 -7.077) 7.631 6.003 ( -4.208 0.000 -1.593) 4.500 6.009 ( -3.324 0.000 15.624) 15.974 6.297 ( -3.155 0.000 3.484) 4.700 6.403 ( -6.461 0.000 -11.792) 13.446 6.533 ( 2.599 -0.000 -0.856) 2.737 6.570 ( 5.194 -0.000 -3.692) 6.372 6.844 ( -0.214 0.000 0.213) 0.302 6.943 ( 4.304 -0.000 -1.664) 4.615 7.206 ( 1.792 -0.000 3.290) 3.746 7.365 ( -0.419 0.000 -3.546) 3.571 7.498 ( 0.650 -0.000 3.045) 3.113 7.541 ( 1.017 -0.000 10.418) 10.468 7.607 ( 2.776 -0.000 -0.724) 2.869 7.610 ( 1.056 -0.000 7.840) 7.911 7.865 ( 2.643 -0.000 2.619) 3.720 7.883 ( -5.277 0.000 -1.351) 5.447 8.094 ( 4.334 -0.000 -2.443) 4.975 8.355 ( 0.595 -0.000 -14.849) 14.861 8.430 ( 4.320 -0.000 4.560) 6.281 8.743 ( -0.528 0.000 4.492) 4.523 8.750 ( -1.916 0.000 -10.210) 10.389 8.948 ( -2.456 0.000 -3.571) 4.334 9.040 ( 1.086 -0.000 2.837) 3.038 9.087 ( -0.331 0.000 3.657) 3.672 9.131 ( 3.041 -0.000 -1.890) 3.581 9.366 ( -0.186 0.000 -6.867) 6.870 9.477 ( 0.729 -0.000 2.971) 3.059 9.659 ( -3.203 0.000 0.705) 3.279 10.023 ( -2.468 0.000 9.066) 9.396 10.058 ( -9.727 0.000 8.008) 12.599 10.917 ( -2.587 0.000 3.918) 4.695 11.109 ( -2.589 0.000 -9.473) 9.820 11.123 ( 4.294 -0.000 -5.467) 6.951 11.177 ( -0.954 0.000 -3.058) 3.203 11.606 ( -0.872 0.000 7.834) 7.883 11.738 ( -2.553 0.000 2.407) 3.509 12.429 ( -1.450 0.000 4.765) 4.981 12.519 ( -0.613 0.000 0.045) 0.615 12.569 ( -0.264 0.000 1.614) 1.635 12.888 ( 5.338 -0.000 8.215) 9.797 12.934 ( -5.841 0.000 -12.120) 13.454 13.225 ( 10.242 -0.000 -9.885) 14.234 13.604 ( 8.234 -0.000 5.681) 10.004 13.681 ( 2.166 -0.000 1.612) 2.700 13.816 ( -2.066 0.000 -1.489) 2.546 13.822 ( 1.654 -0.000 -2.236) 2.781 14.089 ( 5.693 -0.000 9.781) 11.318 14.207 ( 0.891 -0.000 1.242) 1.529 14.615 ( -9.862 0.000 0.128) 9.863 14.924 ( -4.982 0.000 -12.792) 13.728 15.810 ( -2.344 0.000 3.102) 3.888 15.915 ( -3.122 0.000 -1.139) 3.323 ======================= Grid point 96 (32/75) ======================= q-point: ( 0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 6.860 -1.057 4.267) 8.147 1.046 ( 14.433 -1.416 4.919) 15.314 1.121 ( 0.034 0.571 1.921) 2.005 1.185 ( 2.644 -1.353 -2.462) 3.858 1.213 ( 0.015 0.403 -1.537) 1.589 1.387 ( 12.292 -0.558 -8.142) 14.754 1.446 ( 8.485 -1.104 2.213) 8.838 1.628 ( 6.567 -0.928 -4.941) 8.271 1.714 ( 4.118 -0.144 3.445) 5.371 1.791 ( 0.415 0.003 -0.286) 0.504 1.807 ( 3.291 -0.025 1.522) 3.626 1.815 ( 3.984 -1.308 1.930) 4.616 1.876 ( -3.905 0.265 -0.292) 3.925 1.905 ( -3.939 0.122 -0.393) 3.961 1.953 ( -4.555 0.781 2.289) 5.158 1.999 ( -0.437 1.961 2.661) 3.334 2.032 ( 0.036 0.470 -0.334) 0.577 2.072 ( -3.155 2.868 -1.085) 4.400 2.106 ( 2.682 -0.984 -2.355) 3.703 2.128 ( 1.563 1.709 -1.659) 2.849 2.153 ( 7.825 -0.310 4.704) 9.135 2.195 ( -0.316 -3.827 0.647) 3.894 2.228 ( -3.445 -3.073 -0.190) 4.620 2.402 ( 8.264 -0.694 -4.198) 9.295 2.413 ( 2.832 -0.094 1.406) 3.163 2.514 ( -1.336 -1.565 -2.359) 3.131 2.765 ( -0.470 0.936 2.466) 2.679 2.905 ( 1.513 1.829 -3.937) 4.597 3.068 ( -1.732 -0.216 3.181) 3.628 3.157 ( -6.971 0.593 5.772) 9.070 3.306 ( 2.820 -0.447 -3.588) 4.586 3.340 ( 0.960 -0.803 0.836) 1.505 3.454 ( 2.425 0.625 -6.379) 6.853 3.621 ( -0.340 0.387 -9.252) 9.266 3.665 ( 12.835 -0.165 -0.288) 12.839 3.687 ( 5.690 -0.368 -5.115) 7.660 3.848 ( 4.488 -0.057 6.361) 7.785 4.189 ( -0.678 1.211 3.797) 4.043 4.221 ( 0.851 2.341 13.106) 13.341 4.286 ( 3.170 1.174 -5.101) 6.120 4.322 ( 1.346 0.642 5.684) 5.876 4.346 ( 3.930 -2.259 -6.948) 8.296 4.504 ( 3.031 2.647 6.169) 7.366 4.647 ( 1.456 -1.247 -4.641) 5.022 4.844 ( 2.846 0.069 -1.715) 3.323 4.892 ( 8.449 -0.341 4.393) 9.529 5.145 ( -0.460 1.507 4.329) 4.607 5.167 ( -1.568 -1.219 -0.301) 2.008 5.312 ( 1.219 -1.027 -9.602) 9.733 5.593 ( -4.599 -1.343 8.303) 9.586 5.948 ( -2.914 0.211 11.495) 11.861 5.956 ( -0.598 0.078 -9.487) 9.506 6.232 ( -3.141 1.250 -2.521) 4.216 6.290 ( -5.583 -1.953 -12.891) 14.183 6.596 ( 3.938 0.438 -2.532) 4.703 6.640 ( 1.264 -0.771 -6.587) 6.751 6.854 ( 1.356 -0.709 3.260) 3.601 6.979 ( 0.040 0.378 -2.308) 2.339 7.249 ( 3.138 0.142 3.743) 4.887 7.355 ( -1.042 0.073 0.599) 1.203 7.487 ( -1.117 1.010 6.613) 6.783 7.559 ( 0.477 -0.086 10.583) 10.594 7.643 ( 3.052 0.851 3.634) 4.822 7.665 ( 2.489 -1.156 1.261) 3.020 7.802 ( -2.241 0.921 -1.769) 3.000 7.888 ( -0.052 0.177 3.181) 3.187 8.158 ( 2.111 -0.854 -0.567) 2.346 8.383 ( 2.486 0.956 -15.144) 15.377 8.475 ( 1.814 1.209 -2.068) 3.005 8.629 ( -5.622 5.377 -4.833) 9.158 8.764 ( 0.161 -2.013 3.285) 3.856 8.900 ( -2.022 0.454 -2.460) 3.217 9.066 ( -1.164 -0.097 5.055) 5.189 9.082 ( 1.569 -1.172 4.847) 5.228 9.185 ( 2.459 -0.475 -0.525) 2.559 9.324 ( -2.754 0.172 -4.370) 5.168 9.539 ( 3.730 -1.436 -3.471) 5.294 9.670 ( 2.773 -0.462 -1.739) 3.305 9.956 ( -2.073 -0.484 10.234) 10.453 10.005 ( 0.039 0.404 5.412) 5.427 10.880 ( -1.095 0.667 0.637) 1.432 11.004 ( -6.663 0.468 -6.577) 9.374 11.177 ( 1.478 -0.103 -7.744) 7.885 11.196 ( 1.767 0.549 -6.572) 6.827 11.613 ( 1.173 -0.605 9.239) 9.332 11.701 ( -1.961 -1.180 7.073) 7.434 12.413 ( -0.319 -0.492 2.063) 2.145 12.508 ( -0.715 -0.341 -0.097) 0.798 12.564 ( -0.314 -0.134 2.451) 2.475 12.810 ( -5.400 3.500 -8.660) 10.789 12.994 ( 6.069 -0.125 5.900) 8.465 13.364 ( 4.970 1.437 -13.236) 14.211 13.697 ( 2.250 -0.158 2.407) 3.298 13.706 ( 0.526 -0.170 0.862) 1.024 13.765 ( -0.980 3.655 0.300) 3.796 13.837 ( 2.592 5.502 -1.158) 6.191 14.156 ( 0.345 -2.351 13.600) 13.806 14.260 ( 0.591 -6.021 6.336) 8.760 14.518 ( 1.058 0.009 -5.226) 5.332 14.811 ( -9.260 -3.460 -11.400) 15.090 15.777 ( -1.395 -0.737 2.985) 3.376 15.861 ( -2.747 -0.125 -0.461) 2.788 ======================= Grid point 97 (33/75) ======================= q-point: ( 0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( 2.080 -0.660 3.525) 4.146 1.104 ( -0.562 1.292 2.039) 2.478 1.175 ( 1.598 -0.403 -1.529) 2.248 1.192 ( -0.531 -0.123 -1.577) 1.669 1.397 ( 13.531 -3.049 3.750) 14.368 1.608 ( 11.455 0.655 -4.787) 12.433 1.625 ( 8.336 -1.721 -0.269) 8.516 1.723 ( -3.227 1.483 -1.099) 3.717 1.746 ( -4.965 -0.259 0.129) 4.973 1.762 ( 0.730 -0.365 -0.126) 0.825 1.791 ( 0.958 -1.060 -0.116) 1.433 1.819 ( -0.942 -0.756 -0.196) 1.224 1.831 ( -1.358 0.134 0.193) 1.378 1.857 ( -4.261 -0.144 0.056) 4.263 1.868 ( 0.190 0.593 -1.388) 1.521 1.933 ( -2.603 2.567 1.515) 3.957 1.965 ( -4.841 2.084 -3.708) 6.444 1.999 ( -1.475 4.704 0.252) 4.936 2.124 ( -0.390 -1.267 -1.133) 1.744 2.146 ( 1.138 -0.122 -1.434) 1.835 2.200 ( 0.252 -2.778 0.888) 2.927 2.239 ( 1.043 -2.560 -0.925) 2.915 2.417 ( 10.130 -0.602 4.008) 10.910 2.454 ( 2.789 0.547 2.117) 3.544 2.516 ( 1.556 -3.099 -0.647) 3.528 2.560 ( 4.599 -1.164 -1.455) 4.962 2.764 ( 1.066 0.309 3.594) 3.762 2.883 ( -2.788 3.412 -0.479) 4.432 3.033 ( -1.738 -1.434 2.315) 3.231 3.066 ( -2.102 0.050 3.657) 4.218 3.347 ( 1.231 -0.341 -2.875) 3.146 3.366 ( 1.420 -0.114 -0.478) 1.503 3.480 ( 1.251 -0.205 -9.573) 9.656 3.559 ( -3.771 0.163 -13.209) 13.738 3.768 ( 1.580 -0.298 0.969) 1.878 3.797 ( 2.081 0.862 2.171) 3.128 3.973 ( 6.850 -1.098 3.552) 7.794 4.139 ( -3.368 1.926 5.897) 7.059 4.240 ( 2.320 0.877 12.940) 13.175 4.297 ( -1.515 0.663 8.895) 9.048 4.339 ( -1.207 -0.670 -3.783) 4.027 4.376 ( 0.312 0.154 -2.830) 2.851 4.607 ( 7.752 2.717 -2.075) 8.473 4.663 ( -1.133 -0.692 -2.530) 2.857 4.894 ( 4.355 0.294 -8.765) 9.791 5.002 ( -6.372 -0.305 -10.898) 12.628 5.062 ( 4.815 -0.076 5.472) 7.289 5.160 ( -3.193 -0.112 7.194) 7.872 5.377 ( 6.029 -0.688 5.981) 8.520 5.482 ( -7.168 -1.429 13.398) 15.262 5.906 ( -0.989 -0.552 4.979) 5.107 5.960 ( 0.103 1.182 -9.839) 9.910 6.195 ( 0.283 0.489 -10.085) 10.101 6.230 ( -2.524 -1.087 -10.518) 10.871 6.636 ( -1.502 -1.291 -4.261) 4.699 6.659 ( 2.966 1.003 -4.393) 5.395 6.893 ( 1.841 -0.837 1.013) 2.262 6.959 ( -1.230 0.817 -0.882) 1.720 7.312 ( 2.799 0.183 7.485) 7.993 7.329 ( -1.318 -0.652 7.889) 8.025 7.458 ( -0.459 0.793 4.142) 4.242 7.538 ( -2.531 0.958 1.196) 2.959 7.694 ( 2.025 -0.564 1.861) 2.807 7.705 ( 0.878 -0.648 0.267) 1.124 7.808 ( 3.297 0.840 4.927) 5.987 7.858 ( -3.193 -0.150 5.543) 6.398 8.192 ( 0.920 -1.961 -0.500) 2.223 8.404 ( 0.745 5.668 -10.953) 12.355 8.453 ( -3.545 0.077 -5.413) 6.471 8.538 ( -0.217 1.631 -8.831) 8.982 8.778 ( -0.088 -2.460 2.097) 3.234 8.874 ( -0.912 0.087 -2.755) 2.903 9.040 ( -1.591 -1.488 6.522) 6.876 9.108 ( 0.565 0.734 5.519) 5.596 9.226 ( 1.659 -0.540 0.322) 1.774 9.282 ( -1.434 0.710 -2.041) 2.593 9.614 ( 3.190 -1.601 -5.106) 6.230 9.710 ( 0.795 0.907 -4.543) 4.700 9.959 ( 0.425 -1.832 10.598) 10.764 10.011 ( 0.622 0.047 6.960) 6.987 10.869 ( 0.605 0.883 -3.454) 3.616 10.891 ( -5.000 -0.152 -4.340) 6.623 11.185 ( -0.727 -0.645 -7.971) 8.030 11.218 ( 1.417 1.387 -8.205) 8.442 11.651 ( 2.204 -0.901 9.954) 10.235 11.680 ( -1.670 -1.382 10.452) 10.675 12.428 ( 1.160 -1.448 -0.597) 1.949 12.497 ( -0.765 -0.300 -0.758) 1.118 12.561 ( -0.271 -0.550 2.788) 2.854 12.698 ( -3.474 4.277 -5.033) 7.463 13.109 ( 5.851 -1.124 1.813) 6.227 13.360 ( -3.372 4.246 -11.558) 12.767 13.680 ( -1.969 -0.790 0.731) 2.244 13.711 ( -0.529 -0.514 -0.725) 1.034 13.767 ( 3.538 4.538 3.569) 6.772 13.836 ( 2.543 7.255 1.607) 7.854 14.178 ( -2.148 -9.633 10.435) 14.363 14.306 ( 2.522 -0.895 6.866) 7.370 14.614 ( 7.151 1.361 -7.553) 10.490 14.653 ( -10.029 -4.205 -8.990) 14.110 15.774 ( 0.474 -0.902 2.370) 2.579 15.823 ( -1.273 0.335 0.334) 1.358 ======================= Grid point 98 (34/75) ======================= q-point: (-0.56 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( 0.402 -0.750 2.981) 3.100 1.079 ( -1.121 1.454 2.408) 3.028 1.183 ( -0.716 0.021 -1.604) 1.757 1.190 ( -0.130 -0.392 -1.583) 1.636 1.540 ( -9.692 5.001 1.622) 11.026 1.596 ( -9.101 0.261 0.140) 9.106 1.639 ( 8.821 -1.892 2.306) 9.312 1.711 ( -3.795 1.485 -0.877) 4.169 1.751 ( 1.136 -0.626 -0.748) 1.497 1.764 ( 1.721 -0.235 -0.391) 1.780 1.792 ( -1.803 -2.001 0.706) 2.785 1.819 ( 0.668 -0.075 -0.720) 0.985 1.833 ( -0.470 -2.330 -0.643) 2.463 1.852 ( -0.300 -0.811 -0.306) 0.917 1.881 ( -0.190 1.150 -0.370) 1.223 1.886 ( 1.191 2.635 -2.238) 3.657 1.923 ( 5.984 -0.253 -2.737) 6.585 1.956 ( 1.809 4.243 -2.314) 5.161 2.132 ( -0.337 -1.153 0.405) 1.268 2.168 ( 1.442 1.270 -1.381) 2.367 2.227 ( 0.386 -2.295 1.048) 2.552 2.272 ( 1.583 -0.301 -1.176) 1.995 2.453 ( -2.030 0.420 2.288) 3.087 2.474 ( -2.070 2.771 2.864) 4.491 2.578 ( 0.030 -0.168 -0.652) 0.674 2.599 ( 0.377 0.869 -0.669) 1.160 2.777 ( -2.356 0.294 0.901) 2.539 2.809 ( -0.662 0.300 0.889) 1.148 2.999 ( -0.962 -1.997 4.917) 5.393 3.098 ( 3.307 0.664 2.100) 3.973 3.367 ( 1.221 0.611 -2.690) 3.016 3.382 ( 0.528 1.524 -1.244) 2.037 3.486 ( -3.525 -0.418 -11.822) 12.344 3.522 ( 2.053 -2.155 -11.576) 11.953 3.764 ( -2.619 -0.748 1.728) 3.226 3.786 ( -2.302 0.617 2.765) 3.650 4.019 ( -7.960 1.102 4.920) 9.422 4.070 ( 1.571 -1.785 2.300) 3.308 4.180 ( -8.489 -2.207 10.400) 13.605 4.272 ( 0.568 -0.606 10.107) 10.141 4.316 ( -1.212 -0.848 -0.383) 1.528 4.425 ( 4.043 1.734 -1.103) 4.536 4.522 ( -13.993 -2.140 -1.411) 14.225 4.676 ( 0.262 0.415 -3.939) 3.969 4.880 ( -3.409 -0.433 -8.641) 9.299 5.015 ( 5.539 0.373 -13.085) 14.214 5.063 ( -4.902 -0.017 8.272) 9.616 5.177 ( 4.722 0.759 6.610) 8.159 5.387 ( -3.519 -0.269 6.507) 7.402 5.532 ( 9.991 1.271 11.953) 15.631 5.919 ( 1.124 -0.924 -4.715) 4.934 5.943 ( 0.200 1.635 -0.079) 1.649 6.183 ( -1.274 -0.820 -9.984) 10.098 6.257 ( 4.893 0.886 -12.518) 13.470 6.612 ( -2.063 -1.398 -1.650) 2.989 6.690 ( 1.238 1.405 -5.802) 6.097 6.925 ( 0.334 0.149 0.241) 0.438 6.938 ( 0.669 0.598 0.158) 0.911 7.291 ( -2.727 -0.966 10.127) 10.532 7.349 ( 0.986 0.610 9.594) 9.664 7.469 ( -3.007 1.232 0.452) 3.281 7.490 ( 2.981 -1.405 0.250) 3.305 7.705 ( -1.237 -0.270 1.005) 1.616 7.717 ( -0.045 0.057 0.325) 0.333 7.774 ( -5.617 -1.158 6.982) 9.036 7.871 ( 2.748 0.643 6.045) 6.672 8.234 ( 1.378 -3.232 -3.716) 5.114 8.311 ( -3.222 4.839 -2.229) 6.226 8.430 ( -2.415 -2.665 -10.147) 10.766 8.516 ( -1.114 1.808 -9.691) 9.921 8.801 ( -0.773 -2.823 0.383) 2.952 8.854 ( -0.392 0.552 -1.030) 1.232 9.040 ( -0.650 -3.213 6.862) 7.605 9.101 ( 0.232 1.487 3.673) 3.970 9.254 ( -1.144 1.036 0.026) 1.544 9.263 ( 2.302 -0.212 -1.715) 2.878 9.671 ( 1.060 -0.818 -4.431) 4.629 9.686 ( -0.989 2.028 -4.943) 5.434 9.965 ( -2.102 -2.383 9.354) 9.879 10.015 ( -0.075 0.519 8.656) 8.671 10.832 ( -1.736 -1.136 -1.839) 2.772 10.901 ( 3.277 0.451 -7.220) 7.942 11.169 ( -1.659 -1.136 -6.010) 6.337 11.224 ( 0.343 1.459 -9.485) 9.603 11.657 ( -1.739 -0.849 11.674) 11.833 11.702 ( 2.691 -0.494 9.055) 9.459 12.473 ( 1.973 -1.822 -1.977) 3.335 12.482 ( -0.751 0.662 -1.806) 2.066 12.569 ( 0.435 -1.982 1.567) 2.563 12.620 ( -1.842 3.239 -1.172) 3.906 13.208 ( -7.990 4.435 -3.634) 9.834 13.215 ( 3.502 -2.624 -3.260) 5.457 13.667 ( -0.931 -1.260 -0.222) 1.583 13.690 ( -2.392 -0.788 -0.887) 2.670 13.788 ( 2.017 4.787 4.265) 6.721 13.817 ( 1.287 6.204 2.253) 6.725 14.221 ( -0.533 -5.465 2.596) 6.074 14.369 ( 2.497 -0.545 7.791) 8.200 14.520 ( -4.233 -3.418 -5.553) 7.774 14.758 ( 8.841 1.446 -7.310) 11.562 15.807 ( 2.240 -0.251 1.291) 2.598 15.812 ( 0.959 0.883 1.130) 1.726 ======================= Grid point 99 (35/75) ======================= q-point: (-0.44 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( -2.951 2.672 3.467) 5.279 1.071 ( -1.054 -0.692 2.924) 3.184 1.151 ( -2.738 1.679 -1.537) 3.561 1.180 ( -1.154 -0.572 -1.341) 1.860 1.314 ( -8.852 6.587 2.076) 11.228 1.421 ( -8.828 1.622 0.219) 8.978 1.544 ( -7.693 4.405 -2.264) 9.149 1.683 ( -5.500 1.869 -4.246) 7.195 1.734 ( -2.852 0.409 0.491) 2.923 1.763 ( -1.607 -3.572 -0.213) 3.923 1.801 ( 2.027 -1.123 0.589) 2.391 1.817 ( -1.147 0.537 1.674) 2.099 1.863 ( 0.485 -2.712 -0.171) 2.760 1.879 ( 1.468 -0.265 -0.384) 1.540 1.898 ( 3.985 -1.913 2.497) 5.077 1.941 ( 3.625 -1.058 0.761) 3.852 1.999 ( 3.668 2.365 -3.147) 5.381 2.053 ( 6.185 -0.023 -2.296) 6.598 2.121 ( -0.931 1.536 0.215) 1.809 2.158 ( -1.057 2.251 -1.195) 2.759 2.254 ( -0.042 -0.607 1.105) 1.262 2.271 ( -6.146 5.265 3.183) 8.696 2.323 ( -2.324 2.909 0.481) 3.754 2.390 ( -3.856 0.107 2.623) 4.665 2.504 ( -5.546 3.541 -2.138) 6.918 2.600 ( 0.889 2.325 -2.990) 3.891 2.729 ( -1.251 -0.260 0.711) 1.462 2.802 ( -1.655 -3.338 -3.543) 5.141 3.052 ( 3.617 -1.274 8.274) 9.119 3.134 ( 0.893 -0.629 2.793) 2.999 3.335 ( -4.048 1.422 -4.795) 6.435 3.384 ( 1.085 1.616 -0.191) 1.956 3.431 ( -3.165 -0.664 -8.507) 9.101 3.563 ( -6.927 -2.504 -4.704) 8.740 3.674 ( -6.822 -0.832 -4.228) 8.069 3.687 ( -4.496 -0.917 -1.641) 4.873 3.857 ( -5.601 0.293 5.975) 8.195 4.061 ( -7.984 -5.619 1.985) 9.963 4.118 ( 0.994 -2.750 4.093) 5.030 4.266 ( -2.385 -1.060 3.427) 4.308 4.293 ( -8.403 -1.872 3.383) 9.250 4.329 ( 1.286 -0.958 6.254) 6.457 4.471 ( 1.742 0.762 -0.062) 1.903 4.657 ( -1.840 -0.829 -3.409) 3.961 4.844 ( -2.323 0.319 -2.280) 3.271 4.912 ( -7.317 0.649 5.010) 8.891 5.124 ( 2.137 0.162 -4.114) 4.639 5.200 ( -0.275 1.069 4.756) 4.882 5.351 ( -1.127 0.424 -9.228) 9.306 5.668 ( 4.986 2.404 6.236) 8.338 5.940 ( 0.901 -0.247 -6.109) 6.180 5.962 ( 2.890 0.823 8.435) 8.954 6.208 ( 3.904 -0.368 -4.166) 5.721 6.362 ( 7.518 2.221 -13.298) 15.437 6.581 ( -2.232 -0.355 -0.552) 2.326 6.676 ( -1.929 1.028 -5.527) 5.943 6.906 ( -0.689 2.184 2.121) 3.122 6.959 ( 0.240 -0.562 -1.098) 1.256 7.239 ( -3.144 -0.305 7.165) 7.831 7.360 ( 0.520 0.384 2.985) 3.055 7.436 ( -0.168 -1.174 4.386) 4.544 7.549 ( 1.210 -0.903 5.658) 5.856 7.633 ( -5.594 -0.018 6.350) 8.462 7.690 ( -2.266 -0.242 0.524) 2.338 7.737 ( 0.112 -2.204 -0.166) 2.213 7.887 ( -0.292 0.504 3.636) 3.682 8.224 ( -3.243 2.730 -3.059) 5.228 8.290 ( 1.052 -3.455 -6.139) 7.123 8.394 ( -3.832 -4.469 -7.205) 9.305 8.493 ( -0.368 -0.851 -6.761) 6.824 8.756 ( -4.899 -0.746 5.620) 7.492 8.875 ( 1.089 -2.157 -2.098) 3.201 9.057 ( 0.307 -2.120 3.580) 4.172 9.108 ( 1.337 0.911 2.198) 2.730 9.211 ( -2.678 0.863 -0.892) 2.952 9.322 ( 3.848 0.239 -5.080) 6.378 9.624 ( -2.391 3.047 -1.978) 4.349 9.691 ( -0.153 0.282 -1.600) 1.632 9.936 ( -2.295 -2.595 7.641) 8.390 10.008 ( 0.720 0.915 8.415) 8.495 10.836 ( 0.611 -1.738 0.758) 1.992 10.972 ( 3.509 -1.087 -10.355) 10.987 11.150 ( -1.068 -1.290 -3.279) 3.681 11.203 ( -1.895 0.788 -9.278) 9.503 11.635 ( -0.585 0.131 11.433) 11.449 11.756 ( 3.405 0.959 5.633) 6.652 12.458 ( -0.538 1.798 -1.045) 2.148 12.514 ( 1.190 -0.605 -0.684) 1.500 12.580 ( -0.775 1.150 1.270) 1.880 12.624 ( 2.492 -5.308 -2.612) 6.419 13.024 ( -8.686 2.389 2.668) 9.395 13.258 ( -2.474 -3.454 -7.912) 8.981 13.629 ( -4.281 -1.233 1.513) 4.705 13.663 ( -1.910 -2.241 -0.948) 3.094 13.754 ( -2.227 1.940 3.689) 4.726 13.786 ( -0.477 5.115 1.620) 5.386 14.210 ( -3.353 -1.149 1.111) 3.715 14.373 ( -0.580 -1.421 -3.691) 3.997 14.608 ( 11.298 4.621 6.453) 13.807 14.929 ( 11.358 1.176 -6.609) 13.193 15.826 ( 2.149 1.854 1.723) 3.320 15.871 ( 4.121 0.424 0.007) 4.143 ======================= Grid point 100 (36/75) ======================= q-point: (-0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( -8.846 6.492 5.240) 12.160 0.948 ( -9.457 9.592 4.652) 14.251 1.089 ( -1.776 -0.365 0.602) 1.911 1.161 ( -2.283 -0.440 0.051) 2.325 1.185 ( -2.236 0.812 -2.604) 3.527 1.269 ( -5.330 2.664 -0.905) 6.027 1.394 ( -4.908 3.571 -1.689) 6.300 1.566 ( -5.526 3.202 -5.940) 8.722 1.641 ( -6.827 3.827 4.338) 8.949 1.747 ( -7.912 7.174 5.094) 11.833 1.770 ( -0.786 -2.340 -1.038) 2.678 1.812 ( -1.224 -2.005 0.975) 2.543 1.826 ( -7.723 3.559 4.443) 9.595 1.887 ( -1.404 -0.995 0.509) 1.795 1.919 ( 0.160 0.019 -2.006) 2.012 1.991 ( 1.447 -2.297 0.650) 2.792 2.009 ( 1.727 -0.762 1.383) 2.340 2.069 ( 1.452 0.902 -1.419) 2.222 2.106 ( -1.627 1.332 -1.060) 2.355 2.146 ( 1.913 -0.250 -0.702) 2.053 2.202 ( 3.330 2.416 0.099) 4.116 2.246 ( -1.220 1.479 -0.122) 1.921 2.312 ( 0.617 -2.511 0.579) 2.650 2.342 ( -3.151 3.755 -2.689) 5.591 2.406 ( 0.721 1.861 1.917) 2.767 2.594 ( 0.781 1.780 -2.589) 3.237 2.739 ( 1.051 -1.336 0.455) 1.760 2.817 ( 0.400 -4.445 -7.068) 8.359 3.076 ( -1.537 0.206 3.159) 3.520 3.156 ( -2.610 -3.567 2.647) 5.151 3.225 ( -8.805 -0.601 -3.693) 9.567 3.278 ( -11.902 -0.302 -2.743) 12.217 3.376 ( -6.686 -1.761 0.479) 6.930 3.410 ( -1.367 -1.511 2.776) 3.443 3.502 ( -4.322 1.067 0.870) 4.536 3.746 ( 0.469 -1.164 -4.095) 4.283 3.830 ( 4.723 2.105 -5.988) 7.911 3.961 ( -8.146 -8.257 -1.317) 11.673 4.145 ( -1.477 -1.538 -1.295) 2.495 4.206 ( -3.621 -4.578 0.094) 5.838 4.260 ( 1.547 -0.863 11.553) 11.688 4.381 ( 2.919 1.528 6.764) 7.523 4.467 ( -1.386 1.124 2.984) 3.477 4.632 ( -1.604 -0.974 0.748) 2.021 4.754 ( -6.455 0.535 5.443) 8.460 4.802 ( -4.156 1.579 -1.454) 4.677 5.085 ( -4.514 1.363 11.398) 12.335 5.204 ( 0.934 0.025 -11.949) 11.986 5.325 ( -1.256 0.684 -16.396) 16.458 5.659 ( -2.744 2.484 -9.550) 10.242 5.981 ( 3.361 -0.228 7.695) 8.400 6.025 ( 4.221 0.722 7.331) 8.490 6.306 ( 5.849 0.480 2.858) 6.528 6.468 ( 4.316 2.706 -11.034) 12.153 6.535 ( -2.394 0.740 -1.506) 2.924 6.610 ( -2.546 2.197 -2.347) 4.101 6.870 ( -1.696 1.402 0.804) 2.343 6.933 ( -3.836 -0.403 -0.715) 3.923 7.198 ( -1.181 0.396 5.163) 5.311 7.366 ( 0.578 0.208 -2.694) 2.764 7.459 ( 0.708 -2.006 4.530) 5.004 7.533 ( -2.303 -0.504 11.042) 11.291 7.559 ( -3.086 -0.780 1.464) 3.503 7.644 ( -2.336 0.215 0.477) 2.393 7.807 ( 4.354 -4.162 0.759) 6.071 7.861 ( -2.327 0.007 2.826) 3.661 8.120 ( -5.900 1.653 -4.263) 7.464 8.331 ( 0.902 -1.866 -9.934) 10.148 8.374 ( -2.630 -4.234 -0.753) 5.041 8.515 ( -0.223 -4.838 -2.940) 5.665 8.670 ( -5.410 -4.903 6.904) 10.048 8.911 ( 0.959 -1.697 -4.522) 4.924 9.076 ( -0.219 -0.371 -0.982) 1.072 9.113 ( -0.701 0.589 -0.336) 0.975 9.158 ( -1.412 0.496 -0.322) 1.531 9.374 ( 0.850 0.570 -7.592) 7.660 9.558 ( -0.959 3.628 3.548) 5.165 9.698 ( 2.894 1.371 2.131) 3.847 9.934 ( -0.606 -3.918 8.824) 9.674 10.074 ( 8.120 0.610 6.486) 10.410 10.870 ( 1.282 -2.014 2.195) 3.243 11.007 ( -2.361 -3.751 -10.049) 10.983 11.141 ( -4.104 -0.397 -7.016) 8.138 11.173 ( 2.522 -0.658 -3.065) 4.023 11.645 ( 2.491 1.330 9.417) 9.832 11.809 ( 3.897 2.822 1.285) 4.980 12.443 ( 0.347 1.223 1.813) 2.214 12.531 ( 0.642 0.170 -0.124) 0.676 12.568 ( -0.192 -0.081 1.789) 1.801 12.731 ( 3.216 -7.971 -5.647) 10.284 12.864 ( -7.850 -0.710 5.309) 9.503 13.162 ( -10.327 -3.061 -8.538) 13.744 13.527 ( -8.896 -2.144 4.195) 10.066 13.623 ( -6.686 -4.836 -1.245) 8.345 13.696 ( -2.325 0.442 3.165) 3.952 13.747 ( -0.224 0.317 0.376) 0.540 14.146 ( -2.721 2.551 1.546) 4.037 14.384 ( 2.583 4.705 -8.745) 10.260 14.781 ( 12.140 8.218 9.844) 17.658 15.153 ( 15.112 4.379 -6.812) 17.145 15.856 ( 2.722 2.351 2.085) 4.157 15.943 ( 4.357 1.465 -1.108) 4.728 ======================= Grid point 101 (37/75) ======================= q-point: (-0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( -9.842 10.225 9.212) 16.919 0.676 ( -10.026 12.264 8.997) 18.217 1.024 ( -5.795 4.203 -6.844) 9.905 1.091 ( -5.060 0.929 5.037) 7.200 1.141 ( -1.793 2.818 -7.390) 8.109 1.227 ( -2.194 2.983 2.365) 4.394 1.276 ( -6.805 10.728 4.205) 13.382 1.319 ( -4.145 -1.640 5.155) 6.815 1.502 ( -1.505 4.971 -0.712) 5.242 1.613 ( -1.840 3.299 7.360) 8.273 1.693 ( -5.996 2.714 7.182) 9.742 1.762 ( -0.335 1.443 -2.593) 2.987 1.820 ( -0.911 -4.105 1.150) 4.359 1.879 ( -1.033 -0.589 -1.876) 2.221 1.903 ( -0.938 2.389 -7.033) 7.487 1.959 ( -3.434 -1.498 -5.665) 6.792 2.067 ( 1.417 -1.842 1.774) 2.924 2.075 ( 0.752 -0.108 -1.406) 1.598 2.102 ( 0.773 -0.916 0.870) 1.481 2.168 ( -0.428 -0.449 3.340) 3.397 2.228 ( 2.651 -0.806 -1.948) 3.387 2.263 ( -0.040 3.932 2.385) 4.599 2.284 ( 1.380 -0.785 -1.603) 2.256 2.359 ( 1.793 -2.574 0.988) 3.289 2.437 ( 2.466 -0.024 1.748) 3.023 2.625 ( 3.765 -0.394 -0.456) 3.813 2.770 ( 0.549 -2.053 0.192) 2.134 2.877 ( 1.021 -3.676 -7.373) 8.301 2.976 ( -12.489 -2.567 -0.519) 12.761 3.036 ( -2.858 -0.076 1.081) 3.056 3.059 ( -9.058 -3.906 -5.700) 11.393 3.157 ( -4.531 -0.257 -6.461) 7.896 3.331 ( 2.354 -1.449 4.513) 5.292 3.405 ( -1.982 -1.604 3.737) 4.524 3.525 ( 3.320 -1.355 7.177) 8.023 3.740 ( -1.104 -1.555 -4.337) 4.738 3.857 ( -2.578 -0.789 -3.802) 4.661 3.966 ( 4.937 -0.955 -8.260) 9.670 4.126 ( 0.182 0.394 -0.347) 0.556 4.173 ( -3.297 -3.252 0.976) 4.733 4.326 ( 2.257 0.597 7.841) 8.181 4.341 ( -4.010 1.467 2.138) 4.775 4.442 ( -2.604 -1.589 4.351) 5.314 4.610 ( 0.680 4.416 11.092) 11.958 4.640 ( -4.443 1.783 3.511) 5.937 4.718 ( -3.544 1.722 -1.540) 4.230 4.978 ( -5.885 0.107 10.927) 12.412 5.225 ( 1.180 -0.401 -12.891) 12.951 5.293 ( -1.576 0.941 -18.413) 18.505 5.581 ( -2.592 2.920 -20.554) 20.921 6.054 ( 4.022 -0.545 12.199) 12.856 6.087 ( 2.856 0.736 7.768) 8.309 6.371 ( 1.330 2.831 6.248) 6.987 6.412 ( -6.050 0.958 -4.063) 7.350 6.517 ( 2.053 -0.796 0.789) 2.339 6.627 ( 5.210 4.430 -5.126) 8.547 6.820 ( -3.594 -0.373 -1.030) 3.757 6.833 ( -6.632 -0.207 0.789) 6.682 7.185 ( 0.163 1.179 5.670) 5.793 7.380 ( 1.009 0.149 -3.765) 3.901 7.469 ( -1.509 -0.144 1.199) 1.933 7.505 ( -0.594 -1.812 5.412) 5.738 7.527 ( -1.691 -1.287 0.169) 2.131 7.628 ( 1.075 -0.296 3.002) 3.202 7.801 ( -3.891 -0.041 2.904) 4.856 7.921 ( 3.701 -3.609 1.749) 5.457 8.014 ( -4.225 -0.454 -2.516) 4.939 8.319 ( -4.938 -0.828 4.746) 6.898 8.355 ( 0.909 -0.583 -11.319) 11.370 8.536 ( -3.898 -5.505 -4.507) 8.113 8.664 ( -1.545 -9.436 4.668) 10.640 8.917 ( -1.319 -1.511 -9.409) 9.621 9.053 ( -0.928 -0.749 -0.558) 1.317 9.091 ( -1.299 0.805 2.844) 3.229 9.152 ( 0.873 1.944 -2.952) 3.641 9.327 ( -3.820 0.511 -6.683) 7.715 9.557 ( 2.526 3.030 6.993) 8.029 9.788 ( 5.995 0.493 -0.917) 6.085 10.005 ( 5.388 -8.756 21.351) 23.697 10.293 ( 14.504 -0.493 5.934) 15.679 10.898 ( -1.052 -2.317 -1.592) 3.001 10.965 ( -5.050 -6.148 -7.542) 10.963 11.071 ( -3.157 -1.628 -2.119) 4.136 11.237 ( 2.905 -1.445 -3.292) 4.622 11.703 ( 5.164 2.620 5.128) 7.734 11.847 ( 3.109 4.378 -1.666) 5.622 12.457 ( 1.761 -0.288 4.903) 5.218 12.537 ( 0.382 0.457 -0.071) 0.600 12.569 ( -0.289 -0.517 1.795) 1.890 12.730 ( -6.884 -3.072 7.038) 10.313 12.860 ( -0.632 -7.659 -9.527) 12.241 12.985 ( -8.282 -6.218 -3.852) 11.050 13.363 ( -9.435 -1.813 3.347) 10.174 13.477 ( -13.219 -5.796 -2.347) 14.623 13.679 ( -0.402 -1.272 3.977) 4.195 13.765 ( 0.554 -2.514 -0.226) 2.584 14.077 ( -1.404 5.288 1.773) 5.752 14.376 ( 1.913 8.951 -10.376) 13.836 14.899 ( 7.676 9.341 10.326) 15.899 15.379 ( 15.211 12.222 -12.023) 22.920 15.882 ( 1.946 2.398 2.239) 3.815 15.998 ( 2.971 2.253 -1.664) 4.082 ======================= Grid point 102 (38/75) ======================= q-point: (-0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.457 ( -0.000 12.195 13.634) 18.293 0.458 ( -0.000 9.680 16.359) 19.008 0.814 ( -0.000 17.103 14.635) 22.510 1.001 ( -0.000 5.209 0.110) 5.211 1.091 ( -0.000 3.248 -16.249) 16.571 1.145 ( -0.000 1.133 3.710) 3.879 1.255 ( 0.000 -1.559 -2.501) 2.947 1.352 ( 0.000 -4.631 3.207) 5.633 1.467 ( -0.000 2.428 1.405) 2.805 1.588 ( -0.000 2.049 7.527) 7.801 1.600 ( -0.000 1.465 10.862) 10.960 1.745 ( -0.000 1.707 -3.039) 3.485 1.837 ( 0.000 -2.855 0.903) 2.995 1.866 ( -0.000 0.068 -2.532) 2.533 1.869 ( -0.000 3.054 -13.323) 13.668 1.945 ( 0.000 -2.341 -3.539) 4.243 2.083 ( 0.000 -1.538 -0.297) 1.567 2.092 ( 0.000 -1.463 -1.019) 1.783 2.149 ( 0.000 -1.775 3.543) 3.963 2.153 ( 0.000 -1.924 4.750) 5.125 2.243 ( -0.000 2.093 4.918) 5.345 2.267 ( 0.000 -1.050 -2.055) 2.307 2.310 ( 0.000 -1.355 -2.862) 3.167 2.391 ( -0.000 0.382 -1.764) 1.805 2.517 ( 0.000 -11.712 9.138) 14.855 2.744 ( 0.000 -4.820 -0.231) 4.826 2.746 ( 0.000 -0.059 1.986) 1.987 2.843 ( -0.000 0.284 0.003) 0.284 2.850 ( -0.000 0.508 -2.535) 2.585 3.011 ( 0.000 -0.171 0.464) 0.494 3.044 ( 0.000 -3.889 -14.659) 15.167 3.110 ( -0.000 0.192 -5.300) 5.304 3.386 ( 0.000 -1.275 6.353) 6.480 3.433 ( 0.000 -0.831 2.251) 2.400 3.545 ( 0.000 -6.947 3.811) 7.923 3.726 ( 0.000 -1.415 -4.452) 4.672 3.863 ( -0.000 0.162 0.393) 0.425 4.030 ( 0.000 -0.565 -6.670) 6.693 4.076 ( -0.000 9.961 -2.676) 10.314 4.174 ( -0.000 10.719 -9.117) 14.072 4.234 ( 0.000 -1.069 2.319) 2.553 4.360 ( 0.000 -0.756 -3.519) 3.599 4.392 ( 0.000 -3.780 16.946) 17.362 4.580 ( -0.000 2.046 2.740) 3.419 4.597 ( -0.000 5.085 18.234) 18.930 4.660 ( -0.000 2.187 -1.174) 2.482 4.907 ( 0.000 -0.012 8.573) 8.573 5.242 ( -0.000 0.276 -6.416) 6.422 5.269 ( 0.000 -0.341 -23.689) 23.691 5.534 ( -0.000 2.864 -25.707) 25.866 6.099 ( -0.000 0.061 3.913) 3.914 6.119 ( 0.000 -0.183 20.093) 20.093 6.326 ( -0.000 0.276 -6.323) 6.329 6.353 ( -0.000 3.154 5.878) 6.671 6.573 ( 0.000 -0.863 4.672) 4.751 6.676 ( -0.000 1.948 -6.087) 6.391 6.749 ( 0.000 -0.212 1.347) 1.363 6.756 ( -0.000 0.242 1.383) 1.404 7.178 ( -0.000 0.992 6.282) 6.360 7.390 ( -0.000 0.173 -3.845) 3.849 7.448 ( 0.000 -0.003 1.019) 1.019 7.503 ( 0.000 -0.094 -1.346) 1.350 7.531 ( 0.000 -2.783 3.667) 4.603 7.661 ( 0.000 -1.187 2.426) 2.701 7.753 ( 0.000 -0.214 3.677) 3.683 7.951 ( 0.000 -0.074 -5.480) 5.480 8.013 ( 0.000 -3.377 5.108) 6.123 8.267 ( 0.000 -0.133 5.435) 5.436 8.370 ( 0.000 -0.391 -11.534) 11.541 8.466 ( -0.000 0.127 -3.931) 3.933 8.730 ( 0.000 -8.126 3.693) 8.926 8.927 ( 0.000 -4.164 -6.756) 7.936 9.052 ( -0.000 0.352 -0.699) 0.783 9.071 ( 0.000 -0.009 4.320) 4.320 9.139 ( -0.000 3.857 -3.739) 5.372 9.285 ( 0.000 -0.152 -5.307) 5.310 9.564 ( -0.000 2.161 7.597) 7.899 9.836 ( -0.000 0.640 -4.621) 4.665 10.260 ( 0.000 -25.030 30.819) 39.703 10.471 ( -0.000 0.050 8.911) 8.911 10.866 ( 0.000 -0.089 -8.503) 8.503 10.968 ( 0.000 -8.908 -10.079) 13.451 11.083 ( 0.000 -5.425 5.486) 7.716 11.285 ( 0.000 -2.088 -2.297) 3.104 11.750 ( -0.000 3.895 -0.060) 3.896 11.844 ( -0.000 5.202 -2.881) 5.946 12.526 ( 0.000 -2.982 2.010) 3.596 12.544 ( 0.000 -0.635 0.205) 0.667 12.545 ( -0.000 0.065 5.855) 5.855 12.670 ( 0.000 -7.043 11.356) 13.363 12.798 ( -0.000 0.081 -5.308) 5.309 13.070 ( 0.000 -15.014 -7.472) 16.770 13.263 ( 0.000 -0.005 1.622) 1.622 13.317 ( -0.000 0.045 -0.857) 0.858 13.694 ( 0.000 -3.618 5.171) 6.311 13.794 ( 0.000 -3.577 -0.357) 3.594 14.023 ( -0.000 4.617 2.685) 5.341 14.313 ( -0.000 11.239 -8.264) 13.951 14.903 ( -0.000 8.012 7.370) 10.886 15.408 ( -0.000 25.985 -22.128) 34.130 15.884 ( -0.000 1.927 2.444) 3.113 16.010 ( -0.000 2.165 -2.317) 3.171 ======================= Grid point 105 (39/75) ======================= q-point: ( 0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 2.348 -0.000 3.733) 4.410 1.116 ( -0.682 0.000 1.995) 2.108 1.171 ( 1.555 -0.000 -1.777) 2.361 1.191 ( -0.656 0.000 -1.569) 1.700 1.373 ( 14.324 -0.000 4.320) 14.962 1.607 ( 10.077 -0.000 -5.002) 11.250 1.618 ( 10.419 -0.000 -0.642) 10.439 1.736 ( 2.307 -0.000 -2.411) 3.337 1.745 ( -3.691 0.000 -0.517) 3.727 1.757 ( -3.378 0.000 0.533) 3.420 1.782 ( -1.472 0.000 0.949) 1.751 1.812 ( -1.448 0.000 -0.518) 1.538 1.833 ( -0.560 0.000 0.186) 0.590 1.857 ( -5.096 0.000 0.641) 5.137 1.874 ( 0.763 -0.000 -1.525) 1.705 1.952 ( -3.775 0.000 -0.961) 3.895 1.990 ( -3.015 0.000 -0.249) 3.025 2.044 ( -0.090 0.000 1.729) 1.732 2.098 ( -4.986 0.000 -2.327) 5.502 2.161 ( 2.533 -0.000 -2.496) 3.556 2.174 ( 1.783 -0.000 1.250) 2.178 2.206 ( 1.577 -0.000 -0.886) 1.809 2.413 ( 13.053 -0.000 4.278) 13.736 2.463 ( 3.373 -0.000 1.204) 3.581 2.485 ( -0.386 0.000 -0.774) 0.865 2.550 ( 5.568 -0.000 -1.624) 5.800 2.768 ( 0.418 -0.000 4.309) 4.329 2.917 ( -2.863 0.000 -1.738) 3.350 3.012 ( -3.735 0.000 2.912) 4.736 3.069 ( -0.585 0.000 4.262) 4.302 3.346 ( 1.830 -0.000 -4.115) 4.503 3.363 ( 1.766 -0.000 -0.013) 1.767 3.479 ( 0.539 -0.000 -8.427) 8.445 3.559 ( -3.853 0.000 -13.087) 13.642 3.766 ( 1.524 -0.000 0.477) 1.597 3.805 ( 2.131 -0.000 2.169) 3.040 3.965 ( 6.547 -0.000 3.159) 7.270 4.155 ( -3.625 0.000 6.844) 7.744 4.247 ( 1.433 -0.000 13.311) 13.388 4.302 ( -2.252 0.000 11.157) 11.382 4.330 ( -3.545 0.000 -7.755) 8.527 4.381 ( 3.507 -0.000 -1.293) 3.738 4.639 ( 7.029 -0.000 -1.718) 7.236 4.648 ( -1.838 0.000 -3.966) 4.371 4.896 ( 4.347 -0.000 -8.750) 9.771 4.999 ( -7.319 0.000 -11.164) 13.350 5.062 ( 5.543 -0.000 5.269) 7.648 5.160 ( -2.929 0.000 7.079) 7.661 5.371 ( 6.765 -0.000 6.316) 9.256 5.469 ( -6.658 0.000 13.823) 15.342 5.902 ( -1.154 0.000 5.854) 5.966 5.970 ( 0.509 -0.000 -10.843) 10.855 6.205 ( -2.917 0.000 -13.246) 13.564 6.215 ( 0.720 -0.000 -6.749) 6.787 6.625 ( -1.720 0.000 -4.059) 4.409 6.668 ( 3.316 -0.000 -5.068) 6.057 6.886 ( 2.036 -0.000 1.067) 2.299 6.966 ( -1.113 0.000 -1.012) 1.505 7.313 ( 3.526 -0.000 6.634) 7.513 7.323 ( -2.285 0.000 7.764) 8.093 7.466 ( -1.179 0.000 5.339) 5.468 7.545 ( -2.141 0.000 1.645) 2.700 7.689 ( 1.910 -0.000 1.353) 2.341 7.699 ( 1.057 -0.000 0.550) 1.192 7.816 ( 3.100 -0.000 4.538) 5.496 7.857 ( -3.576 0.000 5.126) 6.251 8.177 ( 0.886 -0.000 0.233) 0.916 8.427 ( 0.472 -0.000 -13.192) 13.200 8.513 ( 1.337 -0.000 -7.818) 7.932 8.520 ( -6.553 0.000 -5.838) 8.776 8.756 ( -0.304 0.000 2.689) 2.707 8.872 ( -0.841 0.000 -2.230) 2.383 9.029 ( -2.186 0.000 6.899) 7.237 9.113 ( 0.996 -0.000 5.759) 5.844 9.221 ( 1.853 -0.000 0.141) 1.859 9.288 ( -1.285 0.000 -2.260) 2.600 9.601 ( 3.524 -0.000 -5.133) 6.226 9.718 ( 1.609 -0.000 -4.648) 4.919 9.943 ( -0.053 0.000 11.029) 11.029 10.010 ( 0.514 -0.000 6.448) 6.468 10.877 ( 0.577 -0.000 -3.546) 3.592 10.889 ( -5.489 0.000 -3.742) 6.643 11.180 ( -0.830 0.000 -7.867) 7.910 11.230 ( 1.446 -0.000 -8.655) 8.775 11.643 ( 2.220 -0.000 9.547) 9.802 11.667 ( -1.460 0.000 10.741) 10.839 12.417 ( 1.050 -0.000 0.093) 1.055 12.494 ( -0.646 0.000 -0.502) 0.818 12.557 ( -0.376 0.000 2.932) 2.956 12.734 ( -4.183 0.000 -6.238) 7.511 13.101 ( 5.606 -0.000 2.796) 6.265 13.393 ( -2.993 0.000 -13.178) 13.513 13.674 ( -2.122 0.000 0.405) 2.160 13.708 ( -0.496 0.000 -1.130) 1.234 13.813 ( 3.803 -0.000 3.244) 4.998 13.945 ( 6.299 -0.000 -3.089) 7.016 14.047 ( -6.267 0.000 17.359) 18.456 14.298 ( 4.287 -0.000 7.554) 8.685 14.610 ( -11.288 0.000 -10.283) 15.270 14.629 ( 7.952 -0.000 -7.176) 10.711 15.767 ( 0.707 -0.000 2.625) 2.719 15.825 ( -1.053 0.000 0.147) 1.063 ======================= Grid point 106 (40/75) ======================= q-point: ( 0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 0.366 -0.229 3.395) 3.422 1.097 ( -1.031 0.756 2.074) 2.437 1.181 ( -0.509 -0.187 -1.533) 1.626 1.184 ( -0.008 -0.187 -1.903) 1.912 1.590 ( -3.611 0.237 1.726) 4.009 1.611 ( -5.947 2.216 1.449) 6.510 1.623 ( 4.062 0.007 2.802) 4.935 1.724 ( -0.104 0.114 -0.703) 0.720 1.735 ( -2.690 -2.152 0.021) 3.445 1.749 ( -2.653 0.404 -0.354) 2.707 1.783 ( 3.483 -0.427 -1.250) 3.725 1.794 ( -1.161 -1.114 -1.115) 1.957 1.814 ( -0.146 -0.369 0.648) 0.760 1.863 ( -0.645 0.822 -0.845) 1.344 1.890 ( -0.780 0.374 -3.319) 3.429 1.912 ( 6.421 0.111 -2.805) 7.008 1.951 ( 0.606 3.178 -0.529) 3.279 2.008 ( -1.577 1.541 -2.186) 3.105 2.096 ( 2.435 -2.416 2.830) 4.447 2.193 ( 1.890 1.414 -1.268) 2.679 2.211 ( 1.095 0.710 0.257) 1.330 2.246 ( 2.159 -2.641 -1.406) 3.690 2.460 ( -2.325 0.336 0.887) 2.511 2.506 ( 1.175 1.062 -0.530) 1.671 2.573 ( 3.237 -0.111 0.616) 3.297 2.603 ( 0.319 -0.103 0.212) 0.397 2.775 ( -0.521 -0.132 1.983) 2.054 2.827 ( -4.657 1.064 -0.829) 4.849 2.973 ( -0.043 -1.119 6.209) 6.309 3.104 ( 2.510 0.154 2.633) 3.640 3.380 ( 2.371 0.744 -3.578) 4.356 3.401 ( 2.102 0.808 -1.525) 2.720 3.478 ( -2.370 -0.343 -11.306) 11.557 3.489 ( -2.062 -1.612 -10.468) 10.790 3.757 ( -2.783 -0.205 0.870) 2.923 3.794 ( -2.866 0.311 3.404) 4.461 4.029 ( -3.320 0.411 1.206) 3.556 4.047 ( -5.831 -1.093 5.643) 8.188 4.160 ( -8.296 -0.450 10.437) 13.340 4.267 ( 0.790 -0.079 11.541) 11.569 4.305 ( -1.333 -0.502 -0.705) 1.590 4.443 ( 2.740 0.555 2.091) 3.491 4.500 ( -14.374 -0.652 -3.703) 14.858 4.681 ( -0.955 0.198 -5.447) 5.534 4.875 ( -2.748 -0.153 -8.629) 9.057 5.018 ( 6.693 0.025 -14.961) 16.390 5.064 ( -6.260 0.108 9.461) 11.345 5.186 ( 5.084 0.331 6.390) 8.173 5.383 ( -2.945 -0.235 7.132) 7.720 5.545 ( 11.042 0.421 11.964) 16.286 5.910 ( 1.381 -0.283 -2.963) 3.281 5.964 ( -0.142 0.845 -1.887) 2.072 6.170 ( -0.870 -0.583 -10.640) 10.691 6.268 ( 5.212 0.422 -12.321) 13.385 6.597 ( -1.512 -0.566 -0.897) 1.847 6.705 ( 0.808 0.499 -6.334) 6.405 6.922 ( 1.702 -0.200 -0.515) 1.790 6.952 ( -0.045 0.636 0.727) 0.967 7.280 ( -2.511 -0.385 10.289) 10.598 7.355 ( 0.832 0.129 10.054) 10.089 7.474 ( 2.188 -0.297 0.708) 2.319 7.486 ( -3.383 0.536 0.439) 3.453 7.699 ( -1.084 -0.292 0.674) 1.310 7.715 ( 0.661 -0.204 0.045) 0.693 7.762 ( -6.609 -0.315 7.220) 9.793 7.878 ( 2.926 0.246 5.587) 6.312 8.203 ( 1.591 -0.904 -2.239) 2.891 8.352 ( -6.396 0.154 -1.230) 6.515 8.436 ( -2.307 3.186 -13.529) 14.089 8.522 ( -1.839 -1.219 -11.274) 11.488 8.762 ( 0.608 -1.509 2.480) 2.966 8.860 ( -1.275 0.186 -1.003) 1.633 8.998 ( -1.287 -1.679 8.344) 8.608 9.117 ( 0.104 0.526 3.130) 3.175 9.261 ( 2.664 0.004 -2.004) 3.334 9.267 ( -1.196 0.441 -0.531) 1.381 9.658 ( 2.162 -0.538 -4.370) 4.905 9.716 ( -1.008 1.262 -5.110) 5.360 9.931 ( -2.169 -1.468 10.416) 10.740 10.018 ( 0.024 -0.040 7.856) 7.856 10.819 ( -2.138 -0.409 -1.036) 2.411 10.906 ( 2.704 0.189 -7.858) 8.312 11.157 ( -1.668 -0.369 -5.527) 5.785 11.242 ( -0.012 0.676 -10.170) 10.192 11.644 ( -1.352 -0.577 12.083) 12.172 11.692 ( 2.969 -0.531 8.616) 9.129 12.451 ( 2.212 -0.773 -1.518) 2.792 12.485 ( -0.412 -0.075 -1.145) 1.219 12.553 ( -0.089 -0.378 2.543) 2.572 12.661 ( -3.072 1.596 -3.286) 4.773 13.191 ( 3.656 -0.615 -1.117) 3.872 13.262 ( -9.305 2.010 -5.523) 11.006 13.655 ( -0.502 -0.367 -0.793) 1.008 13.683 ( -2.432 -0.157 -1.733) 2.990 13.872 ( 2.062 4.483 6.908) 8.489 13.925 ( 0.607 6.784 5.843) 8.974 14.116 ( 4.650 -6.939 -1.850) 8.556 14.327 ( -5.817 -3.182 2.825) 7.207 14.489 ( 3.086 -0.752 -1.037) 3.342 14.770 ( 7.727 0.236 -7.010) 10.436 15.803 ( 3.065 -0.167 1.628) 3.475 15.824 ( 0.984 0.409 0.717) 1.284 ======================= Grid point 107 (41/75) ======================= q-point: (-0.56 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( -0.519 -0.461 3.072) 3.150 1.066 ( -1.520 1.646 2.807) 3.592 1.160 ( -2.270 -0.193 -1.424) 2.686 1.181 ( -0.187 0.469 -1.945) 2.009 1.420 ( -8.180 5.911 2.418) 10.378 1.449 ( -7.781 2.624 3.306) 8.852 1.610 ( -6.317 3.606 -3.444) 8.048 1.671 ( -4.859 -4.990 1.515) 7.127 1.714 ( -3.696 0.891 -3.531) 5.188 1.743 ( -1.748 -1.013 -2.584) 3.280 1.786 ( 2.821 -1.745 0.008) 3.317 1.807 ( -0.527 -0.706 0.628) 1.082 1.843 ( -0.296 0.498 1.404) 1.519 1.849 ( 2.487 -2.089 1.362) 3.522 1.906 ( 1.625 0.607 3.092) 3.545 1.946 ( 2.468 2.047 -0.252) 3.216 2.030 ( 4.955 0.888 -3.194) 5.962 2.048 ( 4.648 -0.655 -3.396) 5.794 2.144 ( 1.555 1.040 1.577) 2.446 2.200 ( 0.023 3.014 -1.398) 3.323 2.222 ( 0.659 -1.747 1.856) 2.633 2.306 ( 1.972 -0.428 -1.919) 2.785 2.388 ( -4.983 0.172 0.954) 5.076 2.424 ( -6.349 7.623 0.901) 9.961 2.546 ( -4.045 1.623 -1.164) 4.511 2.615 ( 0.443 -0.530 -2.894) 2.975 2.734 ( -2.223 0.696 -0.300) 2.349 2.764 ( -2.587 -1.600 -2.172) 3.737 3.032 ( 4.267 -1.219 10.148) 11.076 3.125 ( -0.279 -0.421 2.990) 3.032 3.362 ( -4.969 1.922 -6.029) 8.046 3.405 ( -0.243 0.542 -1.928) 2.017 3.426 ( -1.243 0.831 -7.532) 7.679 3.525 ( -4.105 -2.744 -5.615) 7.477 3.635 ( -7.309 -3.169 -3.781) 8.818 3.682 ( -9.429 -0.131 1.498) 9.548 3.854 ( -6.867 -0.731 8.436) 10.902 3.996 ( -7.167 -2.596 -1.831) 7.840 4.083 ( -0.993 -1.505 5.655) 5.935 4.247 ( -6.344 -1.161 0.327) 6.458 4.272 ( -4.486 -0.712 4.006) 6.056 4.324 ( 3.181 -0.052 12.003) 12.418 4.479 ( 1.374 0.332 -1.147) 1.821 4.643 ( -3.121 -0.852 -4.791) 5.781 4.851 ( -1.296 0.509 -4.072) 4.304 4.920 ( -7.569 0.388 7.094) 10.381 5.129 ( 3.952 0.363 -10.624) 11.342 5.213 ( -1.127 0.528 9.502) 9.584 5.351 ( -1.474 -0.229 -9.339) 9.458 5.698 ( 4.767 1.415 5.396) 7.338 5.938 ( 1.829 0.018 -5.234) 5.545 5.974 ( 2.062 0.529 7.636) 7.928 6.203 ( 4.355 -0.300 -4.658) 6.384 6.391 ( 8.595 1.496 -14.121) 16.598 6.577 ( -1.202 -0.213 0.474) 1.309 6.688 ( -2.078 0.534 -4.667) 5.136 6.936 ( -0.228 1.514 1.239) 1.970 6.953 ( 0.185 -0.155 -0.258) 0.353 7.236 ( -2.288 -0.050 8.461) 8.765 7.364 ( 0.659 0.139 5.125) 5.169 7.428 ( -1.816 0.017 2.754) 3.298 7.534 ( 2.425 -0.817 3.254) 4.140 7.631 ( -6.464 -0.184 6.810) 9.391 7.671 ( -3.129 -1.686 1.342) 3.800 7.719 ( -0.248 -0.324 0.086) 0.416 7.899 ( -0.254 0.878 3.503) 3.620 8.242 ( 1.163 -0.980 -6.084) 6.271 8.260 ( -3.626 -0.589 1.081) 3.829 8.346 ( -5.671 -0.775 -10.645) 12.086 8.485 ( -2.050 -0.611 -9.738) 9.970 8.756 ( -4.709 0.910 6.048) 7.719 8.833 ( -0.166 -3.115 1.421) 3.428 9.019 ( 1.602 -2.212 2.356) 3.607 9.121 ( 0.856 0.697 1.625) 1.965 9.222 ( -3.311 0.486 -1.820) 3.810 9.327 ( 4.283 0.285 -5.580) 7.040 9.666 ( -1.765 2.140 -0.848) 2.900 9.692 ( 0.304 -0.024 -1.659) 1.686 9.894 ( -2.940 -2.484 8.624) 9.444 10.018 ( 0.871 0.355 7.185) 7.246 10.813 ( 0.476 -1.095 1.250) 1.729 10.959 ( 2.176 -0.522 -11.288) 11.508 11.134 ( -0.837 -0.693 -2.779) 2.984 11.213 ( -2.693 0.530 -9.474) 9.864 11.633 ( 0.031 -0.333 11.833) 11.838 11.760 ( 4.087 -0.257 5.158) 6.586 12.477 ( -0.294 0.580 -1.350) 1.499 12.500 ( 1.895 -0.979 -1.585) 2.657 12.568 ( 1.132 -1.822 0.526) 2.209 12.602 ( -1.983 1.298 -0.346) 2.395 13.062 ( -10.256 2.189 1.438) 10.585 13.223 ( -1.769 -1.232 -5.231) 5.658 13.619 ( -4.644 -0.295 -0.155) 4.656 13.643 ( -1.669 -0.563 -1.695) 2.445 13.794 ( -4.600 2.789 6.335) 8.311 13.889 ( -2.509 8.078 1.581) 8.605 14.152 ( -2.887 -6.251 1.017) 6.960 14.345 ( 5.472 -1.630 -7.872) 9.725 14.661 ( 13.811 2.237 7.642) 15.942 14.927 ( 9.961 -0.987 -4.803) 11.102 15.850 ( 2.514 1.175 1.204) 3.025 15.877 ( 4.836 0.285 0.150) 4.847 ======================= Grid point 108 (42/75) ======================= q-point: (-0.44 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( -5.342 5.352 4.221) 8.660 1.045 ( -1.813 1.478 3.022) 3.821 1.101 ( -3.573 1.269 -0.232) 3.799 1.166 ( -0.723 1.667 0.011) 1.817 1.221 ( -7.201 5.174 2.074) 9.107 1.308 ( -5.257 2.186 3.779) 6.833 1.461 ( -6.083 4.852 -5.606) 9.590 1.603 ( -4.193 0.805 -5.676) 7.103 1.667 ( -3.036 -3.419 1.754) 4.897 1.706 ( -1.937 -0.234 -0.548) 2.026 1.792 ( -1.350 -0.856 0.399) 1.648 1.819 ( 0.380 1.033 -0.696) 1.303 1.837 ( -1.361 -0.328 1.776) 2.261 1.889 ( -0.172 -0.891 0.823) 1.226 1.940 ( 0.912 -0.240 4.206) 4.310 1.991 ( 0.672 1.134 -0.250) 1.341 2.042 ( -3.172 7.002 -0.673) 7.716 2.089 ( -1.262 1.943 0.022) 2.317 2.125 ( 1.179 0.273 -1.480) 1.912 2.157 ( -0.414 2.385 -1.287) 2.741 2.250 ( 0.710 1.619 0.918) 1.992 2.259 ( 0.905 -1.111 1.703) 2.226 2.280 ( -4.661 2.655 0.680) 5.407 2.379 ( 1.161 0.719 -1.963) 2.391 2.444 ( -3.296 2.868 -0.028) 4.369 2.607 ( -1.209 -0.479 -5.671) 5.818 2.728 ( 1.130 -0.297 0.035) 1.168 2.753 ( -0.327 -3.465 -5.158) 6.223 3.076 ( -1.755 -0.242 4.881) 5.193 3.111 ( -3.744 -2.111 3.404) 5.483 3.225 ( -10.251 0.744 -3.088) 10.732 3.280 ( -10.477 0.400 -3.233) 10.972 3.344 ( -9.152 -2.026 0.413) 9.383 3.387 ( -1.793 -1.401 1.671) 2.823 3.513 ( -3.545 0.554 2.211) 4.215 3.713 ( 2.189 -3.921 -6.121) 7.592 3.791 ( -3.152 -6.259 3.674) 7.913 3.906 ( -1.253 1.267 -5.654) 5.928 4.100 ( -1.067 -4.134 -0.570) 4.308 4.157 ( -3.728 -1.409 -0.713) 4.049 4.250 ( 0.877 -0.375 12.894) 12.929 4.398 ( 3.189 0.626 5.849) 6.691 4.486 ( -0.778 1.309 1.436) 2.093 4.599 ( -1.725 -2.855 1.522) 3.667 4.770 ( -5.806 1.438 5.492) 8.120 4.823 ( -3.165 1.015 -2.278) 4.029 5.114 ( -4.290 2.084 9.343) 10.490 5.208 ( 1.153 0.281 -10.473) 10.540 5.323 ( -1.733 -0.801 -17.868) 17.970 5.691 ( -2.786 1.567 -10.569) 11.042 5.985 ( 3.567 0.772 6.433) 7.396 6.032 ( 4.041 0.037 8.617) 9.518 6.313 ( 6.945 0.421 2.562) 7.414 6.503 ( 2.058 1.755 -10.497) 10.840 6.548 ( -2.109 0.739 -0.828) 2.383 6.648 ( 1.392 2.590 -2.385) 3.786 6.894 ( -2.792 1.637 1.651) 3.633 6.928 ( -3.602 -0.203 -0.084) 3.609 7.212 ( 0.188 1.182 5.407) 5.538 7.372 ( 0.617 0.583 -1.468) 1.695 7.430 ( 0.872 -1.668 3.646) 4.103 7.524 ( -2.665 -0.612 11.210) 11.538 7.553 ( -3.240 0.037 0.646) 3.304 7.635 ( -2.514 -1.677 -2.502) 3.923 7.749 ( 3.167 -2.777 3.416) 5.423 7.865 ( -2.602 0.501 2.840) 3.885 8.148 ( -7.112 1.886 -5.270) 9.051 8.281 ( -0.070 -5.056 -0.536) 5.085 8.309 ( -0.174 -2.748 -8.233) 8.682 8.472 ( -0.519 -1.446 -6.203) 6.391 8.619 ( -8.604 -1.694 9.660) 13.047 8.876 ( 1.388 -2.635 -2.059) 3.621 9.065 ( 0.658 -0.714 -2.693) 2.863 9.117 ( -1.418 -0.109 -2.156) 2.583 9.159 ( -2.079 -0.276 0.574) 2.175 9.382 ( 0.817 0.485 -8.454) 8.507 9.612 ( -0.564 3.334 4.460) 5.596 9.709 ( 2.215 0.050 3.651) 4.271 9.880 ( -0.841 -2.953 7.848) 8.427 10.081 ( 7.263 0.370 4.871) 8.753 10.842 ( 1.253 -1.525 2.031) 2.832 10.959 ( -3.734 -2.354 -10.593) 11.476 11.134 ( -4.369 -0.389 -6.462) 7.810 11.159 ( 1.250 -1.054 -3.562) 3.919 11.659 ( 3.139 0.561 9.880) 10.382 11.839 ( 4.623 0.966 0.807) 4.791 12.465 ( -0.088 1.331 0.193) 1.348 12.528 ( 0.769 -0.457 0.034) 0.895 12.570 ( -0.829 0.209 1.364) 1.610 12.631 ( 2.538 -4.647 -2.802) 5.991 12.869 ( -9.440 0.961 4.190) 10.373 13.125 ( -9.867 -1.597 -7.164) 12.297 13.509 ( -8.275 -0.487 2.479) 8.652 13.579 ( -7.018 -1.295 -1.435) 7.280 13.702 ( -3.195 0.384 4.017) 5.146 13.769 ( -3.531 2.132 0.583) 4.166 14.169 ( 0.974 0.516 1.478) 1.844 14.446 ( 5.675 3.252 -12.570) 14.170 14.893 ( 13.803 6.308 10.848) 18.655 15.167 ( 14.942 -2.064 -2.687) 15.321 15.890 ( 2.967 1.923 1.506) 3.843 15.965 ( 5.171 1.236 -1.315) 5.477 ======================= Grid point 109 (43/75) ======================= q-point: (-0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( -6.877 9.955 7.300) 14.131 0.868 ( -9.365 12.288 6.779) 16.871 1.060 ( -1.000 -0.080 1.366) 1.695 1.100 ( -3.452 1.223 -0.704) 3.729 1.172 ( 0.252 0.196 -2.506) 2.526 1.231 ( -1.273 1.604 1.904) 2.796 1.315 ( -6.551 2.021 -5.020) 8.497 1.514 ( -3.769 9.838 -3.259) 11.028 1.591 ( -3.012 8.603 3.399) 9.728 1.658 ( -4.186 -0.084 7.290) 8.406 1.736 ( -1.576 3.669 4.541) 6.047 1.768 ( -1.842 1.730 1.682) 3.036 1.808 ( -0.120 2.313 -0.858) 2.470 1.845 ( -1.464 -3.220 -1.171) 3.726 1.919 ( -0.896 0.487 -3.474) 3.621 1.968 ( -2.374 1.552 -4.491) 5.312 2.036 ( 1.666 -1.447 1.451) 2.641 2.086 ( -0.396 -0.987 1.157) 1.572 2.100 ( 0.386 2.501 -2.159) 3.327 2.176 ( 0.254 1.621 0.975) 1.909 2.216 ( 0.304 -0.383 -1.172) 1.270 2.271 ( 0.674 -1.115 -0.829) 1.545 2.300 ( 0.557 -3.564 1.990) 4.120 2.328 ( -1.277 3.907 1.182) 4.277 2.443 ( 1.481 0.022 -0.548) 1.580 2.609 ( 0.992 -1.673 -4.873) 5.247 2.748 ( 0.457 -0.926 -0.305) 1.077 2.811 ( 2.583 -4.331 -8.317) 9.727 2.936 ( -10.883 -2.434 0.100) 11.153 3.017 ( -10.944 -1.341 -3.262) 11.499 3.037 ( -2.813 0.137 1.279) 3.093 3.158 ( -4.450 0.135 -5.769) 7.288 3.305 ( 2.425 -1.657 5.269) 6.033 3.375 ( -1.499 -2.118 3.392) 4.270 3.493 ( -1.650 -2.541 7.791) 8.359 3.711 ( -2.970 -2.482 -1.607) 4.191 3.818 ( 1.484 -4.157 0.086) 4.415 3.958 ( 5.004 -0.234 -6.750) 8.406 4.089 ( -3.360 -5.285 0.569) 6.288 4.138 ( 1.593 -0.255 0.034) 1.613 4.306 ( 3.411 -1.594 12.695) 13.242 4.377 ( -4.586 1.673 -1.975) 5.266 4.420 ( -5.070 -1.176 -0.019) 5.204 4.656 ( 5.247 1.742 11.618) 12.867 4.671 ( -3.017 2.117 3.042) 4.779 4.752 ( -2.882 2.339 -1.718) 4.090 4.994 ( -6.523 1.579 10.460) 12.428 5.224 ( 1.216 0.331 -13.432) 13.491 5.298 ( -1.952 -0.408 -18.121) 18.230 5.623 ( -2.185 2.347 -20.676) 20.923 6.055 ( 4.290 0.523 10.119) 11.003 6.097 ( 2.952 0.473 9.306) 9.774 6.408 ( -1.207 1.620 1.155) 2.327 6.434 ( -1.228 1.792 2.855) 3.587 6.511 ( 0.477 0.276 0.249) 0.605 6.703 ( 5.133 4.769 -5.352) 8.816 6.824 ( -4.163 0.808 0.124) 4.242 6.831 ( -5.792 0.226 1.335) 5.948 7.215 ( 1.370 2.500 4.428) 5.266 7.384 ( 1.064 0.441 -3.342) 3.535 7.459 ( 0.426 -1.063 2.873) 3.093 7.484 ( -2.298 -0.519 2.714) 3.594 7.513 ( -1.097 -0.808 1.300) 1.883 7.616 ( 0.135 -1.419 -0.708) 1.592 7.798 ( -3.857 -0.443 2.733) 4.748 7.855 ( 3.786 -4.277 5.592) 7.994 8.014 ( -5.790 0.343 -4.420) 7.292 8.295 ( -2.601 -2.651 3.667) 5.219 8.341 ( 1.186 -1.184 -9.820) 9.961 8.471 ( -0.802 -3.257 -1.128) 3.539 8.530 ( -4.264 -6.592 4.801) 9.202 8.895 ( -1.520 -1.399 -9.955) 10.167 9.034 ( -1.516 -1.515 -1.145) 2.430 9.101 ( -1.829 0.407 2.925) 3.473 9.162 ( 1.688 -0.407 -3.565) 3.965 9.335 ( -4.301 0.384 -7.056) 8.273 9.610 ( 2.341 3.706 6.993) 8.253 9.787 ( 5.213 -0.747 4.014) 6.621 9.908 ( 1.228 -4.073 13.849) 14.488 10.283 ( 13.903 -0.662 4.059) 14.498 10.867 ( -2.314 -2.938 -3.337) 5.012 10.879 ( -5.442 -3.535 -8.441) 10.647 11.045 ( -4.649 -1.662 -1.348) 5.118 11.208 ( 1.765 -2.029 -3.552) 4.455 11.731 ( 4.847 1.158 6.109) 7.884 11.903 ( 3.563 2.500 -2.115) 4.839 12.461 ( 0.729 0.798 2.831) 3.030 12.540 ( 0.364 -0.141 0.275) 0.477 12.560 ( -0.504 -0.378 2.535) 2.612 12.708 ( -5.288 -0.713 2.777) 6.016 12.729 ( 0.552 -6.956 -3.581) 7.843 12.930 ( -11.252 -1.815 -5.139) 12.502 13.348 ( -8.291 -0.381 2.424) 8.646 13.423 ( -9.874 -1.732 -1.155) 10.091 13.670 ( -0.800 -0.262 3.502) 3.602 13.741 ( -0.092 -0.796 0.104) 0.808 14.160 ( 0.454 5.152 0.800) 5.234 14.493 ( 3.378 6.287 -15.391) 16.965 15.040 ( 8.157 8.495 14.192) 18.442 15.459 ( 14.141 -0.517 -4.996) 15.006 15.921 ( 2.072 2.461 1.582) 3.585 16.033 ( 3.480 2.223 -1.968) 4.574 ======================= Grid point 110 (44/75) ======================= q-point: (-0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( -0.000 13.150 11.216) 17.284 0.653 ( -0.000 12.452 10.488) 16.281 1.013 ( -0.000 7.310 -6.481) 9.770 1.063 ( -0.000 0.672 5.461) 5.502 1.159 ( -0.000 5.252 -14.535) 15.454 1.206 ( 0.000 -0.524 0.323) 0.616 1.267 ( 0.000 -3.712 8.570) 9.340 1.326 ( -0.000 18.172 7.018) 19.480 1.531 ( -0.000 4.598 -0.954) 4.696 1.625 ( -0.000 1.088 10.298) 10.355 1.661 ( -0.000 6.654 5.115) 8.393 1.778 ( 0.000 -3.812 1.401) 4.061 1.783 ( -0.000 3.235 -2.465) 4.067 1.859 ( 0.000 -2.439 -1.927) 3.109 1.905 ( 0.000 -1.432 -5.046) 5.246 1.921 ( -0.000 3.269 -9.330) 9.886 2.062 ( 0.000 -1.703 -0.234) 1.719 2.087 ( -0.000 1.838 -1.887) 2.634 2.110 ( 0.000 -3.151 4.234) 5.278 2.149 ( -0.000 1.532 3.357) 3.690 2.245 ( 0.000 -1.719 -2.301) 2.872 2.275 ( -0.000 0.726 1.912) 2.046 2.301 ( -0.000 1.138 -0.395) 1.205 2.342 ( 0.000 -4.916 2.367) 5.456 2.459 ( 0.000 -0.032 -0.849) 0.850 2.663 ( 0.000 -5.071 -3.939) 6.421 2.745 ( -0.000 0.020 2.214) 2.215 2.837 ( 0.000 -1.141 -0.938) 1.477 2.859 ( -0.000 0.635 -2.733) 2.806 2.941 ( 0.000 -7.363 -13.620) 15.483 3.008 ( 0.000 -0.093 0.787) 0.792 3.113 ( -0.000 0.166 -5.273) 5.275 3.360 ( 0.000 -1.904 6.068) 6.360 3.415 ( 0.000 -1.474 1.757) 2.293 3.451 ( 0.000 -5.345 6.573) 8.472 3.699 ( 0.000 -2.273 -2.015) 3.038 3.867 ( -0.000 0.268 0.339) 0.432 4.019 ( 0.000 -0.787 -6.142) 6.193 4.099 ( 0.000 -7.721 9.482) 12.228 4.216 ( 0.000 -1.214 2.393) 2.683 4.264 ( -0.000 5.442 -7.537) 9.296 4.348 ( 0.000 -0.713 -3.565) 3.635 4.359 ( 0.000 -1.817 10.368) 10.526 4.619 ( -0.000 2.738 2.670) 3.824 4.696 ( -0.000 6.507 15.227) 16.559 4.701 ( -0.000 2.869 -1.230) 3.122 4.907 ( 0.000 -0.004 8.719) 8.719 5.248 ( -0.000 0.396 -6.472) 6.484 5.265 ( 0.000 -0.363 -24.308) 24.310 5.583 ( -0.000 3.117 -25.130) 25.323 6.100 ( -0.000 0.083 3.879) 3.880 6.125 ( -0.000 1.032 19.265) 19.292 6.332 ( -0.000 0.419 -6.547) 6.560 6.414 ( -0.000 4.399 7.045) 8.306 6.557 ( 0.000 -1.015 4.261) 4.380 6.736 ( -0.000 5.505 -5.613) 7.862 6.745 ( 0.000 -0.218 1.585) 1.600 6.760 ( -0.000 0.281 1.415) 1.443 7.209 ( -0.000 2.807 4.548) 5.344 7.394 ( -0.000 0.296 -3.739) 3.751 7.448 ( 0.000 -0.005 0.969) 0.969 7.490 ( 0.000 -2.175 3.706) 4.297 7.501 ( 0.000 -0.146 -1.313) 1.321 7.647 ( 0.000 -1.214 0.071) 1.216 7.749 ( 0.000 -0.329 3.696) 3.710 7.942 ( 0.000 -5.233 7.196) 8.898 7.949 ( 0.000 -0.118 -5.626) 5.627 8.265 ( 0.000 -0.201 5.609) 5.613 8.361 ( 0.000 -0.861 -10.657) 10.692 8.468 ( -0.000 0.195 -4.039) 4.044 8.568 ( 0.000 -11.446 5.722) 12.797 8.884 ( 0.000 -1.971 -11.824) 11.987 9.046 ( 0.000 -1.264 0.341) 1.309 9.071 ( 0.000 -0.015 4.299) 4.299 9.181 ( -0.000 1.643 -5.055) 5.315 9.282 ( 0.000 -0.235 -5.196) 5.201 9.607 ( -0.000 3.358 7.486) 8.205 9.843 ( 0.000 -0.002 -2.583) 2.583 9.993 ( 0.000 -10.481 27.051) 29.011 10.472 ( -0.000 0.077 8.817) 8.817 10.821 ( 0.000 -9.405 -14.068) 16.922 10.864 ( 0.000 -0.142 -8.459) 8.460 11.024 ( 0.000 -3.073 5.052) 5.913 11.245 ( 0.000 -2.783 -2.961) 4.063 11.780 ( -0.000 0.979 2.874) 3.036 11.916 ( -0.000 3.649 -3.230) 4.873 12.480 ( 0.000 -1.505 4.504) 4.749 12.545 ( -0.000 0.167 -0.272) 0.320 12.547 ( -0.000 0.101 5.856) 5.856 12.635 ( 0.000 -0.059 2.770) 2.771 12.800 ( -0.000 0.127 -5.324) 5.325 12.845 ( 0.000 -12.376 -4.646) 13.220 13.263 ( 0.000 -0.007 1.650) 1.650 13.318 ( -0.000 0.068 -0.875) 0.878 13.668 ( 0.000 -0.693 4.018) 4.077 13.753 ( 0.000 -1.846 -0.081) 1.848 14.115 ( -0.000 6.649 0.897) 6.709 14.467 ( -0.000 8.482 -15.008) 17.239 15.047 ( -0.000 9.483 14.577) 17.390 15.603 ( -0.000 2.907 -11.593) 11.952 15.921 ( -0.000 2.667 1.807) 3.222 16.048 ( -0.000 2.590 -1.947) 3.240 ======================= Grid point 115 (45/75) ======================= q-point: (-0.67 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -0.474 0.000 3.170) 3.205 1.080 ( -1.165 0.000 2.533) 2.788 1.158 ( -2.193 0.000 -1.157) 2.479 1.185 ( 0.190 -0.000 -2.243) 2.252 1.450 ( -7.645 0.000 4.317) 8.780 1.515 ( -5.325 0.000 1.691) 5.587 1.589 ( -7.633 0.000 2.169) 7.935 1.664 ( -4.940 0.000 -2.528) 5.549 1.717 ( -2.439 0.000 -2.942) 3.822 1.726 ( -4.499 0.000 -5.933) 7.446 1.767 ( 3.935 -0.000 1.472) 4.202 1.812 ( 0.725 -0.000 -0.310) 0.788 1.828 ( 2.164 -0.000 2.805) 3.543 1.849 ( -0.839 0.000 1.459) 1.683 1.909 ( 1.502 -0.000 2.827) 3.201 1.978 ( 0.524 -0.000 -0.756) 0.920 2.032 ( 3.704 -0.000 -2.251) 4.335 2.034 ( 6.272 -0.000 -2.427) 6.725 2.151 ( 2.592 -0.000 1.763) 3.135 2.209 ( 0.317 -0.000 1.348) 1.384 2.234 ( 0.133 -0.000 -1.978) 1.983 2.293 ( 3.544 -0.000 -1.690) 3.926 2.388 ( -5.549 0.000 0.276) 5.556 2.501 ( -2.590 0.000 -5.916) 6.459 2.556 ( -5.028 0.000 1.176) 5.164 2.600 ( -0.113 0.000 -0.664) 0.673 2.744 ( -2.134 0.000 -1.742) 2.755 2.749 ( -3.427 0.000 -0.429) 3.453 3.021 ( 4.450 -0.000 11.090) 11.949 3.122 ( -0.532 0.000 3.158) 3.202 3.380 ( -6.183 0.000 -8.216) 10.283 3.402 ( -1.728 0.000 -2.189) 2.789 3.461 ( 1.536 -0.000 -3.675) 3.984 3.479 ( 0.253 -0.000 -9.578) 9.581 3.607 ( -13.238 0.000 -0.893) 13.269 3.681 ( -9.845 0.000 1.805) 10.009 3.845 ( -7.655 0.000 10.431) 12.939 3.978 ( -5.601 0.000 -4.706) 7.316 4.072 ( -2.329 0.000 6.776) 7.165 4.237 ( -7.669 0.000 -1.565) 7.827 4.267 ( -2.173 0.000 4.858) 5.322 4.324 ( 3.087 -0.000 13.828) 14.168 4.482 ( 1.203 -0.000 -1.197) 1.697 4.636 ( -3.780 0.000 -5.630) 6.781 4.855 ( -0.706 0.000 -5.179) 5.227 4.923 ( -7.852 0.000 8.379) 11.483 5.132 ( 4.953 -0.000 -13.930) 14.784 5.217 ( -1.678 0.000 11.963) 12.080 5.349 ( -1.626 0.000 -9.334) 9.475 5.709 ( 4.678 -0.000 5.088) 6.911 5.939 ( 2.359 -0.000 -4.306) 4.910 5.977 ( 1.405 -0.000 6.719) 6.864 6.200 ( 4.706 -0.000 -4.829) 6.743 6.404 ( 8.958 -0.000 -14.627) 17.152 6.575 ( -0.798 0.000 1.038) 1.309 6.693 ( -2.053 0.000 -4.274) 4.741 6.946 ( 0.662 -0.000 -0.800) 1.038 6.954 ( -0.569 0.000 1.737) 1.828 7.236 ( -1.818 0.000 8.753) 8.940 7.365 ( 0.709 -0.000 6.069) 6.110 7.429 ( -2.525 0.000 2.320) 3.429 7.528 ( 2.990 -0.000 2.337) 3.795 7.629 ( -6.910 0.000 6.744) 9.655 7.656 ( -3.605 0.000 1.786) 4.023 7.717 ( -0.193 0.000 0.172) 0.259 7.907 ( -0.062 0.000 3.309) 3.309 8.234 ( 2.076 -0.000 -5.087) 5.494 8.247 ( -4.610 0.000 1.289) 4.786 8.352 ( -7.634 0.000 -11.791) 14.046 8.477 ( -2.032 0.000 -10.998) 11.184 8.783 ( -7.518 0.000 7.608) 10.696 8.787 ( 2.410 -0.000 2.191) 3.257 9.001 ( 2.426 -0.000 1.691) 2.957 9.127 ( 0.632 -0.000 1.272) 1.420 9.226 ( -3.649 0.000 -2.287) 4.307 9.329 ( 4.415 -0.000 -5.798) 7.288 9.681 ( 0.674 -0.000 -0.023) 0.674 9.695 ( -1.874 0.000 -2.060) 2.785 9.872 ( -2.931 0.000 9.166) 9.623 10.020 ( 0.980 -0.000 6.562) 6.634 10.804 ( 0.427 -0.000 1.526) 1.585 10.955 ( 1.725 -0.000 -11.538) 11.666 11.129 ( -0.787 0.000 -2.621) 2.736 11.217 ( -3.100 0.000 -9.567) 10.056 11.629 ( 0.347 -0.000 11.867) 11.872 11.756 ( 4.354 -0.000 5.029) 6.652 12.480 ( -0.079 0.000 -1.171) 1.173 12.491 ( 2.231 -0.000 -1.826) 2.883 12.556 ( 0.690 -0.000 1.414) 1.574 12.614 ( -2.647 0.000 -1.094) 2.864 13.081 ( -10.883 0.000 1.084) 10.937 13.214 ( -1.585 0.000 -4.280) 4.564 13.617 ( -4.711 0.000 -0.613) 4.751 13.639 ( -1.519 0.000 -1.945) 2.468 13.820 ( -6.383 0.000 7.537) 9.877 14.007 ( -12.970 0.000 -1.122) 13.019 14.048 ( 7.008 -0.000 3.975) 8.057 14.331 ( 8.792 -0.000 -9.738) 13.120 14.678 ( 14.976 -0.000 7.680) 16.831 14.916 ( 8.846 -0.000 -4.084) 9.744 15.860 ( 2.632 -0.000 1.024) 2.824 15.879 ( 5.133 -0.000 0.178) 5.136 ======================= Grid point 117 (46/75) ======================= q-point: (-0.56 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( -1.240 0.479 3.208) 3.473 1.051 ( -1.461 1.863 3.029) 3.844 1.099 ( -3.909 -0.784 1.129) 4.144 1.184 ( -0.239 0.467 -2.582) 2.635 1.326 ( -5.234 2.085 5.074) 7.582 1.353 ( -8.272 8.258 4.571) 12.550 1.483 ( -7.926 -5.837 -0.002) 9.843 1.582 ( -1.955 2.006 -2.783) 3.948 1.650 ( -3.444 0.471 -7.764) 8.507 1.685 ( -1.973 -3.391 -4.271) 5.799 1.791 ( -0.273 1.765 1.751) 2.501 1.822 ( 0.804 -1.306 1.256) 1.982 1.847 ( 0.464 1.278 0.732) 1.544 1.869 ( 1.077 -1.423 1.187) 2.143 1.934 ( 1.384 -0.191 5.139) 5.325 2.013 ( 2.632 1.751 0.035) 3.161 2.071 ( 0.081 -1.232 -1.860) 2.233 2.128 ( 3.645 0.563 -3.355) 4.986 2.150 ( -2.853 2.414 1.705) 4.107 2.197 ( -3.276 1.045 0.065) 3.439 2.223 ( 0.354 0.100 1.246) 1.299 2.277 ( -3.792 0.710 -0.383) 3.877 2.335 ( -1.138 0.402 -1.464) 1.897 2.412 ( -1.443 5.549 -0.936) 5.809 2.470 ( -3.826 -0.470 -1.551) 4.155 2.581 ( -2.279 -1.989 -8.925) 9.423 2.718 ( -0.091 -0.878 -0.467) 0.998 2.726 ( 0.179 -0.202 -0.887) 0.927 3.068 ( -3.330 -0.584 7.099) 7.863 3.093 ( -2.733 -0.341 2.843) 3.959 3.247 ( -7.969 1.573 -2.786) 8.587 3.288 ( -11.428 0.795 -2.756) 11.782 3.313 ( -9.990 -2.033 1.603) 10.320 3.372 ( -4.832 -0.428 0.208) 4.856 3.532 ( -2.749 2.433 2.380) 4.375 3.613 ( 2.385 -6.888 -2.743) 7.788 3.739 ( -5.177 -1.094 4.758) 7.116 3.930 ( 1.568 1.134 -8.241) 8.465 4.047 ( -2.190 -2.107 0.570) 3.092 4.146 ( -3.113 -0.304 -1.815) 3.617 4.247 ( 0.652 -0.033 13.134) 13.150 4.402 ( 2.490 0.014 5.146) 5.717 4.511 ( 1.283 2.028 2.684) 3.601 4.554 ( -2.948 -2.754 0.374) 4.052 4.790 ( -5.904 0.829 6.076) 8.512 4.832 ( -2.049 0.227 -3.347) 3.931 5.142 ( -5.124 1.271 10.617) 11.857 5.209 ( 2.771 -0.172 -12.077) 12.392 5.310 ( -2.511 -0.616 -18.686) 18.864 5.707 ( -2.880 0.532 -11.193) 11.570 6.002 ( 4.041 1.129 5.144) 6.638 6.025 ( 3.660 -0.815 9.997) 10.677 6.318 ( 7.429 0.194 2.477) 7.834 6.519 ( 0.192 0.430 -11.552) 11.562 6.558 ( -1.218 0.449 1.511) 1.992 6.679 ( 3.833 1.150 -2.915) 4.951 6.915 ( -3.092 0.902 2.120) 3.856 6.926 ( -3.468 -0.113 0.303) 3.483 7.227 ( 1.122 0.631 5.389) 5.541 7.382 ( 1.044 0.615 -0.479) 1.302 7.409 ( 0.355 -0.948 3.128) 3.288 7.516 ( -3.092 -0.268 10.262) 10.721 7.562 ( -3.276 1.273 0.141) 3.518 7.596 ( -1.674 -2.680 -2.907) 4.294 7.727 ( 1.886 -0.491 4.253) 4.679 7.874 ( -3.194 0.472 2.500) 4.083 8.170 ( -7.454 0.514 -3.060) 8.074 8.219 ( -2.681 -1.961 -1.670) 3.718 8.279 ( 1.871 -1.233 -8.093) 8.397 8.458 ( -0.243 -0.471 -8.584) 8.600 8.610 ( -10.395 0.062 11.275) 15.336 8.841 ( 2.355 -1.515 0.056) 2.801 9.061 ( 3.054 0.079 -2.859) 4.184 9.110 ( -3.829 -0.565 -5.779) 6.956 9.155 ( -2.451 -0.111 2.196) 3.293 9.387 ( 0.608 0.152 -8.927) 8.949 9.657 ( -0.036 2.331 4.446) 5.020 9.700 ( 1.504 -1.085 5.871) 6.157 9.847 ( -0.187 -1.130 6.692) 6.789 10.085 ( 6.823 0.098 3.658) 7.742 10.825 ( 1.370 -0.549 2.248) 2.689 10.935 ( -4.478 -0.760 -10.700) 11.624 11.131 ( -5.263 0.057 -6.417) 8.300 11.144 ( 1.089 -0.694 -3.476) 3.708 11.664 ( 3.535 0.125 9.835) 10.452 11.844 ( 5.023 0.037 0.709) 5.073 12.479 ( 0.075 0.464 -0.354) 0.588 12.522 ( 0.972 -0.214 -0.445) 1.090 12.573 ( -1.258 0.255 1.113) 1.699 12.587 ( 1.902 -1.376 -0.916) 2.520 12.883 ( -10.218 0.588 3.436) 10.797 13.112 ( -9.650 -0.332 -6.306) 11.533 13.506 ( -7.984 -0.068 1.719) 8.167 13.571 ( -7.127 -0.098 -1.794) 7.350 13.707 ( -4.214 0.220 4.613) 6.252 13.799 ( -6.904 1.253 0.095) 7.017 14.169 ( 5.124 -0.206 2.276) 5.611 14.480 ( 7.179 1.173 -13.931) 15.716 14.977 ( 16.988 4.266 9.205) 19.787 15.113 ( 12.140 -3.733 0.784) 12.725 15.911 ( 3.083 0.730 1.176) 3.379 15.979 ( 5.629 0.472 -1.565) 5.861 ======================= Grid point 118 (47/75) ======================= q-point: (-0.44 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( -4.695 6.964 6.265) 10.478 1.029 ( -2.855 4.899 3.553) 6.692 1.054 ( -2.701 0.978 2.838) 4.038 1.115 ( -6.371 2.823 4.856) 8.494 1.175 ( -0.052 0.597 -2.561) 2.630 1.260 ( -1.765 1.667 4.392) 5.018 1.349 ( -8.151 0.225 -6.436) 10.388 1.570 ( 0.289 0.341 -3.148) 3.179 1.602 ( -1.655 -0.844 -2.985) 3.516 1.697 ( 0.880 -1.305 -3.077) 3.456 1.771 ( -0.212 1.056 1.809) 2.106 1.812 ( -2.093 2.367 3.278) 4.553 1.846 ( 0.660 2.419 -1.049) 2.718 1.871 ( -1.557 3.235 3.070) 4.724 1.939 ( -2.192 3.184 0.536) 3.902 1.990 ( -0.987 1.553 -0.144) 1.846 2.031 ( -2.121 1.535 -0.589) 2.683 2.076 ( -1.146 -0.571 0.650) 1.436 2.128 ( -0.645 0.298 -1.021) 1.244 2.190 ( 1.593 0.045 -2.735) 3.165 2.229 ( -0.383 -0.487 1.946) 2.043 2.254 ( -0.351 0.994 0.733) 1.284 2.278 ( -0.650 1.694 -0.893) 2.022 2.380 ( -1.506 1.893 0.996) 2.616 2.435 ( -0.119 -0.519 0.825) 0.982 2.578 ( 0.321 -2.076 -13.700) 13.860 2.735 ( 0.901 -0.634 -1.142) 1.587 2.761 ( 2.554 -1.993 -2.733) 4.238 2.906 ( -9.717 -1.433 1.060) 9.879 3.012 ( -11.219 0.369 -2.953) 11.607 3.042 ( -3.512 0.522 1.504) 3.856 3.158 ( -4.722 -0.122 -5.154) 6.992 3.288 ( 2.390 -0.458 6.826) 7.247 3.342 ( -0.887 -2.121 3.894) 4.522 3.458 ( -4.539 -1.622 6.818) 8.350 3.652 ( -4.145 -5.295 10.142) 12.169 3.753 ( 6.067 -3.009 -5.366) 8.640 3.960 ( -0.036 0.436 -4.054) 4.078 4.019 ( -2.557 -3.307 -3.358) 5.362 4.135 ( 2.604 -0.147 -0.833) 2.738 4.288 ( 2.784 -0.711 14.753) 15.030 4.387 ( -3.383 -0.133 -4.736) 5.821 4.408 ( -6.456 -0.371 -1.374) 6.611 4.672 ( 8.780 0.599 11.031) 14.111 4.700 ( -2.989 1.415 3.304) 4.674 4.782 ( -2.445 1.425 -2.030) 3.483 5.017 ( -7.221 1.161 9.861) 12.277 5.235 ( 0.924 1.017 -12.943) 13.016 5.283 ( -1.599 -1.392 -18.664) 18.784 5.650 ( -1.959 1.106 -20.526) 20.649 6.067 ( 3.776 0.883 7.044) 8.041 6.101 ( 3.942 0.038 12.183) 12.805 6.425 ( -5.052 0.757 -2.880) 5.864 6.452 ( 4.745 0.433 7.136) 8.580 6.526 ( -0.935 1.386 1.386) 2.171 6.756 ( 2.988 1.976 -3.365) 4.914 6.826 ( -6.632 -0.064 1.787) 6.869 6.860 ( -0.741 2.624 -2.088) 3.434 7.252 ( 2.031 1.884 3.607) 4.548 7.395 ( 1.199 1.027 -2.670) 3.102 7.443 ( 1.640 -0.977 2.208) 2.919 7.482 ( -2.873 0.163 1.456) 3.225 7.500 ( -0.538 -0.826 2.460) 2.650 7.585 ( -1.179 -2.261 -4.207) 4.920 7.787 ( -0.437 -0.911 5.071) 5.171 7.808 ( -0.276 -1.639 5.687) 5.925 8.021 ( -6.793 0.353 -5.023) 8.456 8.241 ( 0.882 -3.662 4.340) 5.747 8.322 ( 1.641 -1.079 -9.669) 9.866 8.432 ( -6.725 -1.540 8.911) 11.269 8.474 ( -1.042 -1.526 -3.445) 3.909 8.876 ( -0.424 -1.057 -7.625) 7.709 9.014 ( -2.878 -0.744 -3.371) 4.494 9.105 ( -2.280 0.255 3.174) 3.917 9.146 ( 2.546 -1.466 -4.151) 5.085 9.338 ( -4.609 0.059 -7.223) 8.569 9.667 ( 2.498 3.458 6.733) 7.971 9.767 ( 4.132 -1.733 9.350) 10.368 9.869 ( 1.076 -1.313 6.988) 7.191 10.274 ( 13.274 -0.473 2.204) 13.464 10.815 ( -9.145 -2.357 -9.692) 13.532 10.855 ( 0.568 -0.893 -1.731) 2.029 11.024 ( -5.575 -1.049 -1.450) 5.855 11.181 ( 1.255 -1.324 -3.628) 4.061 11.743 ( 4.560 0.426 6.625) 8.054 11.925 ( 3.711 0.636 -2.087) 4.305 12.477 ( 0.458 1.109 1.621) 2.017 12.536 ( 0.471 -0.296 0.565) 0.793 12.557 ( -0.555 -0.126 2.770) 2.828 12.645 ( 2.247 -3.125 -2.311) 4.489 12.715 ( -7.191 0.450 2.184) 7.529 12.914 ( -10.518 -0.489 -5.377) 11.823 13.346 ( -8.102 -0.006 1.997) 8.344 13.410 ( -8.776 -0.341 -1.020) 8.841 13.667 ( -0.976 -0.147 3.424) 3.564 13.735 ( -0.940 -0.116 0.094) 0.952 14.227 ( 2.440 3.254 0.667) 4.122 14.566 ( 3.959 3.141 -16.626) 17.378 15.162 ( 8.812 7.748 12.320) 17.014 15.400 ( 12.279 -6.236 1.712) 13.878 15.952 ( 2.145 1.477 1.014) 2.794 16.062 ( 3.814 1.311 -2.656) 4.829 ======================= Grid point 119 (48/75) ======================= q-point: (-0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( -0.000 9.712 8.857) 13.145 0.846 ( -0.000 13.129 7.683) 15.212 1.048 ( 0.000 -0.949 3.059) 3.203 1.084 ( -0.000 0.819 0.006) 0.819 1.184 ( 0.000 -0.931 -1.933) 2.145 1.236 ( -0.000 3.836 -11.168) 11.809 1.240 ( -0.000 0.327 5.734) 5.743 1.555 ( -0.000 4.301 -7.279) 8.455 1.606 ( 0.000 -3.023 6.375) 7.055 1.664 ( -0.000 15.340 4.660) 16.032 1.757 ( -0.000 0.369 1.743) 1.782 1.772 ( -0.000 7.376 5.301) 9.083 1.787 ( 0.000 -4.850 -2.203) 5.327 1.840 ( -0.000 3.916 -1.486) 4.189 1.906 ( -0.000 0.387 -3.375) 3.397 1.959 ( -0.000 1.764 -4.656) 4.979 2.049 ( -0.000 0.022 -0.619) 0.619 2.057 ( 0.000 -3.413 5.114) 6.149 2.123 ( -0.000 1.656 -1.780) 2.431 2.199 ( -0.000 4.622 1.418) 4.834 2.217 ( 0.000 -1.696 -2.685) 3.176 2.252 ( 0.000 -2.543 1.399) 2.903 2.284 ( 0.000 -1.851 -0.931) 2.072 2.345 ( -0.000 3.161 1.957) 3.717 2.447 ( 0.000 -1.814 -0.075) 1.816 2.604 ( 0.000 -2.454 -11.490) 11.749 2.746 ( -0.000 0.082 2.388) 2.389 2.810 ( 0.000 -2.070 -2.291) 3.088 2.851 ( 0.000 -3.811 -6.950) 7.927 2.868 ( -0.000 0.466 -2.894) 2.932 3.009 ( -0.000 0.180 1.034) 1.050 3.114 ( 0.000 -0.173 -4.875) 4.878 3.333 ( 0.000 -1.353 5.420) 5.586 3.379 ( 0.000 -3.799 8.691) 9.485 3.390 ( 0.000 -1.653 1.318) 2.115 3.650 ( 0.000 -4.241 5.357) 6.832 3.871 ( -0.000 0.249 0.217) 0.330 3.949 ( 0.000 -9.530 6.735) 11.669 4.008 ( 0.000 -0.629 -5.773) 5.807 4.200 ( 0.000 -0.774 2.654) 2.764 4.322 ( -0.000 1.714 -6.945) 7.153 4.330 ( 0.000 -1.458 10.031) 10.136 4.339 ( 0.000 -0.369 -3.569) 3.588 4.657 ( -0.000 2.123 2.589) 3.348 4.741 ( -0.000 2.239 -1.310) 2.594 4.777 ( -0.000 3.810 12.378) 12.952 4.907 ( -0.000 0.023 8.885) 8.885 5.254 ( -0.000 0.319 -6.507) 6.515 5.257 ( 0.000 -0.578 -24.168) 24.175 5.622 ( -0.000 1.886 -24.494) 24.567 6.101 ( -0.000 0.063 3.834) 3.834 6.147 ( -0.000 1.609 19.689) 19.755 6.338 ( -0.000 0.364 -6.808) 6.817 6.477 ( -0.000 3.497 7.587) 8.354 6.547 ( 0.000 -0.253 5.023) 5.029 6.742 ( 0.000 -0.168 1.838) 1.846 6.764 ( -0.000 0.240 1.472) 1.491 6.829 ( -0.000 5.893 -6.889) 9.066 7.255 ( -0.000 2.769 3.353) 4.349 7.401 ( -0.000 0.802 -3.309) 3.405 7.448 ( 0.000 -0.004 0.912) 0.912 7.468 ( 0.000 -0.698 2.267) 2.372 7.499 ( 0.000 -0.130 -1.274) 1.281 7.611 ( 0.000 -3.448 -2.799) 4.441 7.744 ( 0.000 -0.291 3.715) 3.726 7.869 ( 0.000 -3.837 9.433) 10.184 7.948 ( 0.000 -0.110 -5.792) 5.793 8.262 ( 0.000 -0.174 5.810) 5.812 8.344 ( 0.000 -1.238 -9.097) 9.181 8.409 ( 0.000 -8.580 7.668) 11.507 8.471 ( -0.000 0.172 -4.159) 4.163 8.862 ( 0.000 -0.815 -13.498) 13.522 9.017 ( 0.000 -2.110 0.967) 2.321 9.071 ( 0.000 -0.014 4.276) 4.276 9.190 ( 0.000 -0.328 -5.979) 5.988 9.279 ( 0.000 -0.210 -5.069) 5.073 9.664 ( -0.000 3.844 7.110) 8.082 9.830 ( 0.000 -1.783 5.650) 5.925 9.897 ( 0.000 -2.932 14.130) 14.431 10.473 ( -0.000 0.068 8.708) 8.708 10.698 ( 0.000 -6.196 -16.859) 17.961 10.862 ( 0.000 -0.130 -8.407) 8.408 10.982 ( 0.000 -2.277 5.579) 6.026 11.206 ( 0.000 -2.108 -3.280) 3.899 11.789 ( -0.000 0.370 4.568) 4.583 11.954 ( -0.000 1.414 -3.026) 3.340 12.477 ( -0.000 0.807 2.916) 3.026 12.545 ( 0.000 -0.229 -0.205) 0.307 12.548 ( -0.000 0.089 5.857) 5.857 12.639 ( -0.000 0.395 0.082) 0.403 12.708 ( 0.000 -5.673 -2.224) 6.093 12.802 ( -0.000 0.115 -5.343) 5.344 13.263 ( 0.000 -0.005 1.682) 1.682 13.319 ( -0.000 0.060 -0.895) 0.897 13.661 ( 0.000 -0.281 3.558) 3.569 13.733 ( 0.000 -0.780 0.049) 0.782 14.212 ( -0.000 5.571 0.293) 5.579 14.571 ( -0.000 5.051 -17.661) 18.369 15.182 ( -0.000 8.263 15.284) 17.374 15.572 ( 0.000 -5.553 -1.790) 5.834 15.959 ( -0.000 2.112 0.996) 2.335 16.085 ( -0.000 2.034 -2.576) 3.282 ======================= Grid point 126 (49/75) ======================= q-point: (-0.56 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( -4.298 0.000 5.933) 7.326 1.031 ( -0.628 0.000 3.250) 3.310 1.056 ( 0.187 -0.000 3.247) 3.252 1.164 ( -3.862 0.000 -0.406) 3.883 1.218 ( -8.848 0.000 2.443) 9.179 1.275 ( -1.571 0.000 4.456) 4.725 1.308 ( -6.691 0.000 -0.567) 6.715 1.594 ( 1.222 -0.000 -2.898) 3.145 1.605 ( -1.762 0.000 -9.052) 9.222 1.642 ( -0.375 0.000 -5.167) 5.180 1.809 ( 0.223 -0.000 2.943) 2.952 1.815 ( 0.354 -0.000 2.423) 2.449 1.870 ( 0.324 -0.000 0.111) 0.342 1.876 ( 1.059 -0.000 1.195) 1.597 1.963 ( 1.775 -0.000 3.556) 3.974 2.017 ( -3.814 0.000 -0.522) 3.850 2.055 ( -1.408 0.000 -2.522) 2.889 2.079 ( -4.096 0.000 -1.042) 4.226 2.113 ( -2.865 0.000 2.484) 3.792 2.185 ( 1.223 -0.000 -3.251) 3.474 2.229 ( 0.142 -0.000 1.633) 1.639 2.256 ( 0.362 -0.000 0.591) 0.693 2.318 ( -1.214 0.000 -3.165) 3.389 2.382 ( -1.824 0.000 4.423) 4.784 2.437 ( -1.183 0.000 0.950) 1.517 2.559 ( 0.958 -0.000 -19.321) 19.345 2.739 ( 0.867 -0.000 0.121) 0.875 2.739 ( 2.864 -0.000 -1.061) 3.054 2.894 ( -9.327 0.000 1.487) 9.445 3.017 ( -10.520 0.000 -2.849) 10.899 3.049 ( -4.951 0.000 0.729) 5.005 3.156 ( -4.816 0.000 -4.638) 6.686 3.288 ( 2.975 -0.000 9.016) 9.494 3.319 ( -0.839 0.000 3.938) 4.027 3.448 ( -6.151 0.000 4.925) 7.880 3.596 ( -2.703 0.000 16.567) 16.786 3.732 ( 5.369 -0.000 -8.505) 10.058 3.968 ( -5.129 0.000 -0.274) 5.137 3.990 ( 1.985 -0.000 -7.796) 8.045 4.134 ( 2.681 -0.000 -1.127) 2.909 4.283 ( 2.521 -0.000 15.265) 15.472 4.384 ( -3.120 0.000 -5.757) 6.548 4.406 ( -6.762 0.000 -1.690) 6.970 4.677 ( 9.814 -0.000 10.742) 14.550 4.711 ( -3.011 0.000 3.425) 4.560 4.793 ( -2.260 0.000 -2.119) 3.098 5.026 ( -7.512 0.000 9.596) 12.187 5.250 ( 1.169 -0.000 -9.095) 9.170 5.265 ( -1.707 0.000 -22.559) 22.623 5.658 ( -1.955 0.000 -20.423) 20.516 6.075 ( 2.808 -0.000 4.071) 4.945 6.100 ( 5.175 -0.000 15.193) 16.050 6.432 ( -6.883 0.000 -4.291) 8.111 6.454 ( 6.934 -0.000 8.402) 10.894 6.539 ( -0.989 0.000 2.101) 2.322 6.770 ( 1.583 -0.000 -2.098) 2.628 6.826 ( -6.699 0.000 2.151) 7.036 6.884 ( 0.887 -0.000 -3.822) 3.923 7.267 ( 2.184 -0.000 3.427) 4.064 7.409 ( 1.243 -0.000 -3.036) 3.281 7.432 ( 2.597 -0.000 2.123) 3.354 7.486 ( -3.744 0.000 1.311) 3.967 7.491 ( 0.076 -0.000 2.807) 2.808 7.564 ( -1.782 0.000 -5.368) 5.656 7.780 ( 3.560 -0.000 8.530) 9.243 7.797 ( -4.814 0.000 2.826) 5.582 8.023 ( -7.192 0.000 -5.087) 8.809 8.209 ( 1.888 -0.000 5.396) 5.717 8.313 ( 1.859 -0.000 -9.818) 9.993 8.422 ( -9.371 0.000 11.730) 15.014 8.464 ( 0.778 -0.000 -6.036) 6.085 8.867 ( 0.315 -0.000 -5.984) 5.992 9.010 ( -3.852 0.000 -4.973) 6.290 9.109 ( -3.054 0.000 3.824) 4.893 9.130 ( 3.682 -0.000 -4.914) 6.141 9.338 ( -4.713 0.000 -7.247) 8.645 9.702 ( 2.556 -0.000 5.163) 5.762 9.745 ( 3.729 -0.000 12.446) 12.992 9.860 ( 1.366 -0.000 4.959) 5.143 10.270 ( 13.007 -0.000 1.436) 13.086 10.797 ( -9.963 0.000 -9.990) 14.109 10.848 ( 1.180 -0.000 -0.919) 1.496 11.015 ( -5.904 0.000 -1.590) 6.115 11.170 ( 1.118 -0.000 -3.657) 3.824 11.746 ( 4.468 -0.000 6.738) 8.085 11.929 ( 3.792 -0.000 -2.006) 4.290 12.487 ( 0.603 -0.000 1.306) 1.438 12.533 ( 0.418 -0.000 0.191) 0.459 12.556 ( -0.623 0.000 3.404) 3.461 12.622 ( 2.254 -0.000 -1.756) 2.858 12.719 ( -7.289 0.000 1.625) 7.468 12.911 ( -10.298 0.000 -5.368) 11.613 13.346 ( -8.112 0.000 1.886) 8.328 13.407 ( -8.613 0.000 -1.027) 8.674 13.666 ( -1.029 0.000 3.425) 3.577 13.734 ( -1.314 0.000 0.030) 1.314 14.253 ( 3.307 -0.000 0.654) 3.371 14.590 ( 4.052 -0.000 -16.468) 16.959 15.270 ( 7.614 -0.000 6.316) 9.892 15.300 ( 13.121 -0.000 8.733) 15.761 15.964 ( 2.169 -0.000 0.804) 2.313 16.072 ( 3.919 -0.000 -3.017) 4.946 ======================= Grid point 128 (50/75) ======================= q-point: (-0.44 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( -0.000 5.154 8.631) 10.053 1.024 ( -0.000 8.609 5.071) 9.991 1.032 ( 0.000 -1.113 3.355) 3.535 1.068 ( 0.000 -1.610 3.747) 4.078 1.177 ( 0.000 -0.227 -2.919) 2.928 1.245 ( 0.000 -2.419 -4.221) 4.864 1.258 ( -0.000 1.129 3.720) 3.887 1.586 ( -0.000 0.800 -9.430) 9.464 1.592 ( -0.000 2.346 -0.185) 2.353 1.677 ( 0.000 -6.366 -4.098) 7.571 1.802 ( -0.000 3.015 2.825) 4.132 1.808 ( -0.000 2.602 3.049) 4.008 1.866 ( -0.000 2.002 -0.706) 2.123 1.901 ( 0.000 -0.957 -0.705) 1.189 1.919 ( -0.000 6.164 1.287) 6.297 1.990 ( -0.000 2.102 -3.186) 3.817 2.017 ( 0.000 -1.412 4.973) 5.170 2.054 ( -0.000 1.035 0.040) 1.035 2.104 ( 0.000 -3.898 -0.373) 3.916 2.197 ( 0.000 -0.748 -3.042) 3.133 2.229 ( -0.000 0.414 2.365) 2.401 2.263 ( 0.000 -0.011 -0.588) 0.588 2.289 ( -0.000 3.682 -2.046) 4.212 2.373 ( 0.000 -0.266 3.504) 3.514 2.425 ( 0.000 -0.197 1.505) 1.518 2.579 ( 0.000 -0.996 -19.584) 19.610 2.747 ( -0.000 0.043 2.466) 2.467 2.794 ( -0.000 0.359 -1.840) 1.875 2.814 ( 0.000 -1.641 -2.406) 2.912 2.873 ( -0.000 0.167 -2.973) 2.978 3.012 ( -0.000 0.190 1.098) 1.114 3.109 ( 0.000 -0.247 -4.172) 4.180 3.321 ( 0.000 -0.285 4.537) 4.546 3.339 ( 0.000 -1.376 9.808) 9.904 3.369 ( 0.000 -0.863 1.169) 1.453 3.579 ( 0.000 -3.751 17.043) 17.451 3.848 ( 0.000 -3.192 -1.980) 3.756 3.874 ( -0.000 0.101 0.106) 0.146 4.001 ( 0.000 -0.235 -5.624) 5.629 4.192 ( 0.000 -0.244 2.874) 2.884 4.313 ( 0.000 -0.484 14.976) 14.983 4.334 ( -0.000 0.051 -12.500) 12.500 4.336 ( 0.000 -0.104 -3.530) 3.532 4.680 ( -0.000 0.783 2.540) 2.658 4.766 ( -0.000 0.829 -1.373) 1.604 4.815 ( -0.000 1.204 10.757) 10.824 4.907 ( -0.000 0.021 8.986) 8.986 5.250 ( 0.000 -0.260 -23.866) 23.868 5.257 ( -0.000 0.117 -6.511) 6.512 5.640 ( -0.000 0.495 -24.072) 24.077 6.102 ( -0.000 0.022 3.801) 3.801 6.168 ( -0.000 0.836 20.582) 20.599 6.342 ( -0.000 0.142 -6.982) 6.983 6.515 ( -0.000 1.270 8.276) 8.373 6.546 ( -0.000 0.064 5.227) 5.227 6.740 ( 0.000 -0.063 2.004) 2.005 6.767 ( -0.000 0.096 1.508) 1.512 6.898 ( -0.000 2.569 -8.201) 8.594 7.286 ( -0.000 1.061 2.980) 3.163 7.418 ( -0.000 1.028 -3.152) 3.315 7.448 ( 0.000 -0.001 0.873) 0.873 7.467 ( -0.000 0.417 0.873) 0.967 7.497 ( 0.000 -0.052 -1.248) 1.249 7.554 ( 0.000 -3.056 -4.320) 5.292 7.741 ( 0.000 -0.115 3.727) 3.729 7.829 ( 0.000 -1.350 10.682) 10.767 7.946 ( 0.000 -0.045 -5.901) 5.901 8.260 ( 0.000 -0.068 5.942) 5.942 8.311 ( 0.000 -2.769 11.157) 11.496 8.335 ( 0.000 -0.878 -9.850) 9.889 8.473 ( -0.000 0.068 -4.236) 4.237 8.856 ( 0.000 -0.158 -13.231) 13.232 8.992 ( 0.000 -0.907 0.498) 1.035 9.070 ( 0.000 -0.006 4.260) 4.260 9.180 ( 0.000 -0.612 -6.543) 6.571 9.276 ( 0.000 -0.084 -4.986) 4.987 9.717 ( -0.000 2.602 6.000) 6.540 9.797 ( 0.000 -1.935 13.431) 13.570 9.876 ( 0.000 -0.386 5.298) 5.312 10.474 ( -0.000 0.027 8.636) 8.636 10.635 ( 0.000 -2.022 -17.924) 18.038 10.860 ( 0.000 -0.053 -8.371) 8.372 10.957 ( 0.000 -0.898 5.916) 5.984 11.183 ( 0.000 -0.788 -3.403) 3.493 11.793 ( -0.000 0.081 5.220) 5.220 11.966 ( -0.000 0.262 -2.843) 2.855 12.493 ( -0.000 0.898 2.220) 2.394 12.539 ( 0.000 -0.410 0.267) 0.489 12.549 ( -0.000 0.036 5.858) 5.858 12.644 ( -0.000 0.298 -1.106) 1.145 12.656 ( 0.000 -1.535 -1.304) 2.014 12.803 ( -0.000 0.046 -5.356) 5.356 13.263 ( 0.000 -0.002 1.702) 1.702 13.320 ( -0.000 0.024 -0.908) 0.909 13.658 ( 0.000 -0.104 3.420) 3.422 13.726 ( 0.000 -0.208 0.031) 0.211 14.275 ( -0.000 2.255 -0.000) 2.255 14.622 ( -0.000 1.559 -17.451) 17.521 15.306 ( -0.000 7.433 10.836) 13.140 15.464 ( 0.000 -7.308 5.869) 9.373 15.982 ( -0.000 0.788 0.498) 0.932 16.107 ( -0.000 0.730 -3.377) 3.455 ======================= Grid point 170 (51/75) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( 0.000 0.000 -15.045) 15.045 0.646 ( 0.000 0.000 15.045) 15.045 0.736 ( 0.000 0.000 -18.924) 18.924 0.736 ( 0.000 0.000 18.924) 18.924 1.198 ( 0.000 0.000 -6.849) 6.849 1.198 ( 0.000 0.000 6.849) 6.849 1.254 ( 0.000 0.000 -14.682) 14.682 1.254 ( 0.000 0.000 14.682) 14.682 1.530 ( 0.000 0.000 -10.012) 10.012 1.530 ( 0.000 0.000 10.012) 10.012 1.688 ( 0.000 0.000 -4.594) 4.594 1.688 ( 0.000 0.000 4.594) 4.594 1.757 ( 0.000 0.000 -7.328) 7.328 1.757 ( 0.000 0.000 7.328) 7.328 1.908 ( 0.000 0.000 -2.742) 2.742 1.908 ( 0.000 0.000 2.742) 2.742 2.092 ( 0.000 0.000 -0.096) 0.096 2.092 ( 0.000 0.000 0.096) 0.096 2.226 ( 0.000 0.000 -3.279) 3.279 2.226 ( 0.000 0.000 3.279) 3.279 2.253 ( 0.000 0.000 -3.913) 3.913 2.253 ( 0.000 0.000 3.913) 3.913 2.310 ( 0.000 0.000 -3.723) 3.723 2.310 ( 0.000 0.000 3.723) 3.723 2.791 ( 0.000 0.000 -0.329) 0.329 2.791 ( 0.000 0.000 0.329) 0.329 2.793 ( 0.000 0.000 -3.006) 3.006 2.793 ( 0.000 0.000 3.006) 3.006 2.899 ( 0.000 0.000 -4.643) 4.643 2.899 ( 0.000 0.000 4.643) 4.643 3.036 ( 0.000 0.000 -2.539) 2.539 3.036 ( 0.000 0.000 2.539) 2.539 3.466 ( 0.000 0.000 -0.640) 0.640 3.466 ( 0.000 0.000 0.640) 0.640 3.677 ( 0.000 0.000 -2.157) 2.157 3.677 ( 0.000 0.000 2.157) 2.157 3.910 ( 0.000 0.000 -5.305) 5.305 3.910 ( 0.000 0.000 5.305) 5.305 3.933 ( 0.000 0.000 -2.108) 2.108 3.933 ( 0.000 0.000 2.108) 2.108 4.299 ( 0.000 0.000 -3.564) 3.564 4.299 ( 0.000 0.000 3.564) 3.564 4.610 ( 0.000 0.000 -2.218) 2.218 4.610 ( 0.000 0.000 2.218) 2.218 4.766 ( 0.000 0.000 -13.346) 13.346 4.766 ( 0.000 0.000 13.346) 13.346 5.061 ( 0.000 0.000 -16.874) 16.874 5.061 ( 0.000 0.000 16.874) 16.874 5.085 ( 0.000 0.000 -9.885) 9.885 5.085 ( 0.000 0.000 9.885) 9.885 6.199 ( 0.000 0.000 -6.670) 6.670 6.199 ( 0.000 0.000 6.670) 6.670 6.396 ( 0.000 0.000 -3.840) 3.840 6.396 ( 0.000 0.000 3.840) 3.840 6.556 ( 0.000 0.000 -0.795) 0.795 6.556 ( 0.000 0.000 0.795) 0.795 6.766 ( 0.000 0.000 -0.222) 0.222 6.766 ( 0.000 0.000 0.222) 0.222 7.296 ( 0.000 0.000 -6.116) 6.116 7.296 ( 0.000 0.000 6.116) 6.116 7.474 ( 0.000 0.000 -1.680) 1.680 7.474 ( 0.000 0.000 1.680) 1.680 7.660 ( 0.000 0.000 -4.897) 4.897 7.660 ( 0.000 0.000 4.897) 4.897 7.845 ( 0.000 0.000 -5.758) 5.758 7.845 ( 0.000 0.000 5.758) 5.758 8.149 ( 0.000 0.000 -9.785) 9.785 8.149 ( 0.000 0.000 9.785) 9.785 8.374 ( 0.000 0.000 -5.685) 5.685 8.374 ( 0.000 0.000 5.685) 5.685 8.886 ( 0.000 0.000 -6.585) 6.585 8.886 ( 0.000 0.000 6.585) 6.585 9.054 ( 0.000 0.000 -1.577) 1.577 9.054 ( 0.000 0.000 1.577) 1.577 9.173 ( 0.000 0.000 -6.378) 6.378 9.173 ( 0.000 0.000 6.378) 6.378 9.702 ( 0.000 0.000 -8.435) 8.435 9.702 ( 0.000 0.000 8.435) 8.435 10.671 ( 0.000 0.000 -11.836) 11.836 10.671 ( 0.000 0.000 11.836) 11.836 10.802 ( 0.000 0.000 -14.260) 14.260 10.802 ( 0.000 0.000 14.260) 14.260 11.254 ( 0.000 0.000 -1.560) 1.560 11.254 ( 0.000 0.000 1.560) 1.560 11.744 ( 0.000 0.000 -4.030) 4.030 11.744 ( 0.000 0.000 4.030) 4.030 12.539 ( 0.000 0.000 -0.565) 0.565 12.539 ( 0.000 0.000 0.565) 0.565 12.674 ( 0.000 0.000 -7.535) 7.535 12.674 ( 0.000 0.000 7.535) 7.535 13.015 ( 0.000 0.000 -11.392) 11.392 13.015 ( 0.000 0.000 11.392) 11.392 13.294 ( 0.000 0.000 -1.575) 1.575 13.294 ( 0.000 0.000 1.575) 1.575 13.810 ( 0.000 0.000 -2.466) 2.466 13.810 ( 0.000 0.000 2.466) 2.466 14.096 ( 0.000 0.000 -5.476) 5.476 14.096 ( 0.000 0.000 5.476) 5.476 14.910 ( 0.000 0.000 -2.260) 2.260 14.910 ( 0.000 0.000 2.260) 2.260 15.931 ( 0.000 0.000 -3.729) 3.729 15.931 ( 0.000 0.000 3.729) 3.729 ======================= Grid point 172 (52/75) ======================= q-point: ( 0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( 6.981 -3.751 -6.643) 10.341 0.713 ( 6.981 -3.751 6.643) 10.341 0.861 ( 8.813 -2.674 -8.987) 12.868 0.861 ( 8.813 -2.674 8.987) 12.868 1.201 ( -0.250 0.658 -3.672) 3.739 1.201 ( -0.250 0.658 3.672) 3.739 1.335 ( 6.522 -2.220 -8.860) 11.223 1.335 ( 6.522 -2.220 8.860) 11.223 1.566 ( 4.898 -2.012 -14.704) 15.629 1.566 ( 4.898 -2.012 14.704) 15.629 1.702 ( 1.338 -0.867 -5.003) 5.250 1.702 ( 1.338 -0.867 5.003) 5.250 1.793 ( 3.177 -0.676 -5.793) 6.642 1.793 ( 3.177 -0.676 5.793) 6.642 1.921 ( 2.069 1.817 -3.080) 4.131 1.921 ( 2.069 1.817 3.080) 4.131 2.086 ( -0.125 0.973 -0.667) 1.186 2.086 ( -0.125 0.973 0.667) 1.186 2.183 ( -3.706 0.784 -3.799) 5.365 2.183 ( -3.706 0.784 3.799) 5.365 2.236 ( -1.944 0.108 -2.425) 3.110 2.236 ( -1.944 0.108 2.425) 3.110 2.299 ( -1.605 -1.349 -3.672) 4.228 2.299 ( -1.605 -1.349 3.672) 4.228 2.596 ( -8.308 1.658 -5.054) 9.864 2.596 ( -8.308 1.658 5.054) 9.864 2.834 ( -1.556 2.655 -2.965) 4.274 2.834 ( -1.556 2.655 2.965) 4.274 3.028 ( 11.036 1.786 -1.741) 11.314 3.028 ( 11.036 1.786 1.741) 11.314 3.074 ( 5.866 0.645 -2.049) 6.247 3.074 ( 5.866 0.645 2.049) 6.247 3.424 ( -2.094 0.407 -3.486) 4.087 3.424 ( -2.094 0.407 3.486) 4.087 3.658 ( -5.223 -0.734 -7.466) 9.142 3.658 ( -5.223 -0.734 7.466) 9.142 3.823 ( 2.142 -0.773 -7.300) 7.647 3.823 ( 2.142 -0.773 7.300) 7.647 4.133 ( 7.056 -0.685 -1.431) 7.232 4.133 ( 7.056 -0.685 1.431) 7.232 4.346 ( 4.456 -1.006 -1.725) 4.883 4.346 ( 4.456 -1.006 1.725) 4.883 4.642 ( 0.612 -0.347 -4.437) 4.493 4.642 ( 0.612 -0.347 4.437) 4.493 4.735 ( -0.316 -0.060 -5.044) 5.054 4.735 ( -0.316 -0.060 5.044) 5.054 5.026 ( -0.050 -0.899 -6.110) 6.176 5.026 ( -0.050 -0.899 6.110) 6.176 5.216 ( 8.907 -0.135 -14.154) 16.724 5.216 ( 8.907 -0.135 14.154) 16.724 6.165 ( -3.038 -0.293 -5.177) 6.009 6.165 ( -3.038 -0.293 5.177) 6.009 6.439 ( 2.700 0.231 -5.362) 6.008 6.439 ( 2.700 0.231 5.362) 6.008 6.475 ( -6.652 -1.262 -5.139) 8.500 6.475 ( -6.652 -1.262 5.139) 8.500 6.817 ( 4.069 -0.115 -1.298) 4.273 6.817 ( 4.069 -0.115 1.298) 4.273 7.289 ( -0.605 -0.041 -5.707) 5.739 7.289 ( -0.605 -0.041 5.707) 5.739 7.498 ( 2.284 -0.026 -1.950) 3.003 7.498 ( 2.284 -0.026 1.950) 3.003 7.667 ( 1.634 1.347 -3.510) 4.099 7.667 ( 1.634 1.347 3.510) 4.099 7.878 ( 2.878 -0.009 -4.958) 5.733 7.878 ( 2.878 -0.009 4.958) 5.733 8.114 ( -3.072 0.203 -10.550) 10.990 8.114 ( -3.072 0.203 10.550) 10.990 8.459 ( 7.299 0.907 -8.263) 11.062 8.459 ( 7.299 0.907 8.263) 11.062 8.856 ( -0.894 4.104 -6.210) 7.497 8.856 ( -0.894 4.104 6.210) 7.497 9.062 ( 0.327 -1.283 -1.828) 2.258 9.062 ( 0.327 -1.283 1.828) 2.258 9.193 ( 1.815 -0.200 -6.950) 7.186 9.193 ( 1.815 -0.200 6.950) 7.186 9.666 ( -4.170 -1.166 -7.893) 9.003 9.666 ( -4.170 -1.166 7.893) 9.003 10.379 ( -18.074 2.261 -1.845) 18.308 10.379 ( -18.074 2.261 1.845) 18.308 10.920 ( 6.089 3.569 -3.765) 8.000 10.920 ( 6.089 3.569 3.765) 8.000 11.172 ( -5.101 1.215 -5.220) 7.399 11.172 ( -5.101 1.215 5.220) 7.399 11.743 ( -1.151 -2.294 -4.070) 4.812 11.743 ( -1.151 -2.294 4.070) 4.812 12.529 ( -0.747 0.007 -0.414) 0.854 12.529 ( -0.747 0.007 0.414) 0.854 12.700 ( 0.377 1.226 -12.158) 12.226 12.700 ( 0.377 1.226 12.158) 12.226 12.964 ( 1.969 3.924 -8.474) 9.544 12.964 ( 1.969 3.924 8.474) 9.544 13.485 ( 14.307 3.140 -4.706) 15.385 13.485 ( 14.307 3.140 4.706) 15.385 13.790 ( -0.467 3.586 -2.212) 4.239 13.790 ( -0.467 3.586 2.212) 4.239 14.128 ( 2.613 -1.729 -6.610) 7.315 14.128 ( 2.613 -1.729 6.610) 7.315 14.894 ( -7.507 -12.451 -7.776) 16.487 14.894 ( -7.507 -12.451 7.776) 16.487 15.918 ( -1.858 -0.989 -3.634) 4.200 15.918 ( -1.858 -0.989 3.634) 4.200 ======================= Grid point 174 (53/75) ======================= q-point: ( 0.22 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( 10.349 -3.919 -2.260) 11.294 0.919 ( 10.349 -3.919 2.260) 11.294 1.039 ( 7.968 -3.729 -3.413) 9.437 1.039 ( 7.968 -3.729 3.413) 9.437 1.189 ( -0.223 0.037 -3.015) 3.023 1.189 ( -0.223 0.037 3.015) 3.023 1.436 ( 4.218 -0.973 -5.048) 6.650 1.436 ( 4.218 -0.973 5.048) 6.650 1.713 ( 4.214 -0.205 -5.019) 6.557 1.713 ( 4.214 -0.205 5.019) 6.557 1.784 ( 5.942 -3.127 -6.588) 9.407 1.784 ( 5.942 -3.127 6.588) 9.407 1.868 ( 4.151 -1.328 -1.506) 4.611 1.868 ( 4.151 -1.328 1.506) 4.611 1.958 ( 4.892 2.787 -4.790) 7.392 1.958 ( 4.892 2.787 4.790) 7.392 2.076 ( -0.125 1.689 -1.334) 2.156 2.076 ( -0.125 1.689 1.334) 2.156 2.101 ( -4.009 0.758 -4.000) 5.714 2.101 ( -4.009 0.758 4.000) 5.714 2.194 ( -1.980 -1.921 -1.864) 3.330 2.194 ( -1.980 -1.921 1.864) 3.330 2.281 ( -1.859 -2.600 -1.872) 3.704 2.281 ( -1.859 -2.600 1.872) 3.704 2.491 ( -2.812 -0.300 -5.842) 6.490 2.491 ( -2.812 -0.300 5.842) 6.490 2.797 ( 0.081 2.902 -2.484) 3.821 2.797 ( 0.081 2.902 2.484) 3.821 3.121 ( 3.172 -0.598 -3.627) 4.855 3.121 ( 3.172 -0.598 3.627) 4.855 3.273 ( 10.032 3.490 -1.232) 10.693 3.273 ( 10.032 3.490 1.232) 10.693 3.433 ( 5.634 0.979 -2.740) 6.340 3.433 ( 5.634 0.979 2.740) 6.340 3.551 ( -6.465 -3.126 -9.701) 12.070 3.551 ( -6.465 -3.126 9.701) 12.070 3.909 ( 6.255 1.566 -9.789) 11.722 3.909 ( 6.255 1.566 9.789) 11.722 4.202 ( 2.800 2.372 -3.531) 5.093 4.202 ( 2.800 2.372 3.531) 5.093 4.423 ( 2.413 -0.474 -2.064) 3.211 4.423 ( 2.413 -0.474 2.064) 3.211 4.588 ( -4.002 -0.168 -5.747) 7.005 4.588 ( -4.002 -0.168 5.747) 7.005 4.811 ( 5.588 -0.483 -1.774) 5.883 4.811 ( 5.588 -0.483 1.774) 5.883 5.057 ( 1.918 -0.999 -3.424) 4.050 5.057 ( 1.918 -0.999 3.424) 4.050 5.376 ( 8.213 0.034 -15.142) 17.226 5.376 ( 8.213 0.034 15.142) 17.226 6.109 ( -3.695 -0.949 -6.936) 7.916 6.109 ( -3.695 -0.949 6.936) 7.916 6.302 ( -10.144 -0.302 -2.309) 10.408 6.302 ( -10.144 -0.302 2.309) 10.408 6.526 ( 3.525 -1.226 -1.799) 4.143 6.526 ( 3.525 -1.226 1.799) 4.143 6.887 ( 2.986 -0.499 -3.230) 4.427 6.887 ( 2.986 -0.499 3.230) 4.427 7.286 ( 0.630 -0.196 -4.816) 4.861 7.286 ( 0.630 -0.196 4.816) 4.861 7.541 ( 2.094 0.275 -2.619) 3.365 7.541 ( 2.094 0.275 2.619) 3.365 7.705 ( 3.703 2.225 -3.394) 5.494 7.705 ( 3.703 2.225 3.394) 5.494 7.903 ( -1.012 0.040 -2.116) 2.346 7.903 ( -1.012 0.040 2.116) 2.346 8.081 ( 0.823 -0.193 -8.335) 8.377 8.081 ( 0.823 -0.193 8.335) 8.377 8.525 ( 0.988 4.578 -6.994) 8.417 8.525 ( 0.988 4.578 6.994) 8.417 8.829 ( 1.055 2.122 -5.215) 5.729 8.829 ( 1.055 2.122 5.215) 5.729 9.089 ( 1.954 -0.365 -1.658) 2.588 9.089 ( 1.954 -0.365 1.658) 2.588 9.223 ( 0.680 -0.637 -7.519) 7.576 9.223 ( 0.680 -0.637 7.519) 7.576 9.603 ( -3.045 -2.482 -6.291) 7.417 9.603 ( -3.045 -2.482 6.291) 7.417 10.134 ( -6.852 1.375 -2.381) 7.383 10.134 ( -6.852 1.375 2.381) 7.383 10.938 ( -0.848 3.398 -3.335) 4.836 10.938 ( -0.848 3.398 3.335) 4.836 11.115 ( -0.567 0.095 -3.216) 3.267 11.115 ( -0.567 0.095 3.216) 3.267 11.743 ( -0.549 -2.365 -4.256) 4.900 11.743 ( -0.549 -2.365 4.256) 4.900 12.513 ( -1.141 0.084 -2.118) 2.407 12.513 ( -1.141 0.084 2.118) 2.407 12.656 ( -2.101 2.676 -10.090) 10.648 12.656 ( -2.101 2.676 10.090) 10.648 13.037 ( 6.627 2.208 -9.156) 11.517 13.037 ( 6.627 2.208 9.156) 11.517 13.661 ( 7.813 3.572 -3.809) 9.398 13.661 ( 7.813 3.572 3.809) 9.398 13.749 ( -0.818 2.987 -1.897) 3.632 13.749 ( -0.818 2.987 1.897) 3.632 14.208 ( 5.003 -0.351 -6.510) 8.218 14.208 ( 5.003 -0.351 6.510) 8.218 14.815 ( -11.442 -12.009 -11.625) 20.255 14.815 ( -11.442 -12.009 11.625) 20.255 15.883 ( -2.732 -1.174 -3.156) 4.336 15.883 ( -2.732 -1.174 3.156) 4.336 ======================= Grid point 176 (54/75) ======================= q-point: ( 0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 3.829 -1.720 -4.509) 6.161 1.075 ( 3.829 -1.720 4.509) 6.161 1.147 ( 1.381 1.036 -3.580) 3.975 1.147 ( 1.381 1.036 3.580) 3.975 1.289 ( 10.518 -4.871 -5.820) 12.971 1.289 ( 10.518 -4.871 5.820) 12.971 1.548 ( 6.889 -1.959 -5.610) 9.098 1.548 ( 6.889 -1.959 5.610) 9.098 1.761 ( 1.759 0.309 -1.947) 2.642 1.761 ( 1.759 0.309 1.947) 2.642 1.833 ( -0.002 -0.281 -1.146) 1.180 1.833 ( -0.002 -0.281 1.146) 1.180 1.877 ( -2.256 1.269 -1.161) 2.837 1.877 ( -2.256 1.269 1.161) 2.837 1.986 ( -2.414 3.514 -1.994) 4.706 1.986 ( -2.414 3.514 1.994) 4.706 2.003 ( -5.786 1.054 -3.292) 6.740 2.003 ( -5.786 1.054 3.292) 6.740 2.099 ( 1.824 -1.812 -1.023) 2.767 2.099 ( 1.824 -1.812 1.023) 2.767 2.249 ( 0.059 -2.529 -0.358) 2.555 2.249 ( 0.059 -2.529 0.358) 2.555 2.331 ( 9.504 -3.573 -5.861) 11.724 2.331 ( 9.504 -3.573 5.861) 11.724 2.488 ( 0.976 -2.163 -4.388) 4.989 2.488 ( 0.976 -2.163 4.388) 4.989 2.793 ( 1.832 2.912 -3.373) 4.818 2.793 ( 1.832 2.912 3.373) 4.818 3.151 ( -1.269 -0.866 -3.786) 4.086 3.151 ( -1.269 -0.866 3.786) 4.086 3.327 ( 1.729 1.838 -4.880) 5.494 3.327 ( 1.729 1.838 4.880) 5.494 3.429 ( -4.319 -0.586 -7.761) 8.901 3.429 ( -4.319 -0.586 7.761) 8.901 3.665 ( 11.435 -0.214 -0.797) 11.464 3.665 ( 11.435 -0.214 0.797) 11.464 4.016 ( 6.554 1.189 -10.789) 12.680 4.016 ( 6.554 1.189 10.789) 12.680 4.224 ( 2.287 2.840 -5.909) 6.944 4.224 ( 2.287 2.840 5.909) 6.944 4.448 ( 1.283 1.315 -7.858) 8.070 4.448 ( 1.283 1.315 7.858) 8.070 4.545 ( -0.370 -0.504 -11.105) 11.122 4.545 ( -0.370 -0.504 11.105) 11.122 4.882 ( 0.717 0.581 -6.966) 7.027 4.882 ( 0.717 0.581 6.966) 7.027 5.106 ( 2.945 -1.324 -6.839) 7.563 5.106 ( 2.945 -1.324 6.839) 7.563 5.505 ( 5.916 0.072 -16.207) 17.253 5.505 ( 5.916 0.072 16.207) 17.253 6.023 ( -8.188 -2.060 -13.962) 16.317 6.023 ( -8.188 -2.060 13.962) 16.317 6.142 ( -5.456 0.670 -8.518) 10.138 6.142 ( -5.456 0.670 8.518) 10.138 6.584 ( 1.875 -0.984 -1.805) 2.782 6.584 ( 1.875 -0.984 1.805) 2.782 6.925 ( 0.707 -0.580 -2.805) 2.951 6.925 ( 0.707 -0.580 2.805) 2.951 7.325 ( 3.166 -0.732 -3.411) 4.711 7.325 ( 3.166 -0.732 3.411) 4.711 7.553 ( -0.431 1.608 -3.653) 4.014 7.553 ( -0.431 1.608 3.653) 4.014 7.729 ( -0.175 1.022 -3.487) 3.638 7.729 ( -0.175 1.022 3.487) 3.638 7.901 ( 2.519 -0.172 -9.822) 10.141 7.901 ( 2.519 -0.172 9.822) 10.141 8.126 ( 2.690 -0.181 -2.682) 3.803 8.126 ( 2.690 -0.181 2.682) 3.803 8.464 ( -2.211 4.546 -4.083) 6.498 8.464 ( -2.211 4.546 4.083) 6.498 8.834 ( -0.085 0.282 -3.014) 3.029 8.834 ( -0.085 0.282 3.014) 3.029 9.117 ( 0.286 0.490 -0.608) 0.832 9.117 ( 0.286 0.490 0.608) 0.832 9.247 ( 2.289 -0.629 -4.049) 4.694 9.247 ( 2.289 -0.629 4.049) 4.694 9.597 ( -0.368 -1.965 -5.006) 5.391 9.597 ( -0.368 -1.965 5.006) 5.391 10.077 ( 0.151 0.014 -1.649) 1.656 10.077 ( 0.151 0.014 1.649) 1.656 10.871 ( -3.337 1.937 -2.549) 4.624 10.871 ( -3.337 1.937 2.549) 4.624 11.121 ( 0.749 0.346 -0.822) 1.164 11.121 ( 0.749 0.346 0.822) 1.164 11.762 ( 0.673 -1.866 -3.434) 3.966 11.762 ( 0.673 -1.866 3.434) 3.966 12.484 ( -1.670 0.369 -3.712) 4.087 12.484 ( -1.670 0.369 3.712) 4.087 12.612 ( -0.708 1.707 -3.968) 4.377 12.612 ( -0.708 1.707 3.968) 4.377 13.128 ( 4.318 1.471 -9.149) 10.224 13.128 ( 4.318 1.471 9.149) 10.224 13.709 ( 1.573 4.618 -0.635) 4.919 13.709 ( 1.573 4.618 0.635) 4.919 13.746 ( 0.978 -1.784 -0.940) 2.242 13.746 ( 0.978 -1.784 0.940) 2.242 14.307 ( 6.303 1.598 -6.727) 9.356 14.307 ( 6.303 1.598 6.727) 9.356 14.678 ( -11.467 -7.836 -12.079) 18.407 14.678 ( -11.467 -7.836 12.079) 18.407 15.843 ( -2.279 -0.898 -2.116) 3.237 15.843 ( -2.279 -0.898 2.116) 3.237 ======================= Grid point 178 (55/75) ======================= q-point: ( 0.44 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 0.317 -0.077 -1.468) 1.504 1.110 ( 0.317 -0.077 1.468) 1.504 1.161 ( 0.645 0.033 -1.009) 1.198 1.161 ( 0.645 0.033 1.009) 1.198 1.528 ( 11.117 -2.923 -4.338) 12.286 1.528 ( 11.117 -2.923 4.338) 12.286 1.687 ( 3.146 -1.412 -2.647) 4.347 1.687 ( 3.146 -1.412 2.647) 4.347 1.740 ( -2.176 0.933 -0.472) 2.414 1.740 ( -2.176 0.933 0.472) 2.414 1.824 ( -2.869 -0.520 -1.943) 3.504 1.824 ( -2.869 -0.520 1.943) 3.504 1.831 ( -0.066 0.422 -1.300) 1.369 1.831 ( -0.066 0.422 1.300) 1.369 1.882 ( -4.050 -0.684 -1.862) 4.509 1.882 ( -4.050 -0.684 1.862) 4.509 1.913 ( -2.253 4.134 -1.131) 4.842 1.913 ( -2.253 4.134 1.131) 4.842 2.133 ( 0.695 -0.799 -0.513) 1.177 2.133 ( 0.695 -0.799 0.513) 1.177 2.252 ( -0.404 -1.059 -0.246) 1.160 2.252 ( -0.404 -1.059 0.246) 1.160 2.494 ( 3.096 -0.818 -0.948) 3.340 2.494 ( 3.096 -0.818 0.948) 3.340 2.547 ( 3.199 -2.078 -1.040) 3.954 2.547 ( 3.199 -2.078 1.040) 3.954 2.814 ( 2.053 1.525 -2.525) 3.594 2.814 ( 2.053 1.525 2.525) 3.594 3.099 ( -3.361 -0.492 -1.668) 3.784 3.099 ( -3.361 -0.492 1.668) 3.784 3.349 ( 1.369 0.307 -2.812) 3.143 3.349 ( 1.369 0.307 2.812) 3.143 3.379 ( -1.486 0.049 -3.593) 3.888 3.379 ( -1.486 0.049 3.593) 3.888 3.800 ( 3.238 -0.116 -0.251) 3.250 3.800 ( 3.238 -0.116 0.251) 3.250 4.093 ( 1.678 0.281 -5.078) 5.355 4.093 ( 1.678 0.281 5.078) 5.355 4.259 ( 2.742 1.287 -4.769) 5.649 4.259 ( 2.742 1.287 4.769) 5.649 4.455 ( 0.268 0.611 -3.621) 3.682 4.455 ( 0.268 0.611 3.621) 3.682 4.610 ( 7.282 0.332 -7.210) 10.253 4.610 ( 7.282 0.332 7.210) 10.253 4.808 ( -7.171 0.556 -6.961) 10.010 4.808 ( -7.171 0.556 6.961) 10.010 5.176 ( 2.471 -0.982 -4.214) 4.982 5.176 ( 2.471 -0.982 4.214) 4.982 5.586 ( 2.812 0.181 -10.076) 10.463 5.586 ( 2.812 0.181 10.076) 10.463 5.881 ( -6.122 -0.949 -7.321) 9.590 5.881 ( -6.122 -0.949 7.321) 9.590 6.091 ( -0.882 0.306 -2.693) 2.850 6.091 ( -0.882 0.306 2.693) 2.850 6.611 ( 0.552 -0.378 -0.688) 0.960 6.611 ( 0.552 -0.378 0.688) 0.960 6.930 ( -0.158 -0.225 -1.001) 1.038 6.930 ( -0.158 -0.225 1.001) 1.038 7.400 ( 3.671 -1.196 -1.227) 4.052 7.400 ( 3.671 -1.196 1.227) 4.052 7.502 ( -2.952 1.824 -2.419) 4.230 7.502 ( -2.952 1.824 2.419) 4.230 7.719 ( -0.189 -0.115 -0.231) 0.320 7.719 ( -0.189 -0.115 0.231) 0.320 7.961 ( 2.413 -0.174 -3.756) 4.468 7.961 ( 2.413 -0.174 3.756) 4.468 8.158 ( 0.818 0.208 -0.977) 1.290 8.158 ( 0.818 0.208 0.977) 1.290 8.408 ( -0.977 1.593 -1.524) 2.412 8.408 ( -0.977 1.593 1.524) 2.412 8.826 ( -0.336 -0.009 -1.090) 1.140 8.826 ( -0.336 -0.009 1.090) 1.140 9.103 ( -0.723 0.301 -0.960) 1.238 9.103 ( -0.723 0.301 0.960) 1.238 9.298 ( 1.882 -0.256 -1.128) 2.209 9.298 ( 1.882 -0.256 1.128) 2.209 9.599 ( -0.341 -0.485 -2.401) 2.473 9.599 ( -0.341 -0.485 2.401) 2.473 10.101 ( 1.215 -0.365 -0.840) 1.521 10.101 ( 1.215 -0.365 0.840) 1.521 10.810 ( -1.745 0.696 -0.784) 2.036 10.810 ( -1.745 0.696 0.784) 2.036 11.129 ( 0.278 0.174 -0.146) 0.359 11.129 ( 0.278 0.174 0.146) 0.359 11.786 ( 0.552 -0.750 -1.359) 1.648 11.786 ( 0.552 -0.750 1.359) 1.648 12.456 ( -0.812 0.238 -1.830) 2.016 12.456 ( -0.812 0.238 1.830) 2.016 12.599 ( 0.002 0.508 -0.774) 0.926 12.599 ( 0.002 0.508 0.774) 0.926 13.168 ( 1.195 0.598 -3.960) 4.179 13.168 ( 1.195 0.598 3.960) 4.179 13.707 ( 0.727 1.384 -0.239) 1.582 13.707 ( 0.727 1.384 0.239) 1.582 13.764 ( -0.021 -0.855 -0.525) 1.003 13.764 ( -0.021 -0.855 0.525) 1.003 14.412 ( 7.253 3.226 -8.623) 11.721 14.412 ( 7.253 3.226 8.623) 11.721 14.535 ( -9.231 -4.894 -10.721) 14.970 14.535 ( -9.231 -4.894 10.721) 14.970 15.819 ( -0.872 -0.340 -0.735) 1.190 15.819 ( -0.872 -0.340 0.735) 1.190 ======================= Grid point 190 (56/75) ======================= q-point: ( 0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( 11.792 -0.000 -1.732) 11.918 0.887 ( 11.792 -0.000 1.732) 11.918 1.009 ( 8.955 -0.000 -1.257) 9.043 1.009 ( 8.955 -0.000 1.257) 9.043 1.189 ( -0.904 0.000 -2.822) 2.963 1.189 ( -0.904 0.000 2.822) 2.963 1.428 ( 4.201 -0.000 -4.862) 6.425 1.428 ( 4.201 -0.000 4.862) 6.425 1.712 ( 5.699 -0.000 -6.218) 8.435 1.712 ( 5.699 -0.000 6.218) 8.435 1.756 ( 7.232 -0.000 -8.273) 10.988 1.756 ( 7.232 -0.000 8.273) 10.988 1.857 ( 4.235 -0.000 -2.096) 4.726 1.857 ( 4.235 -0.000 2.096) 4.726 1.986 ( 4.455 -0.000 -4.534) 6.356 1.986 ( 4.455 -0.000 4.534) 6.356 2.093 ( 0.143 -0.000 -1.486) 1.493 2.093 ( 0.143 -0.000 1.486) 1.493 2.106 ( -4.535 0.000 -3.373) 5.652 2.106 ( -4.535 0.000 3.373) 5.652 2.178 ( -2.743 0.000 -1.683) 3.218 2.178 ( -2.743 0.000 1.683) 3.218 2.255 ( -2.666 0.000 -2.459) 3.627 2.255 ( -2.666 0.000 2.459) 3.627 2.487 ( -3.739 0.000 -5.018) 6.258 2.487 ( -3.739 0.000 5.018) 6.258 2.822 ( -0.264 0.000 -2.864) 2.876 2.822 ( -0.264 0.000 2.864) 2.876 3.116 ( 3.003 -0.000 -3.707) 4.771 3.116 ( 3.003 -0.000 3.707) 4.771 3.308 ( 9.925 -0.000 -0.688) 9.949 3.308 ( 9.925 -0.000 0.688) 9.949 3.439 ( 6.109 -0.000 -1.897) 6.397 3.439 ( 6.109 -0.000 1.897) 6.397 3.520 ( -6.987 0.000 -10.203) 12.366 3.520 ( -6.987 0.000 10.203) 12.366 3.921 ( 6.190 -0.000 -11.259) 12.849 3.921 ( 6.190 -0.000 11.259) 12.849 4.222 ( 2.838 -0.000 -2.525) 3.799 4.222 ( 2.838 -0.000 2.525) 3.799 4.419 ( 3.767 -0.000 -1.271) 3.976 4.419 ( 3.767 -0.000 1.271) 3.976 4.585 ( -4.444 0.000 -0.860) 4.526 4.585 ( -4.444 0.000 0.860) 4.526 4.807 ( 5.933 -0.000 -1.055) 6.026 4.807 ( 5.933 -0.000 1.055) 6.026 5.047 ( 2.035 -0.000 -0.123) 2.039 5.047 ( 2.035 -0.000 0.123) 2.039 5.377 ( 8.309 -0.000 -14.189) 16.442 5.377 ( 8.309 -0.000 14.189) 16.442 6.100 ( -4.016 0.000 -7.768) 8.745 6.100 ( -4.016 0.000 7.768) 8.745 6.300 ( -9.903 0.000 -2.927) 10.326 6.300 ( -9.903 0.000 2.927) 10.326 6.516 ( 3.761 -0.000 -0.807) 3.847 6.516 ( 3.761 -0.000 0.807) 3.847 6.883 ( 2.940 -0.000 -3.603) 4.650 6.883 ( 2.940 -0.000 3.603) 4.650 7.285 ( 0.564 -0.000 -4.775) 4.808 7.285 ( 0.564 -0.000 4.775) 4.808 7.543 ( 2.360 -0.000 -2.450) 3.402 7.543 ( 2.360 -0.000 2.450) 3.402 7.723 ( 3.444 -0.000 -1.087) 3.612 7.723 ( 3.444 -0.000 1.087) 3.612 7.903 ( -1.102 0.000 -1.861) 2.163 7.903 ( -1.102 0.000 1.861) 2.163 8.079 ( 0.615 -0.000 -8.139) 8.162 8.079 ( 0.615 -0.000 8.139) 8.162 8.564 ( 1.843 -0.000 -9.339) 9.519 8.564 ( 1.843 -0.000 9.339) 9.519 8.849 ( -1.050 0.000 -6.331) 6.417 8.849 ( -1.050 0.000 6.331) 6.417 9.083 ( 2.537 -0.000 -1.763) 3.090 9.083 ( 2.537 -0.000 1.763) 3.090 9.218 ( 0.676 -0.000 -7.881) 7.910 9.218 ( 0.676 -0.000 7.881) 7.910 9.582 ( -3.050 0.000 -6.729) 7.388 9.582 ( -3.050 0.000 6.729) 7.388 10.145 ( -7.765 0.000 -0.877) 7.815 10.145 ( -7.765 0.000 0.877) 7.815 10.968 ( -2.046 0.000 -4.026) 4.516 10.968 ( -2.046 0.000 4.026) 4.516 11.114 ( -0.542 0.000 -3.410) 3.453 11.114 ( -0.542 0.000 3.410) 3.453 11.723 ( -0.117 0.000 -4.100) 4.102 11.723 ( -0.117 0.000 4.100) 4.102 12.513 ( -1.118 0.000 -1.461) 1.840 12.513 ( -1.118 0.000 1.461) 1.840 12.679 ( -2.455 0.000 -12.581) 12.819 12.679 ( -2.455 0.000 12.581) 12.819 13.056 ( 5.805 -0.000 -9.201) 10.879 13.056 ( 5.805 -0.000 9.201) 10.879 13.680 ( 5.298 -0.000 -2.429) 5.829 13.680 ( 5.298 -0.000 2.429) 5.829 13.797 ( -0.272 0.000 -0.180) 0.326 13.797 ( -0.272 0.000 0.180) 0.326 14.211 ( 6.405 -0.000 -2.215) 6.777 14.211 ( 6.405 -0.000 2.215) 6.777 14.696 ( -8.783 0.000 -9.718) 13.099 14.696 ( -8.783 0.000 9.718) 13.099 15.873 ( -2.477 0.000 -3.285) 4.114 15.873 ( -2.477 0.000 3.285) 4.114 ======================= Grid point 192 (57/75) ======================= q-point: ( 0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 5.310 -0.797 -4.971) 7.317 1.054 ( 5.310 -0.797 4.971) 7.317 1.167 ( 0.443 1.321 -3.155) 3.449 1.167 ( 0.443 1.321 3.155) 3.449 1.230 ( 12.631 -2.537 -7.362) 14.839 1.230 ( 12.631 -2.537 7.362) 14.839 1.525 ( 6.626 -0.805 -5.619) 8.725 1.525 ( 6.626 -0.805 5.619) 8.725 1.765 ( 1.933 0.137 -2.134) 2.883 1.765 ( 1.933 0.137 2.134) 2.883 1.828 ( 0.241 -0.216 -0.888) 0.946 1.828 ( 0.241 -0.216 0.888) 0.946 1.890 ( -2.394 0.355 -1.350) 2.771 1.890 ( -2.394 0.355 1.350) 2.771 2.010 ( -6.361 0.349 -3.360) 7.203 2.010 ( -6.361 0.349 3.360) 7.203 2.047 ( 0.282 2.910 -0.495) 2.965 2.047 ( 0.282 2.910 0.495) 2.965 2.081 ( 1.233 -0.480 -1.863) 2.285 2.081 ( 1.233 -0.480 1.863) 2.285 2.210 ( -1.733 -1.947 -0.629) 2.681 2.210 ( -1.733 -1.947 0.629) 2.681 2.285 ( 11.742 -2.010 -7.059) 13.847 2.285 ( 11.742 -2.010 7.059) 13.847 2.463 ( 0.364 -0.901 -2.997) 3.151 2.463 ( 0.364 -0.901 2.997) 3.151 2.830 ( 1.604 1.495 -4.209) 4.746 2.830 ( 1.604 1.495 4.209) 4.746 3.140 ( -1.267 -0.474 -4.624) 4.818 3.140 ( -1.267 -0.474 4.624) 4.818 3.355 ( -0.147 1.456 -3.598) 3.884 3.355 ( -0.147 1.456 3.598) 3.884 3.414 ( -3.421 -0.990 -8.539) 9.252 3.414 ( -3.421 -0.990 8.539) 9.252 3.662 ( 11.676 -0.129 -0.253) 11.680 3.662 ( 11.676 -0.129 0.253) 11.680 4.029 ( 5.652 0.439 -12.552) 13.773 4.029 ( 5.652 0.439 12.552) 13.773 4.254 ( 1.782 1.008 -3.924) 4.426 4.254 ( 1.782 1.008 3.924) 4.426 4.477 ( 2.941 1.988 -8.134) 8.875 4.477 ( 2.941 1.988 8.134) 8.875 4.528 ( -1.173 -1.424 -8.775) 8.967 4.528 ( -1.173 -1.424 8.775) 8.967 4.888 ( 1.261 0.168 -6.390) 6.516 4.888 ( 1.261 0.168 6.390) 6.516 5.088 ( 2.604 -0.741 -5.452) 6.087 5.088 ( 2.604 -0.741 5.452) 6.087 5.508 ( 6.047 0.169 -15.573) 16.706 5.508 ( 6.047 0.169 15.573) 16.706 5.999 ( -8.033 -0.907 -14.145) 16.292 5.999 ( -8.033 -0.907 14.145) 16.292 6.151 ( -5.212 0.354 -8.134) 9.667 6.151 ( -5.212 0.354 8.134) 9.667 6.572 ( 2.182 -0.443 -0.833) 2.377 6.572 ( 2.182 -0.443 0.833) 2.377 6.919 ( 0.944 -0.188 -3.752) 3.874 6.919 ( 0.944 -0.188 3.752) 3.874 7.318 ( 2.930 -0.193 -3.474) 4.549 7.318 ( 2.930 -0.193 3.474) 4.549 7.570 ( 0.291 0.553 -2.967) 3.032 7.570 ( 0.291 0.553 2.967) 3.032 7.742 ( -1.826 0.482 -4.345) 4.738 7.742 ( -1.826 0.482 4.345) 4.738 7.898 ( 2.457 -0.137 -10.000) 10.298 7.898 ( 2.457 -0.137 10.000) 10.298 8.125 ( 3.171 -0.038 -3.896) 5.024 8.125 ( 3.171 -0.038 3.896) 5.024 8.523 ( -3.802 2.451 -5.785) 7.343 8.523 ( -3.802 2.451 5.785) 7.343 8.834 ( -0.836 -0.178 -4.184) 4.270 8.834 ( -0.836 -0.178 4.184) 4.270 9.121 ( 0.469 0.094 -1.035) 1.140 9.121 ( 0.469 0.094 1.035) 1.140 9.238 ( 2.309 -0.385 -4.924) 5.452 9.238 ( 2.309 -0.385 4.924) 5.452 9.573 ( 0.850 -0.953 -6.274) 6.403 9.573 ( 0.850 -0.953 6.274) 6.403 10.075 ( -0.865 -0.163 -0.957) 1.301 10.075 ( -0.865 -0.163 0.957) 1.301 10.895 ( -4.296 0.958 -2.994) 5.323 10.895 ( -4.296 0.958 2.994) 5.323 11.125 ( 0.820 0.128 -1.563) 1.770 11.125 ( 0.820 0.128 1.563) 1.770 11.737 ( 1.023 -1.060 -3.255) 3.573 11.737 ( 1.023 -1.060 3.255) 3.573 12.487 ( -1.638 0.039 -3.287) 3.673 12.487 ( -1.638 0.039 3.287) 3.673 12.636 ( -1.491 1.052 -7.486) 7.705 12.636 ( -1.491 1.052 7.486) 7.705 13.148 ( 4.097 0.812 -10.293) 11.108 13.148 ( 4.097 0.812 10.293) 11.108 13.715 ( -0.769 -0.693 -0.081) 1.038 13.715 ( -0.769 -0.693 0.081) 1.038 13.797 ( 2.444 3.877 -2.576) 5.257 13.797 ( 2.444 3.877 2.576) 5.257 14.329 ( 6.833 1.267 -5.741) 9.014 14.329 ( 6.833 1.267 5.741) 9.014 14.558 ( -9.347 -5.908 -13.817) 17.697 14.558 ( -9.347 -5.908 13.817) 17.697 15.833 ( -1.906 -0.364 -2.600) 3.245 15.833 ( -1.906 -0.364 2.600) 3.245 ======================= Grid point 194 (58/75) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 1.192 0.185 -3.189) 3.410 1.112 ( 1.192 0.185 3.189) 3.410 1.159 ( -0.143 -0.174 -1.714) 1.729 1.159 ( -0.143 -0.174 1.714) 1.729 1.492 ( 12.993 -1.572 -6.260) 14.508 1.492 ( 12.993 -1.572 6.260) 14.508 1.667 ( 6.636 -1.011 -3.622) 7.628 1.667 ( 6.636 -1.011 3.622) 7.628 1.753 ( -4.639 0.696 -0.726) 4.747 1.753 ( -4.639 0.696 0.726) 4.747 1.808 ( -0.353 -1.096 -1.218) 1.676 1.808 ( -0.353 -1.096 1.218) 1.676 1.839 ( -1.889 0.564 -0.921) 2.176 1.839 ( -1.889 0.564 0.921) 2.176 1.885 ( -5.826 0.577 -2.718) 6.455 1.885 ( -5.826 0.577 2.718) 6.455 1.988 ( -2.373 5.114 -1.778) 5.911 1.988 ( -2.373 5.114 1.778) 5.911 2.119 ( 1.659 -1.117 -0.990) 2.231 2.119 ( 1.659 -1.117 0.990) 2.231 2.219 ( 0.319 -2.777 -1.136) 3.017 2.219 ( 0.319 -2.777 1.136) 3.017 2.479 ( 3.482 -0.677 -1.527) 3.862 2.479 ( 3.482 -0.677 1.527) 3.862 2.514 ( 5.967 -2.068 -2.504) 6.794 2.514 ( 5.967 -2.068 2.504) 6.794 2.843 ( 0.567 1.883 -3.907) 4.374 2.843 ( 0.567 1.883 3.907) 4.374 3.090 ( -2.810 -0.600 -2.614) 3.884 3.090 ( -2.810 -0.600 2.614) 3.884 3.343 ( -0.460 -0.625 -4.861) 4.922 3.343 ( -0.460 -0.625 4.861) 4.922 3.390 ( -0.186 0.875 -2.658) 2.804 3.390 ( -0.186 0.875 2.658) 2.804 3.797 ( 3.263 -0.217 -1.609) 3.644 3.797 ( 3.263 -0.217 1.609) 3.644 4.095 ( 1.169 0.006 -8.971) 9.047 4.095 ( 1.169 0.006 8.971) 9.047 4.280 ( 1.303 1.182 -4.263) 4.612 4.280 ( 1.303 1.182 4.263) 4.612 4.471 ( -0.491 1.314 -3.087) 3.391 4.471 ( -0.491 1.314 3.087) 3.391 4.608 ( 6.874 -0.535 -5.725) 8.962 4.608 ( 6.874 -0.535 5.725) 8.962 4.813 ( -8.063 0.109 -6.178) 10.158 4.813 ( -8.063 0.109 6.178) 10.158 5.162 ( 3.762 -0.719 -4.083) 5.598 5.162 ( 3.762 -0.719 4.083) 5.598 5.591 ( 2.873 0.361 -9.986) 10.397 5.591 ( 2.873 0.361 9.986) 10.397 5.867 ( -4.939 -0.778 -8.421) 9.793 5.867 ( -4.939 -0.778 8.421) 9.793 6.096 ( -1.317 0.298 -4.417) 4.619 6.096 ( -1.317 0.298 4.417) 4.619 6.604 ( 1.014 -0.401 -0.924) 1.429 6.604 ( 1.014 -0.401 0.924) 1.429 6.928 ( 0.229 -0.055 -2.200) 2.212 6.928 ( 0.229 -0.055 2.200) 2.212 7.385 ( 3.540 -0.720 -0.899) 3.722 7.385 ( 3.540 -0.720 0.899) 3.722 7.530 ( -3.317 1.575 -2.391) 4.382 7.530 ( -3.317 1.575 2.391) 4.382 7.715 ( -0.427 -0.374 -0.308) 0.646 7.715 ( -0.427 -0.374 0.308) 0.646 7.952 ( 1.781 -0.738 -2.640) 3.269 7.952 ( 1.781 -0.738 2.640) 3.269 8.170 ( 1.815 0.897 -5.366) 5.735 8.170 ( 1.815 0.897 5.366) 5.735 8.434 ( -3.491 1.648 -2.585) 4.646 8.434 ( -3.491 1.648 2.585) 4.646 8.821 ( -0.658 -0.558 -2.785) 2.915 8.821 ( -0.658 -0.558 2.785) 2.915 9.107 ( -0.989 0.275 -2.464) 2.670 9.107 ( -0.989 0.275 2.464) 2.670 9.290 ( 1.892 -0.638 -2.758) 3.405 9.290 ( 1.892 -0.638 2.758) 3.405 9.595 ( 0.874 -0.101 -4.901) 4.979 9.595 ( 0.874 -0.101 4.901) 4.979 10.088 ( 0.900 -1.055 -1.362) 1.944 10.088 ( 0.900 -1.055 1.362) 1.944 10.822 ( -2.563 0.750 -0.804) 2.789 10.822 ( -2.563 0.750 0.804) 2.789 11.132 ( 0.144 0.241 -1.303) 1.333 11.132 ( 0.144 0.241 1.303) 1.333 11.767 ( 0.976 -1.396 -1.492) 2.264 11.767 ( 0.976 -1.396 1.492) 2.264 12.460 ( -1.017 0.133 -3.212) 3.371 12.460 ( -1.017 0.133 3.212) 3.371 12.611 ( -0.603 0.866 -3.375) 3.536 12.611 ( -0.603 0.866 3.375) 3.536 13.186 ( 1.115 1.326 -6.920) 7.134 13.186 ( 1.115 1.326 6.920) 7.134 13.696 ( -1.711 -1.155 -0.925) 2.262 13.696 ( -1.711 -1.155 0.925) 2.262 13.821 ( 3.867 5.739 -2.377) 7.317 13.821 ( 3.867 5.739 2.377) 7.317 14.414 ( -3.690 -4.287 -12.423) 13.650 14.414 ( -3.690 -4.287 12.423) 13.650 14.470 ( 1.752 -1.301 -8.908) 9.171 14.470 ( 1.752 -1.301 8.908) 9.171 15.814 ( -0.389 -0.240 -1.473) 1.542 15.814 ( -0.389 -0.240 1.473) 1.542 ======================= Grid point 196 (59/75) ======================= q-point: (-0.56 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( 0.023 0.580 -0.326) 0.665 1.115 ( 0.023 0.580 0.326) 0.665 1.157 ( -0.788 -0.492 -0.428) 1.023 1.157 ( -0.788 -0.492 0.428) 1.023 1.578 ( -8.557 3.481 -2.089) 9.471 1.578 ( -8.557 3.481 2.089) 9.471 1.698 ( 4.803 -0.419 -3.620) 6.029 1.698 ( 4.803 -0.419 3.620) 6.029 1.731 ( -3.988 0.164 -2.496) 4.707 1.731 ( -3.988 0.164 2.496) 4.707 1.805 ( -0.522 -2.704 -1.065) 2.952 1.805 ( -0.522 -2.704 1.065) 2.952 1.831 ( 3.529 0.485 -1.700) 3.947 1.831 ( 3.529 0.485 1.700) 3.947 1.872 ( 3.843 -1.091 -1.282) 4.196 1.872 ( 3.843 -1.091 1.282) 4.196 1.918 ( -0.454 3.449 -1.866) 3.948 1.918 ( -0.454 3.449 1.866) 3.948 2.145 ( 0.735 0.685 -1.033) 1.441 2.145 ( 0.735 0.685 1.033) 1.441 2.249 ( 1.034 -1.330 -1.255) 2.101 2.249 ( 1.034 -1.330 1.255) 2.101 2.495 ( -1.909 -0.656 -1.404) 2.459 2.495 ( -1.909 -0.656 1.404) 2.459 2.577 ( -0.483 1.637 -1.269) 2.127 2.577 ( -0.483 1.637 1.269) 2.127 2.803 ( -3.573 -0.044 -1.400) 3.837 2.803 ( -3.573 -0.044 1.400) 3.837 3.105 ( 3.866 0.236 -3.827) 5.445 3.105 ( 3.866 0.236 3.827) 5.445 3.336 ( -1.449 -1.052 -2.348) 2.952 3.336 ( -1.449 -1.052 2.348) 2.952 3.387 ( 0.853 0.665 -2.518) 2.741 3.387 ( 0.853 0.665 2.518) 2.741 3.800 ( -3.229 -0.140 -1.502) 3.564 3.800 ( -3.229 -0.140 1.502) 3.564 4.086 ( -2.095 -0.521 -4.548) 5.034 4.086 ( -2.095 -0.521 4.548) 5.034 4.245 ( -5.204 -0.547 -8.851) 10.282 4.245 ( -5.204 -0.547 8.851) 10.282 4.455 ( -0.608 0.615 -3.699) 3.798 4.455 ( -0.608 0.615 3.699) 3.798 4.598 ( -7.249 -1.129 -6.876) 10.055 4.598 ( -7.249 -1.129 6.876) 10.055 4.796 ( 5.866 -0.893 -6.908) 9.107 4.796 ( 5.866 -0.893 6.908) 9.107 5.190 ( -1.276 0.766 -4.262) 4.514 5.190 ( -1.276 0.766 4.262) 4.514 5.586 ( -2.833 0.152 -10.212) 10.599 5.586 ( -2.833 0.152 10.212) 10.599 5.894 ( 7.568 0.650 -5.855) 9.590 5.894 ( 7.568 0.650 5.855) 9.590 6.087 ( 0.377 -0.200 -1.795) 1.845 6.087 ( 0.377 -0.200 1.795) 1.845 6.615 ( 0.005 0.156 -2.214) 2.220 6.615 ( 0.005 0.156 2.214) 2.220 6.935 ( 0.605 0.339 -0.590) 0.910 6.935 ( 0.605 0.339 0.590) 0.910 7.415 ( -2.663 0.473 -2.156) 3.459 7.415 ( -2.663 0.473 2.156) 3.459 7.483 ( 1.254 -0.366 -1.098) 1.706 7.483 ( 1.254 -0.366 1.098) 1.706 7.717 ( 0.037 -0.340 -0.379) 0.510 7.717 ( 0.037 -0.340 0.379) 0.510 7.953 ( -2.454 -1.043 -5.580) 6.184 7.953 ( -2.454 -1.043 5.580) 6.184 8.171 ( -0.521 1.687 -5.074) 5.372 8.171 ( -0.521 1.687 5.074) 5.372 8.386 ( -1.542 -1.319 -3.529) 4.071 8.386 ( -1.542 -1.319 3.529) 4.071 8.822 ( 0.214 -0.491 -1.826) 1.902 8.822 ( 0.214 -0.491 1.826) 1.902 9.099 ( 0.172 -0.210 -1.109) 1.142 9.099 ( 0.172 -0.210 1.109) 1.142 9.296 ( -1.749 -0.474 -0.891) 2.019 9.296 ( -1.749 -0.474 0.891) 2.019 9.611 ( 1.318 0.893 -0.737) 1.755 9.611 ( 1.318 0.893 0.737) 1.755 10.095 ( -1.289 -1.001 -2.079) 2.643 10.095 ( -1.289 -1.001 2.079) 2.643 10.803 ( 0.857 -0.125 -1.044) 1.356 10.803 ( 0.857 -0.125 1.044) 1.356 11.127 ( -0.501 0.029 -1.149) 1.254 11.127 ( -0.501 0.029 1.149) 1.254 11.785 ( 0.016 -0.776 -1.188) 1.419 11.785 ( 0.016 -0.776 1.188) 1.419 12.454 ( 0.480 -0.079 -0.518) 0.710 12.454 ( 0.480 -0.079 0.518) 0.710 12.597 ( -0.533 0.168 -1.383) 1.492 12.597 ( -0.533 0.168 1.383) 1.492 13.173 ( -1.433 1.109 -0.429) 1.862 13.173 ( -1.433 1.109 0.429) 1.862 13.674 ( -2.004 -1.794 -0.748) 2.792 13.674 ( -2.004 -1.794 0.748) 2.792 13.835 ( 2.620 7.054 -0.922) 7.581 13.835 ( 2.620 7.054 0.922) 7.581 14.332 ( -7.064 -6.936 -8.282) 12.908 14.332 ( -7.064 -6.936 8.282) 12.908 14.589 ( 9.352 2.133 -10.115) 13.940 14.589 ( 9.352 2.133 10.115) 13.940 15.824 ( 1.425 0.277 -0.163) 1.460 15.824 ( 1.425 0.277 0.163) 1.460 ======================= Grid point 198 (60/75) ======================= q-point: (-0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( -1.746 1.494 -3.373) 4.081 1.101 ( -1.746 1.494 3.373) 4.081 1.135 ( -1.402 -0.491 -3.159) 3.491 1.135 ( -1.402 -0.491 3.159) 3.491 1.377 ( -8.772 6.337 -4.154) 11.592 1.377 ( -8.772 6.337 4.154) 11.592 1.580 ( -7.243 2.100 -5.417) 9.285 1.580 ( -7.243 2.100 5.417) 9.285 1.751 ( -1.468 -1.384 -0.942) 2.227 1.751 ( -1.468 -1.384 0.942) 2.227 1.823 ( -0.130 -1.933 -1.439) 2.413 1.823 ( -0.130 -1.933 1.439) 2.413 1.863 ( 0.916 -0.031 -1.066) 1.406 1.863 ( 0.916 -0.031 1.066) 1.406 1.951 ( 4.160 -0.590 -2.227) 4.755 1.951 ( 4.160 -0.590 2.227) 4.755 1.988 ( 5.646 -0.839 -3.985) 6.962 1.988 ( 5.646 -0.839 3.985) 6.962 2.134 ( -0.586 2.556 -1.194) 2.882 2.134 ( -0.586 2.556 1.194) 2.882 2.273 ( 0.861 0.429 -1.114) 1.471 2.273 ( 0.861 0.429 1.114) 1.471 2.386 ( -8.399 3.095 -3.655) 9.668 2.386 ( -8.399 3.095 3.655) 9.668 2.522 ( -2.151 2.156 -4.468) 5.407 2.522 ( -2.151 2.156 4.468) 5.407 2.754 ( -2.062 -1.714 -1.956) 3.319 2.754 ( -2.062 -1.714 1.956) 3.319 3.164 ( 1.482 0.810 -2.816) 3.283 3.164 ( 1.482 0.810 2.816) 3.283 3.303 ( -2.702 -1.079 -4.182) 5.095 3.303 ( -2.702 -1.079 4.182) 5.095 3.429 ( 3.718 -0.521 -5.870) 6.968 3.429 ( 3.718 -0.521 5.870) 6.968 3.665 ( -11.264 -0.249 -1.852) 11.418 3.665 ( -11.264 -0.249 1.852) 11.418 3.996 ( -7.856 -1.273 -7.928) 11.233 3.996 ( -7.856 -1.273 7.928) 11.233 4.173 ( -2.885 -3.427 -7.458) 8.700 4.173 ( -2.885 -3.427 7.458) 8.700 4.440 ( -0.509 0.134 -7.279) 7.298 4.440 ( -0.509 0.134 7.279) 7.298 4.545 ( 0.325 -0.341 -10.922) 10.932 4.545 ( 0.325 -0.341 10.922) 10.932 4.870 ( 0.353 -1.032 -8.045) 8.118 4.870 ( 0.353 -1.032 8.045) 8.118 5.124 ( -3.972 0.899 -8.480) 9.407 5.124 ( -3.972 0.899 8.480) 9.407 5.508 ( -5.476 0.355 -16.611) 17.493 5.508 ( -5.476 0.355 16.611) 17.493 6.055 ( 7.538 1.939 -13.286) 15.398 6.055 ( 7.538 1.939 13.286) 15.398 6.133 ( 6.649 -0.468 -9.038) 11.230 6.133 ( 6.649 -0.468 9.038) 11.230 6.600 ( -1.236 1.018 -2.781) 3.209 6.600 ( -1.236 1.018 2.781) 3.209 6.937 ( -0.317 0.846 -1.407) 1.672 6.937 ( -0.317 0.846 1.407) 1.672 7.340 ( -3.396 1.205 -3.519) 5.037 7.340 ( -3.396 1.205 3.519) 5.037 7.524 ( 0.908 -1.957 -4.381) 4.883 7.524 ( 0.908 -1.957 4.381) 4.883 7.713 ( -1.598 -1.079 -2.180) 2.910 7.713 ( -1.598 -1.079 2.180) 2.910 7.901 ( -2.376 -0.203 -10.120) 10.398 7.901 ( -2.376 -0.203 10.120) 10.398 8.133 ( -2.411 0.872 -1.847) 3.160 8.133 ( -2.411 0.872 1.847) 3.160 8.396 ( 0.152 -4.181 -4.168) 5.906 8.396 ( 0.152 -4.181 4.168) 5.906 8.827 ( -0.378 -0.356 -2.916) 2.962 8.827 ( -0.378 -0.356 2.916) 2.962 9.105 ( -0.777 -1.153 -1.144) 1.800 9.105 ( -0.777 -1.153 1.144) 1.800 9.253 ( -1.961 0.218 -3.069) 3.649 9.253 ( -1.961 0.218 3.069) 3.649 9.628 ( 1.614 1.934 -2.975) 3.898 9.628 ( 1.614 1.934 2.975) 3.898 10.071 ( -1.259 -0.907 -3.326) 3.670 10.071 ( -1.259 -0.907 3.326) 3.670 10.844 ( 2.336 -1.420 -2.049) 3.416 10.844 ( 2.336 -1.420 2.049) 3.416 11.115 ( -0.948 -0.396 -0.536) 1.159 11.115 ( -0.948 -0.396 0.536) 1.159 11.783 ( -0.078 0.641 -3.604) 3.662 11.783 ( -0.078 0.641 3.604) 3.662 12.476 ( 1.543 -0.519 -2.683) 3.138 12.476 ( 1.543 -0.519 2.683) 3.138 12.592 ( -0.083 -0.799 -0.607) 1.007 12.592 ( -0.083 -0.799 0.607) 1.007 13.114 ( -4.845 -0.125 -6.936) 8.461 13.114 ( -4.845 -0.125 6.936) 8.461 13.649 ( -2.742 -2.711 -0.755) 3.929 13.649 ( -2.742 -2.711 0.755) 3.929 13.800 ( -1.307 4.833 -0.734) 5.060 13.800 ( -1.307 4.833 0.734) 5.060 14.272 ( -4.056 -3.163 -5.516) 7.542 14.272 ( -4.056 -3.163 5.516) 7.542 14.771 ( 13.053 4.063 -9.843) 16.846 14.771 ( 13.053 4.063 9.843) 16.846 15.859 ( 2.824 0.981 -1.419) 3.309 15.859 ( 2.824 0.981 1.419) 3.309 ======================= Grid point 200 (61/75) ======================= q-point: (-0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( -7.002 5.171 -3.599) 9.419 0.993 ( -7.002 5.171 3.599) 9.419 1.104 ( -3.659 3.229 -4.537) 6.663 1.104 ( -3.659 3.229 4.537) 6.663 1.204 ( -3.715 3.234 -4.112) 6.416 1.204 ( -3.715 3.234 4.112) 6.416 1.454 ( -4.725 1.235 -5.892) 7.653 1.454 ( -4.725 1.235 5.892) 7.653 1.718 ( -2.548 0.242 -3.647) 4.456 1.718 ( -2.548 0.242 3.647) 4.456 1.817 ( -1.535 -0.034 -1.183) 1.938 1.817 ( -1.535 -0.034 1.183) 1.938 1.875 ( -1.024 -0.710 -1.488) 1.940 1.875 ( -1.024 -0.710 1.488) 1.940 1.953 ( -6.827 3.057 -4.352) 8.654 1.953 ( -6.827 3.057 4.352) 8.654 2.059 ( -0.168 -0.326 -2.059) 2.091 2.059 ( -0.168 -0.326 2.059) 2.091 2.090 ( 2.137 0.005 -3.196) 3.845 2.090 ( 2.137 0.005 3.196) 3.845 2.229 ( 0.002 2.431 -1.541) 2.878 2.229 ( 0.002 2.431 1.541) 2.878 2.317 ( 1.330 1.785 -0.482) 2.277 2.317 ( 1.330 1.785 0.482) 2.277 2.490 ( -0.037 -0.521 -6.935) 6.954 2.490 ( -0.037 -0.521 6.935) 6.954 2.751 ( -0.178 -2.456 -1.124) 2.706 2.751 ( -0.178 -2.456 1.124) 2.706 3.132 ( -3.601 0.761 -3.424) 5.027 3.132 ( -3.601 0.761 3.424) 5.027 3.224 ( -10.379 -2.552 -2.834) 11.057 3.224 ( -10.379 -2.552 2.834) 11.057 3.412 ( -5.094 -1.542 -2.867) 6.046 3.412 ( -5.094 -1.542 2.867) 6.046 3.589 ( 5.709 1.303 -9.067) 10.793 3.589 ( 5.709 1.303 9.067) 10.793 3.878 ( -6.132 -2.171 -6.119) 8.931 3.878 ( -6.132 -2.171 6.119) 8.931 4.157 ( -2.318 -3.268 -3.239) 5.152 4.157 ( -2.318 -3.268 3.239) 5.152 4.429 ( -1.162 0.226 -3.102) 3.320 4.429 ( -1.162 0.226 3.102) 3.320 4.586 ( 3.409 -0.392 -8.536) 9.200 4.586 ( 3.409 -0.392 8.536) 9.200 4.822 ( -4.681 0.960 -2.464) 5.376 4.822 ( -4.681 0.960 2.464) 5.376 5.066 ( -1.900 -0.037 -5.434) 5.757 5.066 ( -1.900 -0.037 5.434) 5.757 5.382 ( -7.665 0.893 -16.446) 18.167 5.382 ( -7.665 0.893 16.446) 18.167 6.122 ( 3.038 0.590 -5.210) 6.060 6.122 ( 3.038 0.590 5.210) 6.060 6.313 ( 10.426 1.111 -1.599) 10.606 6.313 ( 10.426 1.111 1.599) 10.606 6.552 ( -2.501 2.159 -2.893) 4.392 6.552 ( -2.501 2.159 2.893) 4.392 6.899 ( -3.083 0.977 -2.282) 3.958 6.899 ( -3.083 0.977 2.282) 3.958 7.293 ( -0.744 0.778 -4.799) 4.918 7.293 ( -0.744 0.778 4.799) 4.918 7.532 ( -1.258 -0.936 -3.232) 3.592 7.532 ( -1.258 -0.936 3.232) 3.592 7.664 ( -4.518 -2.816 -3.654) 6.457 7.664 ( -4.518 -2.816 3.654) 6.457 7.901 ( 0.777 -0.255 -3.165) 3.269 7.901 ( 0.777 -0.255 3.165) 3.269 8.084 ( -1.390 0.272 -8.120) 8.243 8.084 ( -1.390 0.272 8.120) 8.243 8.442 ( -0.104 -5.705 -4.840) 7.482 8.442 ( -0.104 -5.705 4.840) 7.482 8.798 ( -3.627 -1.613 -6.840) 7.908 8.798 ( -3.627 -1.613 6.840) 7.908 9.084 ( -1.494 -1.032 -2.036) 2.728 9.084 ( -1.494 -1.032 2.036) 2.728 9.234 ( -0.669 0.689 -6.825) 6.892 9.234 ( -0.669 0.689 6.825) 6.892 9.647 ( 3.053 2.901 -5.199) 6.691 9.647 ( 3.053 2.901 5.199) 6.691 10.106 ( 4.837 -2.263 -5.191) 7.448 10.106 ( 4.837 -2.263 5.191) 7.448 10.884 ( -0.706 -3.148 -1.719) 3.656 10.884 ( -0.706 -3.148 1.719) 3.656 11.108 ( 0.133 -0.800 -2.916) 3.026 11.108 ( 0.133 -0.800 2.916) 3.026 11.782 ( 1.292 2.193 -4.734) 5.375 11.782 ( 1.292 2.193 4.734) 5.375 12.508 ( 1.227 -0.508 -3.226) 3.489 12.508 ( 1.227 -0.508 3.226) 3.489 12.614 ( 1.254 -2.371 -4.838) 5.532 12.614 ( 1.254 -2.371 4.838) 5.532 13.001 ( -8.077 -2.035 -8.645) 12.005 13.001 ( -8.077 -2.035 8.645) 12.005 13.589 ( -7.883 -4.029 -2.544) 9.211 13.589 ( -7.883 -4.029 2.544) 9.211 13.742 ( -1.279 1.011 -1.319) 2.097 13.742 ( -1.279 1.011 1.319) 2.097 14.225 ( -1.919 1.607 -7.246) 7.666 14.225 ( -1.919 1.607 7.246) 7.666 14.982 ( 14.552 8.485 -11.056) 20.150 14.982 ( 14.552 8.485 11.056) 20.150 15.906 ( 3.277 1.649 -2.815) 4.624 15.906 ( 3.277 1.649 2.815) 4.624 ======================= Grid point 202 (62/75) ======================= q-point: (-0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( -5.391 8.277 -4.426) 10.824 0.812 ( -5.391 8.277 4.426) 10.824 0.937 ( -8.241 6.872 -7.249) 12.950 0.937 ( -8.241 6.872 7.249) 12.950 1.181 ( -0.541 -1.677 -3.983) 4.355 1.181 ( -0.541 -1.677 3.983) 4.355 1.381 ( -2.698 2.680 -2.394) 4.494 1.381 ( -2.698 2.680 2.394) 4.494 1.627 ( -4.774 5.476 -12.721) 14.650 1.627 ( -4.774 5.476 12.721) 14.650 1.738 ( -1.962 4.313 -6.019) 7.660 1.738 ( -1.962 4.313 6.019) 7.660 1.812 ( -3.204 1.741 -5.073) 6.248 1.812 ( -3.204 1.741 5.073) 6.248 1.872 ( -2.014 -4.116 -3.013) 5.484 1.872 ( -2.014 -4.116 3.013) 5.484 2.065 ( 0.196 -1.332 -0.322) 1.384 2.065 ( 0.196 -1.332 0.322) 1.384 2.163 ( 3.464 -1.616 -3.771) 5.370 2.163 ( 3.464 -1.616 3.771) 5.370 2.237 ( 0.581 0.202 -2.797) 2.864 2.237 ( 0.581 0.202 2.797) 2.864 2.328 ( 1.367 1.912 -3.318) 4.066 2.328 ( 1.367 1.912 3.318) 4.066 2.543 ( 3.640 -5.045 -7.814) 9.988 2.543 ( 3.640 -5.045 7.814) 9.988 2.782 ( 0.971 -3.012 -1.793) 3.637 2.782 ( 0.971 -3.012 1.793) 3.637 2.991 ( -12.660 -2.422 -2.119) 13.062 2.991 ( -12.660 -2.422 2.119) 13.062 3.071 ( -3.583 0.154 -3.004) 4.678 3.071 ( -3.583 0.154 3.004) 4.678 3.410 ( 1.975 -1.373 -3.171) 3.980 3.410 ( 1.975 -1.373 3.171) 3.980 3.659 ( -0.421 -1.042 -6.272) 6.372 3.659 ( -0.421 -1.042 6.272) 6.372 3.839 ( 2.865 1.014 -3.661) 4.758 3.839 ( 2.865 1.014 3.661) 4.758 4.138 ( -1.647 -0.564 -1.950) 2.614 4.138 ( -1.647 -0.564 1.950) 2.614 4.368 ( -5.255 1.230 -1.960) 5.742 4.368 ( -5.255 1.230 1.960) 5.742 4.649 ( 1.588 0.204 -7.349) 7.521 4.649 ( 1.588 0.204 7.349) 7.521 4.737 ( -2.087 0.330 -7.174) 7.479 4.737 ( -2.087 0.330 7.174) 7.479 5.047 ( 0.504 1.339 -7.855) 7.984 5.047 ( 0.504 1.339 7.855) 7.984 5.226 ( -8.113 1.401 -15.978) 17.975 5.226 ( -8.113 1.401 15.978) 17.975 6.172 ( 2.688 0.404 -4.795) 5.512 6.172 ( 2.688 0.404 4.795) 5.512 6.432 ( 0.108 -0.357 -8.051) 8.060 6.432 ( 0.108 -0.357 8.051) 8.060 6.516 ( 4.182 3.825 -7.359) 9.289 6.516 ( 4.182 3.825 7.359) 9.289 6.821 ( -4.310 0.422 -1.109) 4.470 6.821 ( -4.310 0.422 1.109) 4.470 7.292 ( 0.695 0.495 -5.584) 5.649 7.292 ( 0.695 0.495 5.584) 5.649 7.498 ( -2.301 0.016 -1.916) 2.994 7.498 ( -2.301 0.016 1.916) 2.994 7.631 ( -1.498 -3.173 -4.704) 5.868 7.631 ( -1.498 -3.173 4.704) 5.868 7.877 ( -2.956 -0.129 -4.954) 5.771 7.877 ( -2.956 -0.129 4.954) 5.771 8.107 ( 2.695 -0.684 -12.211) 12.524 8.107 ( 2.695 -0.684 12.211) 12.524 8.433 ( -4.784 -2.368 -6.366) 8.308 8.433 ( -4.784 -2.368 6.366) 8.308 8.768 ( -1.512 -6.071 -6.801) 9.241 8.768 ( -1.512 -6.071 6.801) 9.241 9.079 ( 0.308 0.432 -3.014) 3.060 9.079 ( 0.308 0.432 3.014) 3.060 9.199 ( -2.253 0.475 -6.705) 7.090 9.199 ( -2.253 0.475 6.705) 7.090 9.695 ( 3.720 2.400 -7.193) 8.446 9.695 ( 3.720 2.400 7.193) 8.446 10.315 ( 15.104 -5.625 -7.868) 17.935 10.315 ( 15.104 -5.625 7.868) 17.935 10.843 ( -7.572 -5.088 -1.305) 9.215 10.843 ( -7.572 -5.088 1.305) 9.215 11.145 ( 2.589 -2.062 -6.112) 6.950 11.145 ( 2.589 -2.062 6.112) 6.950 11.794 ( 2.165 3.536 -4.185) 5.891 11.794 ( 2.165 3.536 4.185) 5.891 12.527 ( 0.664 -0.281 -1.446) 1.615 12.527 ( 0.664 -0.281 1.446) 1.615 12.666 ( 1.415 -2.901 -9.613) 10.141 12.666 ( 1.415 -2.901 9.613) 10.141 12.878 ( -7.234 -5.631 -7.440) 11.807 12.878 ( -7.234 -5.631 7.440) 11.807 13.425 ( -11.906 -3.315 -3.207) 12.769 13.425 ( -11.906 -3.315 3.207) 12.769 13.743 ( 0.323 -1.806 -2.418) 3.036 13.743 ( 0.323 -1.806 2.418) 3.036 14.177 ( -0.802 4.332 -9.223) 10.221 14.177 ( -0.802 4.332 9.223) 10.221 15.132 ( 10.414 14.349 -13.924) 22.544 15.132 ( 10.414 14.349 13.924) 22.544 15.944 ( 2.353 2.222 -3.747) 4.951 15.944 ( 2.353 2.222 3.747) 4.951 ======================= Grid point 204 (63/75) ======================= q-point: (-0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( -0.000 7.779 -13.114) 15.248 0.711 ( -0.000 7.779 13.114) 15.248 0.778 ( -0.000 5.252 -17.658) 18.422 0.778 ( -0.000 5.252 17.658) 18.422 1.187 ( 0.000 -1.509 -5.081) 5.301 1.187 ( 0.000 -1.509 5.081) 5.301 1.309 ( -0.000 6.170 -10.336) 12.038 1.309 ( -0.000 6.170 10.336) 12.038 1.554 ( -0.000 3.257 -11.996) 12.431 1.554 ( -0.000 3.257 11.996) 12.431 1.702 ( -0.000 2.151 -4.946) 5.393 1.702 ( -0.000 2.151 4.946) 5.393 1.766 ( -0.000 1.156 -7.118) 7.212 1.766 ( -0.000 1.156 7.118) 7.212 1.883 ( 0.000 -3.174 -2.847) 4.263 1.883 ( 0.000 -3.174 2.847) 4.263 2.079 ( 0.000 -1.465 -0.271) 1.490 2.079 ( 0.000 -1.465 0.271) 1.490 2.215 ( 0.000 -1.329 -3.427) 3.676 2.215 ( 0.000 -1.329 3.427) 3.676 2.241 ( 0.000 -1.007 -4.426) 4.539 2.241 ( 0.000 -1.007 4.426) 4.539 2.329 ( -0.000 1.834 -4.294) 4.669 2.329 ( -0.000 1.834 4.294) 4.669 2.685 ( 0.000 -11.943 -7.455) 14.079 2.685 ( 0.000 -11.943 7.455) 14.079 2.795 ( -0.000 0.239 -3.153) 3.162 2.795 ( -0.000 0.239 3.153) 3.162 2.865 ( 0.000 -2.461 -3.812) 4.537 2.865 ( 0.000 -2.461 3.812) 4.537 3.037 ( -0.000 0.105 -2.623) 2.625 3.037 ( -0.000 0.105 2.623) 2.625 3.456 ( 0.000 -1.292 -0.777) 1.508 3.456 ( 0.000 -1.292 0.777) 1.508 3.640 ( 0.000 -2.918 -5.298) 6.048 3.640 ( 0.000 -2.918 5.298) 6.048 3.910 ( 0.000 -0.038 -5.121) 5.121 3.910 ( 0.000 -0.038 5.121) 5.121 4.062 ( -0.000 10.955 -2.439) 11.224 4.062 ( -0.000 10.955 2.439) 11.224 4.291 ( 0.000 -0.927 -3.670) 3.785 4.291 ( 0.000 -0.927 3.670) 3.785 4.628 ( -0.000 2.097 -2.273) 3.093 4.628 ( -0.000 2.097 2.273) 3.093 4.752 ( 0.000 -1.802 -16.604) 16.701 4.752 ( 0.000 -1.802 16.604) 16.701 5.084 ( -0.000 2.916 -18.427) 18.656 5.084 ( -0.000 2.916 18.427) 18.656 5.086 ( -0.000 0.155 -9.961) 9.962 5.086 ( -0.000 0.155 9.961) 9.962 6.200 ( -0.000 0.104 -6.722) 6.723 6.200 ( -0.000 0.104 6.722) 6.723 6.404 ( -0.000 0.845 -7.382) 7.430 6.404 ( -0.000 0.845 7.382) 7.430 6.566 ( -0.000 1.620 -3.418) 3.782 6.566 ( -0.000 1.620 3.418) 3.782 6.767 ( -0.000 0.086 -0.349) 0.360 6.767 ( -0.000 0.086 0.349) 0.360 7.297 ( -0.000 0.281 -6.074) 6.080 7.297 ( -0.000 0.281 6.074) 6.080 7.474 ( 0.000 -0.053 -1.659) 1.659 7.474 ( 0.000 -0.053 1.659) 1.659 7.642 ( 0.000 -2.235 -5.226) 5.684 7.642 ( 0.000 -2.235 5.226) 5.684 7.843 ( 0.000 -0.173 -5.789) 5.791 7.843 ( 0.000 -0.173 5.789) 5.791 8.145 ( 0.000 -0.665 -10.497) 10.518 8.145 ( 0.000 -0.665 10.497) 10.518 8.374 ( -0.000 0.009 -5.743) 5.743 8.374 ( -0.000 0.009 5.743) 5.743 8.817 ( 0.000 -7.380 -5.699) 9.324 8.817 ( 0.000 -7.380 5.699) 9.324 9.075 ( -0.000 1.713 -2.841) 3.318 9.075 ( -0.000 1.713 2.841) 3.318 9.173 ( 0.000 -0.056 -6.344) 6.344 9.173 ( 0.000 -0.056 6.344) 6.344 9.717 ( -0.000 1.714 -8.072) 8.252 9.717 ( -0.000 1.714 8.072) 8.252 10.671 ( 0.000 -0.033 -11.804) 11.804 10.671 ( 0.000 -0.033 11.804) 11.804 10.685 ( 0.000 -13.398 -18.619) 22.938 10.685 ( 0.000 -13.398 18.619) 22.938 11.207 ( 0.000 -4.317 -5.878) 7.292 11.207 ( 0.000 -4.317 5.878) 7.292 11.788 ( -0.000 4.311 -3.141) 5.334 11.788 ( -0.000 4.311 3.141) 5.334 12.538 ( 0.000 -0.253 -0.447) 0.514 12.538 ( 0.000 -0.253 0.447) 0.514 12.675 ( -0.000 0.069 -7.538) 7.539 12.675 ( -0.000 0.069 7.538) 7.539 12.891 ( 0.000 -12.191 -11.421) 16.705 12.891 ( 0.000 -12.191 11.421) 16.705 13.294 ( -0.000 0.022 -1.586) 1.586 13.294 ( -0.000 0.022 1.586) 1.586 13.767 ( 0.000 -3.243 -2.709) 4.226 13.767 ( 0.000 -3.243 2.709) 4.226 14.134 ( -0.000 4.330 -9.052) 10.035 14.134 ( -0.000 4.330 9.052) 10.035 15.103 ( -0.000 18.464 -13.327) 22.771 15.103 ( -0.000 18.464 13.327) 22.771 15.949 ( -0.000 2.173 -3.922) 4.484 15.949 ( -0.000 2.173 3.922) 4.484 ======================= Grid point 210 (64/75) ======================= q-point: ( 0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 1.859 -0.000 -4.079) 4.482 1.113 ( 1.859 -0.000 4.079) 4.482 1.157 ( -0.810 0.000 -2.184) 2.329 1.157 ( -0.810 0.000 2.184) 2.329 1.480 ( 13.573 -0.000 -6.915) 15.233 1.480 ( 13.573 -0.000 6.915) 15.233 1.659 ( 7.731 -0.000 -3.771) 8.602 1.659 ( 7.731 -0.000 3.771) 8.602 1.759 ( -5.390 0.000 -0.522) 5.415 1.759 ( -5.390 0.000 0.522) 5.415 1.799 ( -0.419 0.000 -0.838) 0.937 1.799 ( -0.419 0.000 0.838) 0.937 1.844 ( -1.631 0.000 -1.226) 2.040 1.844 ( -1.631 0.000 1.226) 2.040 1.891 ( -6.040 0.000 -2.903) 6.701 1.891 ( -6.040 0.000 2.903) 6.701 2.044 ( -3.773 0.000 -3.183) 4.936 2.044 ( -3.773 0.000 3.183) 4.936 2.100 ( 2.809 -0.000 -3.926) 4.828 2.100 ( 2.809 -0.000 3.926) 4.828 2.191 ( 1.069 -0.000 -0.755) 1.309 2.191 ( 1.069 -0.000 0.755) 1.309 2.476 ( 1.933 -0.000 -0.338) 1.963 2.476 ( 1.933 -0.000 0.338) 1.963 2.494 ( 8.653 -0.000 -4.151) 9.597 2.494 ( 8.653 -0.000 4.151) 9.597 2.860 ( -0.066 0.000 -4.614) 4.614 2.860 ( -0.066 0.000 4.614) 4.614 3.085 ( -2.511 0.000 -3.833) 4.582 3.085 ( -2.511 0.000 3.833) 4.582 3.338 ( -0.940 0.000 -5.003) 5.090 3.338 ( -0.940 0.000 5.003) 5.090 3.397 ( 0.084 -0.000 -0.087) 0.121 3.397 ( 0.084 -0.000 0.087) 0.121 3.795 ( 3.266 -0.000 -2.095) 3.880 3.795 ( 3.266 -0.000 2.095) 3.880 4.095 ( 0.946 -0.000 -10.288) 10.331 4.095 ( 0.946 -0.000 10.288) 10.331 4.290 ( 0.937 -0.000 -4.907) 4.996 4.290 ( 0.937 -0.000 4.907) 4.996 4.484 ( -1.102 0.000 -0.850) 1.391 4.484 ( -1.102 0.000 0.850) 1.391 4.602 ( 6.763 -0.000 -2.861) 7.343 4.602 ( 6.763 -0.000 2.861) 7.343 4.814 ( -8.334 0.000 -5.652) 10.070 4.814 ( -8.334 0.000 5.652) 10.070 5.156 ( 4.359 -0.000 -4.001) 5.917 5.156 ( 4.359 -0.000 4.001) 5.917 5.594 ( 2.904 -0.000 -9.814) 10.235 5.594 ( 2.904 -0.000 9.814) 10.235 5.860 ( -4.487 0.000 -8.731) 9.817 5.860 ( -4.487 0.000 8.731) 9.817 6.098 ( -1.514 0.000 -4.980) 5.205 6.098 ( -1.514 0.000 4.980) 5.205 6.601 ( 1.210 -0.000 -1.528) 1.949 6.601 ( 1.210 -0.000 1.528) 1.949 6.928 ( 0.377 -0.000 -2.705) 2.731 6.928 ( 0.377 -0.000 2.705) 2.731 7.379 ( 3.408 -0.000 -0.935) 3.534 7.379 ( 3.408 -0.000 0.935) 3.534 7.543 ( -3.328 0.000 -2.146) 3.959 7.543 ( -3.328 0.000 2.146) 3.959 7.711 ( -0.579 0.000 -0.420) 0.716 7.711 ( -0.579 0.000 0.420) 0.716 7.946 ( 1.435 -0.000 -1.972) 2.439 7.946 ( 1.435 -0.000 1.972) 2.439 8.178 ( 2.407 -0.000 -6.390) 6.828 8.178 ( 2.407 -0.000 6.390) 6.828 8.449 ( -4.757 0.000 -1.430) 4.967 8.449 ( -4.757 0.000 1.430) 4.967 8.815 ( -0.720 0.000 -3.512) 3.585 8.815 ( -0.720 0.000 3.512) 3.585 9.110 ( -1.063 0.000 -2.998) 3.181 9.110 ( -1.063 0.000 2.998) 3.181 9.284 ( 1.886 -0.000 -3.282) 3.785 9.284 ( 1.886 -0.000 3.282) 3.785 9.595 ( 1.497 -0.000 -5.844) 6.032 9.595 ( 1.497 -0.000 5.844) 6.032 10.078 ( 0.687 -0.000 -1.787) 1.914 10.078 ( 0.687 -0.000 1.787) 1.914 10.828 ( -2.896 0.000 -0.638) 2.966 10.828 ( -2.896 0.000 0.638) 2.966 11.134 ( 0.104 -0.000 -1.784) 1.787 11.134 ( 0.104 -0.000 1.784) 1.787 11.755 ( 1.133 -0.000 -1.497) 1.878 11.755 ( 1.133 -0.000 1.497) 1.878 12.461 ( -1.053 0.000 -3.365) 3.526 12.461 ( -1.053 0.000 3.365) 3.526 12.619 ( -0.922 0.000 -4.732) 4.821 12.619 ( -0.922 0.000 4.732) 4.821 13.198 ( 1.135 -0.000 -7.966) 8.047 13.198 ( 1.135 -0.000 7.966) 8.047 13.687 ( -1.703 0.000 -0.998) 1.974 13.687 ( -1.703 0.000 0.998) 1.974 13.879 ( 4.998 -0.000 -3.848) 6.308 13.879 ( 4.998 -0.000 3.848) 6.308 14.360 ( -9.276 0.000 -15.762) 18.289 14.360 ( -9.276 0.000 15.762) 18.289 14.466 ( 6.786 -0.000 -9.512) 11.685 14.466 ( 6.786 -0.000 9.512) 11.685 15.812 ( -0.197 0.000 -1.770) 1.781 15.812 ( -0.197 0.000 1.770) 1.781 ======================= Grid point 212 (65/75) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 0.065 0.711 -2.443) 2.545 1.126 ( 0.065 0.711 2.443) 2.545 1.147 ( -0.683 -0.666 -1.238) 1.563 1.147 ( -0.683 -0.666 1.238) 1.563 1.626 ( -6.213 2.262 -0.871) 6.669 1.626 ( -6.213 2.262 0.871) 6.669 1.681 ( 4.812 -1.245 -3.413) 6.030 1.681 ( 4.812 -1.245 3.413) 6.030 1.741 ( -3.256 0.874 -1.939) 3.890 1.741 ( -3.256 0.874 1.939) 3.890 1.766 ( -0.771 -1.893 -0.608) 2.133 1.766 ( -0.771 -1.893 0.608) 2.133 1.838 ( 1.320 0.302 -1.990) 2.407 1.838 ( 1.320 0.302 1.990) 2.407 1.865 ( 5.229 -0.099 -1.695) 5.498 1.865 ( 5.229 -0.099 1.695) 5.498 1.969 ( -2.326 2.296 -1.879) 3.770 1.969 ( -2.326 2.296 1.879) 3.770 2.151 ( 2.271 0.144 -2.947) 3.724 2.151 ( 2.271 0.144 2.947) 3.724 2.223 ( 1.582 -1.317 -1.000) 2.289 2.223 ( 1.582 -1.317 1.000) 2.289 2.483 ( -1.472 -0.552 -1.552) 2.209 2.483 ( -1.472 -0.552 1.552) 2.209 2.594 ( 1.722 0.607 -1.241) 2.208 2.594 ( 1.722 0.607 1.241) 2.208 2.806 ( -4.488 0.242 -1.367) 4.697 2.806 ( -4.488 0.242 1.367) 4.697 3.107 ( 4.211 0.061 -5.461) 6.896 3.107 ( 4.211 0.061 5.461) 6.896 3.324 ( -1.082 -0.422 -2.705) 2.943 3.324 ( -1.082 -0.422 2.705) 2.943 3.394 ( -0.145 0.226 -1.029) 1.063 3.394 ( -0.145 0.226 1.029) 1.064 3.798 ( -3.254 -0.121 -2.663) 4.207 3.798 ( -3.254 -0.121 2.663) 4.207 4.080 ( -2.309 -0.265 -7.025) 7.400 4.080 ( -2.309 -0.265 7.025) 7.400 4.241 ( -7.135 -0.058 -10.964) 13.081 4.241 ( -7.135 -0.058 10.964) 13.081 4.468 ( -0.651 0.719 -3.693) 3.819 4.468 ( -0.651 0.719 3.693) 3.819 4.581 ( -6.883 -0.837 -5.519) 8.862 4.581 ( -6.883 -0.837 5.519) 8.862 4.785 ( 4.853 -0.468 -6.101) 7.810 4.785 ( 4.853 -0.468 6.101) 7.810 5.198 ( -0.589 0.301 -4.239) 4.290 5.198 ( -0.589 0.301 4.239) 4.290 5.589 ( -2.941 0.128 -10.493) 10.898 5.589 ( -2.941 0.128 10.493) 10.898 5.900 ( 8.630 0.223 -5.059) 10.006 5.900 ( 8.630 0.223 5.059) 10.006 6.084 ( -0.056 -0.090 -3.611) 3.613 6.084 ( -0.056 -0.090 3.611) 3.613 6.616 ( 0.440 0.036 -3.174) 3.205 6.616 ( 0.440 0.036 3.174) 3.205 6.939 ( 0.895 0.163 -1.474) 1.732 6.939 ( 0.895 0.163 1.474) 1.732 7.415 ( -0.944 -0.174 -3.059) 3.206 7.415 ( -0.944 -0.174 3.059) 3.206 7.487 ( -0.952 0.426 -0.536) 1.173 7.487 ( -0.952 0.426 0.536) 1.173 7.711 ( -0.048 -0.296 -0.480) 0.566 7.711 ( -0.048 -0.296 0.480) 0.566 7.939 ( -2.214 -0.624 -6.129) 6.547 7.939 ( -2.214 -0.624 6.129) 6.547 8.198 ( -0.168 1.258 -7.923) 8.024 8.198 ( -0.168 1.258 7.923) 8.024 8.369 ( -3.761 -0.736 -3.904) 5.471 8.369 ( -3.761 -0.736 3.904) 5.471 8.815 ( 0.508 -0.291 -3.111) 3.166 8.815 ( 0.508 -0.291 3.111) 3.166 9.096 ( -0.413 -0.088 -2.768) 2.800 9.096 ( -0.413 -0.088 2.768) 2.800 9.288 ( -1.543 -0.346 -1.879) 2.456 9.288 ( -1.543 -0.346 1.879) 2.456 9.623 ( 1.852 0.509 -2.727) 3.335 9.623 ( 1.852 0.509 2.727) 3.335 10.079 ( -1.236 -0.755 -3.180) 3.494 10.079 ( -1.236 -0.755 3.180) 3.494 10.804 ( 0.306 0.066 -1.252) 1.291 10.804 ( 0.306 0.066 1.252) 1.291 11.128 ( -0.694 0.058 -1.982) 2.101 11.128 ( -0.694 0.058 1.982) 2.101 11.772 ( 0.449 -0.632 -1.005) 1.270 11.772 ( 0.449 -0.632 1.005) 1.270 12.453 ( 0.289 -0.028 -1.681) 1.706 12.453 ( 0.289 -0.028 1.681) 1.706 12.601 ( -0.920 0.229 -2.860) 3.013 12.601 ( -0.920 0.229 2.860) 3.013 13.191 ( -1.606 0.792 -1.757) 2.509 13.191 ( -1.606 0.792 1.757) 2.509 13.657 ( -1.869 -0.497 -0.885) 2.127 13.657 ( -1.869 -0.497 0.885) 2.127 13.957 ( 4.797 7.260 -3.154) 9.256 13.957 ( 4.797 7.260 3.154) 9.256 14.213 ( -8.156 -7.103 -10.365) 14.980 14.213 ( -8.156 -7.103 10.365) 14.980 14.607 ( 9.109 0.422 -9.793) 13.382 14.607 ( 9.109 0.422 9.793) 13.382 15.827 ( 1.791 0.106 -0.620) 1.899 15.827 ( 1.791 0.106 0.620) 1.899 ======================= Grid point 214 (66/75) ======================= q-point: (-0.56 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( -0.535 0.585 -1.099) 1.355 1.117 ( -0.535 0.585 1.099) 1.355 1.131 ( -1.345 -0.012 -1.874) 2.307 1.131 ( -1.345 -0.012 1.874) 2.307 1.475 ( -6.397 6.143 -2.299) 9.162 1.475 ( -6.397 6.143 2.299) 9.162 1.606 ( -7.322 1.044 -4.937) 8.893 1.606 ( -7.322 1.044 4.937) 8.893 1.708 ( -2.898 -3.916 -1.872) 5.218 1.708 ( -2.898 -3.916 1.872) 5.218 1.799 ( 1.042 -0.734 -1.082) 1.672 1.799 ( 1.042 -0.734 1.082) 1.672 1.865 ( 0.540 0.078 -0.396) 0.674 1.865 ( 0.540 0.078 0.396) 0.674 1.961 ( 3.352 1.020 -1.210) 3.707 1.961 ( 3.352 1.020 1.210) 3.707 1.982 ( 5.752 0.341 -2.313) 6.209 1.982 ( 5.752 0.341 2.313) 6.209 2.171 ( 0.784 2.084 -1.523) 2.698 2.171 ( 0.784 2.084 1.523) 2.698 2.265 ( 1.628 -1.259 -2.531) 3.262 2.265 ( 1.628 -1.259 2.531) 3.262 2.413 ( -6.429 0.404 -1.653) 6.650 2.413 ( -6.429 0.404 1.653) 6.650 2.558 ( -3.371 2.385 -2.544) 4.850 2.558 ( -3.371 2.385 2.544) 4.850 2.741 ( -2.239 -0.296 -0.855) 2.415 2.741 ( -2.239 -0.296 0.855) 2.415 3.176 ( 1.899 0.588 -1.787) 2.673 3.176 ( 1.899 0.588 1.787) 2.673 3.295 ( -2.590 -0.101 -3.813) 4.610 3.295 ( -2.590 -0.101 3.813) 4.610 3.414 ( 2.460 -1.228 -3.411) 4.381 3.414 ( 2.460 -1.228 3.411) 4.381 3.658 ( -11.752 -0.555 -3.334) 12.229 3.658 ( -11.752 -0.555 3.334) 12.229 3.981 ( -8.804 -0.633 -4.714) 10.007 3.981 ( -8.804 -0.633 4.714) 10.007 4.128 ( -3.344 -2.257 -7.928) 8.896 4.128 ( -3.344 -2.257 7.928) 8.896 4.448 ( -0.631 0.683 -7.055) 7.116 4.448 ( -0.631 0.683 7.055) 7.116 4.538 ( 0.589 -0.505 -8.743) 8.778 4.538 ( 0.589 -0.505 8.743) 8.778 4.853 ( 1.404 -0.975 -8.816) 8.980 4.853 ( 1.404 -0.975 8.816) 8.980 5.134 ( -5.071 0.468 -9.624) 10.888 5.134 ( -5.071 0.468 9.624) 10.888 5.514 ( -4.988 0.363 -16.747) 17.478 5.514 ( -4.988 0.363 16.747) 17.478 6.080 ( 4.981 1.309 -10.591) 11.777 6.080 ( 4.981 1.309 10.591) 11.777 6.126 ( 9.608 -0.470 -10.123) 13.964 6.126 ( 9.608 -0.470 10.123) 13.964 6.613 ( -0.496 0.694 -3.426) 3.530 6.613 ( -0.496 0.694 3.426) 3.530 6.949 ( 0.063 0.652 -0.569) 0.868 6.949 ( 0.063 0.652 0.569) 0.868 7.358 ( -3.309 0.938 -3.824) 5.143 7.358 ( -3.309 0.938 3.824) 5.143 7.499 ( 0.589 -1.135 -4.293) 4.480 7.499 ( 0.589 -1.135 4.293) 4.480 7.697 ( -2.562 -0.870 -1.517) 3.102 7.697 ( -2.562 -0.870 1.517) 3.102 7.896 ( -1.857 -0.368 -10.841) 11.005 7.896 ( -1.857 -0.368 10.841) 11.005 8.154 ( -2.904 1.601 -3.953) 5.160 8.154 ( -2.904 1.601 3.953) 5.160 8.338 ( -1.382 -3.206 -5.616) 6.613 8.338 ( -1.382 -3.206 5.616) 6.613 8.826 ( -0.015 0.126 -2.307) 2.310 8.826 ( -0.015 0.126 2.307) 2.310 9.085 ( -1.941 -1.289 -3.567) 4.260 9.085 ( -1.941 -1.289 3.567) 4.260 9.254 ( -1.383 -0.032 -2.713) 3.046 9.254 ( -1.383 -0.032 2.713) 3.046 9.654 ( 2.274 1.360 -0.933) 2.809 9.654 ( 2.274 1.360 0.933) 2.809 10.053 ( -1.763 -1.202 -4.993) 5.430 10.053 ( -1.763 -1.202 4.993) 5.430 10.829 ( 1.719 -0.533 -2.020) 2.705 10.829 ( 1.719 -0.533 2.020) 2.705 11.110 ( -1.335 -0.250 -1.147) 1.778 11.110 ( -1.335 -0.250 1.147) 1.778 11.783 ( 0.582 -0.352 -3.573) 3.637 11.783 ( 0.582 -0.352 3.573) 3.637 12.470 ( 1.357 -0.258 -0.916) 1.658 12.470 ( 1.357 -0.258 0.916) 1.658 12.586 ( -0.557 -0.118 -1.209) 1.336 12.586 ( -0.557 -0.118 1.209) 1.336 13.121 ( -5.484 0.837 -4.910) 7.408 13.121 ( -5.484 0.837 4.910) 7.408 13.622 ( -2.701 -0.934 -0.577) 2.915 13.622 ( -2.701 -0.934 0.577) 2.915 13.888 ( -4.966 6.137 -2.642) 8.325 13.888 ( -4.966 6.137 2.642) 8.325 14.209 ( 0.700 -4.756 -5.787) 7.523 14.209 ( 0.700 -4.756 5.787) 7.523 14.808 ( 13.625 1.020 -7.764) 15.715 14.808 ( 13.625 1.020 7.764) 15.715 15.871 ( 3.265 0.622 -0.824) 3.424 15.871 ( 3.265 0.622 0.824) 3.424 ======================= Grid point 216 (67/75) ======================= q-point: (-0.44 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( -3.656 3.642 -3.105) 6.022 1.064 ( -3.656 3.642 3.105) 6.022 1.120 ( -0.447 -0.176 -3.612) 3.644 1.120 ( -0.447 -0.176 3.612) 3.644 1.301 ( -6.611 8.177 -5.164) 11.715 1.301 ( -6.611 8.177 5.164) 11.715 1.472 ( -5.640 1.120 -6.997) 9.057 1.472 ( -5.640 1.120 6.997) 9.057 1.695 ( -1.939 -4.242 -1.117) 4.796 1.695 ( -1.939 -4.242 1.117) 4.796 1.802 ( -0.687 0.049 -0.843) 1.089 1.802 ( -0.687 0.049 0.843) 1.089 1.874 ( 0.262 0.072 -1.875) 1.894 1.874 ( 0.262 0.072 1.875) 1.894 1.999 ( -0.527 2.303 -0.768) 2.484 1.999 ( -0.527 2.303 0.768) 2.484 2.052 ( 1.855 -0.576 -4.456) 4.861 2.052 ( 1.855 -0.576 4.456) 4.861 2.128 ( -2.806 4.229 -2.202) 5.532 2.128 ( -2.806 4.229 2.202) 5.532 2.263 ( -1.807 1.694 -0.625) 2.554 2.263 ( -1.807 1.694 0.625) 2.554 2.331 ( 0.610 -0.239 -3.569) 3.629 2.331 ( 0.610 -0.239 3.569) 3.629 2.481 ( -3.222 -0.132 -4.971) 5.925 2.481 ( -3.222 -0.132 4.971) 5.925 2.727 ( 0.095 -0.809 -0.138) 0.826 2.727 ( 0.095 -0.809 0.138) 0.826 3.144 ( -4.273 0.837 -3.227) 5.420 3.144 ( -4.273 0.837 3.227) 5.420 3.197 ( -10.489 -1.027 -4.193) 11.342 3.197 ( -10.489 -1.027 4.193) 11.342 3.392 ( -4.515 -0.913 -2.694) 5.336 3.392 ( -4.515 -0.913 2.694) 5.336 3.585 ( 4.494 -1.660 -7.229) 8.672 3.585 ( 4.494 -1.660 7.229) 8.672 3.850 ( -5.524 -1.374 -2.700) 6.300 3.850 ( -5.524 -1.374 2.700) 6.300 4.107 ( -1.927 -3.002 -3.032) 4.681 4.107 ( -1.927 -3.002 3.032) 4.681 4.430 ( -1.639 -0.142 -2.583) 3.062 4.430 ( -1.639 -0.142 2.583) 3.062 4.579 ( 3.101 -0.458 -8.577) 9.132 4.579 ( 3.101 -0.458 8.577) 9.132 4.838 ( -3.174 1.007 -3.946) 5.163 4.838 ( -3.174 1.007 3.946) 5.163 5.057 ( -2.483 -0.979 -5.840) 6.421 5.057 ( -2.483 -0.979 5.840) 6.421 5.400 ( -6.783 1.219 -16.768) 18.129 5.400 ( -6.783 1.219 16.768) 18.129 6.127 ( 2.655 0.110 -4.064) 4.856 6.127 ( 2.655 0.110 4.064) 4.856 6.332 ( 10.320 1.176 -3.325) 10.906 6.332 ( 10.320 1.176 3.325) 10.906 6.587 ( -0.909 2.180 -3.650) 4.348 6.587 ( -0.909 2.180 3.650) 4.348 6.915 ( -3.127 1.106 -1.106) 3.497 6.915 ( -3.127 1.106 1.106) 3.497 7.310 ( -0.755 1.240 -4.649) 4.871 7.310 ( -0.755 1.240 4.649) 4.871 7.512 ( -0.378 -1.624 -4.394) 4.699 7.512 ( -0.378 -1.624 4.394) 4.699 7.626 ( -5.505 -1.912 -1.560) 6.033 7.626 ( -5.505 -1.912 1.560) 6.033 7.896 ( 0.539 -0.349 -4.884) 4.926 7.896 ( 0.539 -0.349 4.884) 4.926 8.090 ( -2.345 0.424 -6.580) 6.998 8.090 ( -2.345 0.424 6.580) 6.998 8.361 ( 0.281 -4.571 -5.710) 7.319 8.361 ( 0.281 -4.571 5.710) 7.319 8.785 ( -4.787 -0.086 -7.674) 9.046 8.785 ( -4.787 -0.086 7.674) 9.046 9.058 ( -1.382 -2.158 -2.416) 3.522 9.058 ( -1.382 -2.158 2.416) 3.522 9.242 ( -0.713 0.349 -6.495) 6.543 9.242 ( -0.713 0.349 6.495) 6.543 9.687 ( 3.158 2.243 -3.581) 5.275 9.687 ( 3.158 2.243 3.581) 5.275 10.070 ( 3.166 -2.192 -7.760) 8.663 10.070 ( 3.166 -2.192 7.760) 8.663 10.847 ( -1.423 -1.578 -0.588) 2.205 10.847 ( -1.423 -1.578 0.588) 2.205 11.093 ( -0.541 -0.956 -2.500) 2.731 11.093 ( -0.541 -0.956 2.500) 2.731 11.804 ( 1.961 0.758 -5.081) 5.499 11.804 ( 1.961 0.758 5.081) 5.499 12.500 ( 1.389 -0.405 -2.831) 3.179 12.500 ( 1.389 -0.405 2.831) 3.179 12.588 ( 0.517 -1.004 -1.314) 1.733 12.588 ( 0.517 -1.004 1.314) 1.733 12.982 ( -9.155 -0.401 -7.638) 11.929 12.982 ( -9.155 -0.401 7.638) 11.929 13.550 ( -7.248 -1.394 -1.859) 7.611 13.550 ( -7.248 -1.394 1.859) 7.611 13.763 ( -3.992 1.438 -1.835) 4.622 13.763 ( -3.992 1.438 1.835) 4.622 14.249 ( 1.803 1.386 -7.876) 8.198 14.249 ( 1.803 1.386 7.876) 8.198 15.069 ( 15.878 3.174 -7.884) 18.009 15.069 ( 15.878 3.174 7.884) 18.009 15.929 ( 3.672 1.274 -2.398) 4.567 15.929 ( 3.672 1.274 2.398) 4.567 ======================= Grid point 218 (68/75) ======================= q-point: (-0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( -3.420 8.195 -5.064) 10.222 0.944 ( -3.420 8.195 5.064) 10.222 1.055 ( -6.490 7.515 -6.056) 11.631 1.055 ( -6.490 7.515 6.056) 11.631 1.159 ( -2.426 -0.466 -4.438) 5.079 1.159 ( -2.426 -0.466 4.438) 5.079 1.404 ( -1.305 0.572 -7.342) 7.479 1.404 ( -1.305 0.572 7.342) 7.479 1.694 ( -0.001 1.273 -4.397) 4.577 1.694 ( -0.001 1.273 4.397) 4.577 1.788 ( -1.291 -1.323 -0.856) 2.037 1.788 ( -1.291 -1.323 0.856) 2.037 1.847 ( -2.490 2.070 -4.205) 5.308 1.847 ( -2.490 2.070 4.205) 5.308 1.860 ( -5.691 7.109 -5.282) 10.527 1.860 ( -5.691 7.109 5.282) 10.527 2.057 ( 0.215 0.468 -1.579) 1.661 2.057 ( 0.215 0.468 1.579) 1.661 2.138 ( 2.745 -1.410 -3.703) 4.821 2.138 ( 2.745 -1.410 3.703) 4.821 2.243 ( -0.321 0.619 -2.266) 2.371 2.243 ( -0.321 0.619 2.266) 2.371 2.346 ( 0.428 0.109 -0.898) 1.001 2.346 ( 0.428 0.109 0.898) 1.001 2.465 ( -0.377 -4.160 -5.713) 7.077 2.465 ( -0.377 -4.160 5.713) 7.077 2.752 ( 1.699 -1.156 -0.981) 2.277 2.752 ( 1.699 -1.156 0.981) 2.277 2.961 ( -11.847 -1.402 -2.425) 12.174 2.961 ( -11.847 -1.402 2.425) 12.174 3.076 ( -3.561 0.449 -3.100) 4.743 3.076 ( -3.561 0.449 3.100) 4.743 3.387 ( 1.606 -1.425 -2.713) 3.459 3.387 ( 1.606 -1.425 2.713) 3.459 3.628 ( -3.012 -2.606 -6.394) 7.533 3.628 ( -3.012 -2.606 6.394) 7.533 3.849 ( 4.685 0.242 -3.661) 5.951 3.849 ( 4.685 0.242 3.661) 5.951 4.112 ( 0.860 -2.649 -2.017) 3.439 4.112 ( 0.860 -2.649 2.017) 3.439 4.371 ( -5.586 -0.775 -0.991) 5.726 4.371 ( -5.586 -0.775 0.991) 5.726 4.644 ( 3.090 -0.701 -13.182) 13.558 4.644 ( 3.090 -0.701 13.183) 13.558 4.751 ( -4.067 1.491 -5.142) 6.723 4.751 ( -4.067 1.491 5.142) 6.723 5.057 ( 1.452 -0.026 -8.687) 8.807 5.057 ( 1.452 -0.026 8.687) 8.807 5.258 ( -6.802 2.471 -16.985) 18.463 5.258 ( -6.802 2.471 16.985) 18.463 6.176 ( 2.538 0.139 -4.721) 5.362 6.176 ( 2.538 0.139 4.721) 5.362 6.435 ( 0.874 0.670 -6.898) 6.985 6.435 ( 0.874 0.670 6.898) 6.985 6.582 ( 4.147 4.305 -7.816) 9.840 6.582 ( 4.147 4.305 7.816) 9.840 6.831 ( -4.734 0.767 -0.720) 4.850 6.831 ( -4.734 0.767 0.720) 4.850 7.306 ( 0.896 1.234 -4.937) 5.167 7.306 ( 0.896 1.234 4.937) 5.167 7.498 ( -2.108 -0.096 -1.769) 2.754 7.498 ( -2.108 -0.096 1.769) 2.754 7.576 ( -1.557 -3.705 -4.614) 6.119 7.576 ( -1.557 -3.705 4.614) 6.119 7.873 ( -2.950 -0.291 -4.814) 5.653 7.873 ( -2.950 -0.291 4.814) 5.653 8.093 ( 1.854 -1.080 -13.870) 14.036 8.093 ( 1.854 -1.080 13.870) 14.036 8.391 ( -1.123 -2.884 -5.480) 6.294 8.391 ( -1.123 -2.884 5.480) 6.294 8.693 ( -4.718 -3.385 -10.566) 12.056 8.693 ( -4.718 -3.385 10.566) 12.056 9.072 ( 0.942 -1.247 -4.027) 4.320 9.072 ( 0.942 -1.247 4.027) 4.320 9.205 ( -2.711 0.268 -6.534) 7.079 9.205 ( -2.711 0.268 6.534) 7.079 9.734 ( 3.333 2.439 -5.780) 7.104 9.734 ( 3.333 2.439 5.780) 7.104 10.225 ( 10.724 -5.455 -13.252) 17.899 10.225 ( 10.724 -5.455 13.252) 17.899 10.783 ( -7.269 -2.552 -3.039) 8.281 10.783 ( -7.269 -2.552 3.039) 8.281 11.113 ( 1.159 -2.030 -6.040) 6.476 11.113 ( 1.159 -2.030 6.040) 6.476 11.838 ( 2.583 2.059 -4.935) 5.938 11.838 ( 2.583 2.059 4.935) 5.938 12.521 ( 0.651 -0.334 -2.449) 2.556 12.521 ( 0.651 -0.334 2.449) 2.556 12.624 ( 2.014 -2.221 -5.058) 5.880 12.624 ( 2.014 -2.221 5.058) 5.880 12.818 ( -9.248 -2.216 -6.651) 11.605 12.818 ( -9.248 -2.216 6.651) 11.605 13.392 ( -9.388 -1.149 -2.169) 9.703 13.392 ( -9.388 -1.149 2.169) 9.703 13.727 ( -0.422 -0.507 -1.979) 2.086 13.727 ( -0.422 -0.507 1.979) 2.086 14.250 ( 0.932 4.779 -9.692) 10.846 14.250 ( 0.932 4.779 9.692) 10.846 15.292 ( 11.292 6.512 -12.407) 17.996 15.292 ( 11.292 6.512 12.407) 17.996 15.978 ( 2.734 1.869 -3.761) 5.011 15.978 ( 2.734 1.869 3.761) 5.011 ======================= Grid point 220 (69/75) ======================= q-point: (-0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( -0.000 9.927 -10.442) 14.408 0.855 ( -0.000 9.927 10.442) 14.408 0.887 ( -0.000 8.523 -14.740) 17.026 0.887 ( -0.000 8.523 14.740) 17.026 1.157 ( 0.000 -2.138 -4.336) 4.834 1.157 ( 0.000 -2.138 4.336) 4.834 1.387 ( -0.000 2.578 -3.326) 4.208 1.387 ( -0.000 2.578 3.326) 4.208 1.645 ( -0.000 8.494 -12.267) 14.920 1.645 ( -0.000 8.494 12.267) 14.920 1.763 ( -0.000 5.733 -5.294) 7.803 1.763 ( -0.000 5.733 5.294) 7.803 1.783 ( 0.000 -0.647 -6.023) 6.058 1.783 ( 0.000 -0.647 6.023) 6.058 1.822 ( 0.000 -3.043 -0.933) 3.183 1.822 ( 0.000 -3.043 0.933) 3.183 2.060 ( 0.000 -0.520 -0.542) 0.751 2.060 ( 0.000 -0.520 0.542) 0.751 2.187 ( 0.000 -2.282 -3.882) 4.503 2.187 ( 0.000 -2.282 3.882) 4.503 2.233 ( -0.000 0.129 -4.301) 4.303 2.233 ( -0.000 0.129 4.301) 4.303 2.350 ( -0.000 0.426 -2.613) 2.647 2.350 ( -0.000 0.426 2.613) 2.647 2.515 ( 0.000 -8.510 -8.410) 11.964 2.515 ( 0.000 -8.510 8.410) 11.964 2.799 ( -0.000 0.338 -3.443) 3.460 2.799 ( -0.000 0.338 3.443) 3.460 2.829 ( 0.000 -2.220 -1.059) 2.460 2.829 ( 0.000 -2.220 1.059) 2.460 3.039 ( -0.000 0.209 -2.781) 2.789 3.039 ( -0.000 0.209 2.781) 2.789 3.429 ( 0.000 -2.059 -1.076) 2.323 3.429 ( 0.000 -2.059 1.076) 2.323 3.599 ( 0.000 -2.588 -7.936) 8.348 3.599 ( 0.000 -2.588 7.936) 8.348 3.909 ( 0.000 -0.100 -4.648) 4.649 3.909 ( 0.000 -0.100 4.648) 4.649 4.167 ( -0.000 1.929 -3.008) 3.574 4.167 ( -0.000 1.929 3.008) 3.574 4.276 ( 0.000 -0.919 -3.909) 4.015 4.276 ( 0.000 -0.919 3.909) 4.015 4.667 ( -0.000 2.761 -2.365) 3.636 4.667 ( -0.000 2.761 2.365) 3.636 4.716 ( 0.000 -2.608 -20.987) 21.148 4.716 ( 0.000 -2.608 20.987) 21.148 5.089 ( -0.000 0.240 -10.142) 10.144 5.089 ( -0.000 0.240 10.142) 10.144 5.144 ( -0.000 4.344 -19.235) 19.719 5.144 ( -0.000 4.344 19.235) 19.719 6.202 ( -0.000 0.148 -6.858) 6.860 6.202 ( -0.000 0.148 6.858) 6.860 6.417 ( -0.000 1.020 -10.868) 10.915 6.417 ( -0.000 1.020 10.868) 10.915 6.612 ( -0.000 4.137 -6.919) 8.061 6.612 ( -0.000 4.137 6.919) 8.061 6.769 ( -0.000 0.140 -0.595) 0.611 6.769 ( -0.000 0.140 0.595) 0.611 7.307 ( -0.000 1.055 -5.456) 5.557 7.307 ( -0.000 1.055 5.456) 5.557 7.473 ( 0.000 -0.082 -1.604) 1.606 7.473 ( 0.000 -0.082 1.604) 1.606 7.597 ( 0.000 -3.437 -5.809) 6.750 7.597 ( 0.000 -3.437 5.809) 6.750 7.840 ( 0.000 -0.269 -5.864) 5.870 7.840 ( 0.000 -0.269 5.864) 5.870 8.128 ( 0.000 -1.486 -12.817) 12.903 8.128 ( 0.000 -1.486 12.817) 12.903 8.374 ( -0.000 0.017 -5.888) 5.888 8.374 ( -0.000 0.017 5.888) 5.888 8.699 ( 0.000 -7.182 -8.462) 11.099 8.699 ( 0.000 -7.182 8.462) 11.099 9.090 ( -0.000 0.123 -4.255) 4.256 9.090 ( -0.000 0.123 4.255) 4.256 9.172 ( 0.000 -0.088 -6.258) 6.259 9.172 ( 0.000 -0.088 6.258) 6.259 9.749 ( -0.000 2.282 -6.997) 7.360 9.749 ( -0.000 2.282 6.997) 7.360 10.468 ( 0.000 -12.915 -23.199) 26.552 10.468 ( 0.000 -12.915 23.199) 26.552 10.670 ( 0.000 -0.053 -11.723) 11.723 10.670 ( 0.000 -0.053 11.723) 11.723 11.149 ( 0.000 -3.181 -6.909) 7.606 11.149 ( 0.000 -3.181 6.909) 7.606 11.847 ( -0.000 3.062 -4.050) 5.077 11.847 ( -0.000 3.062 4.050) 5.077 12.531 ( 0.000 -0.512 -1.383) 1.475 12.531 ( 0.000 -0.512 1.383) 1.475 12.676 ( -0.000 0.107 -7.548) 7.549 12.676 ( -0.000 0.107 7.548) 7.549 12.734 ( 0.000 -7.310 -6.867) 10.029 12.734 ( 0.000 -7.310 6.867) 10.029 13.295 ( -0.000 0.035 -1.615) 1.616 13.295 ( -0.000 0.035 1.615) 1.616 13.733 ( 0.000 -1.337 -2.418) 2.763 13.733 ( 0.000 -1.337 2.418) 2.763 14.215 ( -0.000 5.838 -10.510) 12.022 14.215 ( -0.000 5.838 10.510) 12.022 15.336 ( -0.000 10.598 -16.060) 19.242 15.336 ( -0.000 10.598 16.060) 19.242 15.988 ( -0.000 2.475 -4.187) 4.864 15.988 ( -0.000 2.475 4.187) 4.864 ======================= Grid point 230 (70/75) ======================= q-point: (-0.67 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( -1.014 0.000 -3.130) 3.290 1.121 ( -1.014 0.000 3.130) 3.290 1.132 ( -0.483 0.000 -3.030) 3.068 1.132 ( -0.483 0.000 3.030) 3.068 1.539 ( -4.080 0.000 -1.790) 4.455 1.539 ( -4.080 0.000 1.790) 4.455 1.608 ( -7.432 0.000 -3.268) 8.119 1.608 ( -7.432 0.000 3.268) 8.119 1.666 ( -4.819 0.000 -2.614) 5.483 1.666 ( -4.819 0.000 2.614) 5.483 1.795 ( 1.713 -0.000 -1.348) 2.180 1.795 ( 1.713 -0.000 1.348) 2.180 1.866 ( 0.609 -0.000 -0.380) 0.718 1.866 ( 0.609 -0.000 0.380) 0.718 1.966 ( 3.174 -0.000 -2.367) 3.960 1.966 ( 3.174 -0.000 2.367) 3.960 1.992 ( 5.158 -0.000 -0.554) 5.188 1.992 ( 5.158 -0.000 0.554) 5.188 2.190 ( 1.463 -0.000 -2.377) 2.791 2.190 ( 1.463 -0.000 2.377) 2.791 2.250 ( 1.845 -0.000 -2.673) 3.248 2.250 ( 1.845 -0.000 2.673) 3.248 2.413 ( -5.834 0.000 -2.931) 6.528 2.413 ( -5.834 0.000 2.931) 6.528 2.580 ( -3.459 0.000 -1.324) 3.704 2.580 ( -3.459 0.000 1.324) 3.704 2.739 ( -2.360 0.000 -0.475) 2.407 2.739 ( -2.360 0.000 0.475) 2.407 3.181 ( 2.120 -0.000 -0.667) 2.222 3.181 ( 2.120 -0.000 0.667) 2.222 3.296 ( -2.128 0.000 -4.680) 5.141 3.296 ( -2.128 0.000 4.680) 5.141 3.402 ( 1.619 -0.000 -1.460) 2.180 3.402 ( 1.619 -0.000 1.460) 2.180 3.653 ( -12.131 0.000 -4.036) 12.784 3.653 ( -12.131 0.000 4.036) 12.784 3.976 ( -9.103 0.000 -1.378) 9.207 3.976 ( -9.103 0.000 1.378) 9.207 4.109 ( -3.559 0.000 -7.599) 8.391 4.109 ( -3.559 0.000 7.599) 8.391 4.454 ( -0.968 0.000 -6.927) 6.995 4.454 ( -0.968 0.000 6.927) 6.995 4.533 ( 0.893 -0.000 -6.129) 6.194 4.533 ( 0.893 -0.000 6.129) 6.194 4.845 ( 1.821 -0.000 -8.939) 9.122 4.845 ( 1.821 -0.000 8.939) 9.122 5.138 ( -5.499 0.000 -9.988) 11.401 5.138 ( -5.499 0.000 9.988) 11.401 5.517 ( -4.798 0.000 -16.777) 17.450 5.517 ( -4.798 0.000 16.777) 17.450 6.092 ( 1.566 -0.000 -0.527) 1.652 6.092 ( 1.566 -0.000 0.527) 1.652 6.120 ( 13.168 -0.000 -10.023) 16.548 6.120 ( 13.168 -0.000 10.023) 16.548 6.619 ( -0.163 0.000 -3.634) 3.638 6.619 ( -0.163 0.000 3.634) 3.638 6.954 ( 0.229 -0.000 -0.848) 0.878 6.954 ( 0.229 -0.000 0.848) 0.878 7.365 ( -3.100 0.000 -4.026) 5.082 7.365 ( -3.100 0.000 4.026) 5.082 7.490 ( 0.188 -0.000 -3.939) 3.944 7.490 ( 0.188 -0.000 3.939) 3.944 7.690 ( -2.819 0.000 -1.460) 3.175 7.690 ( -2.819 0.000 1.460) 3.175 7.893 ( -1.557 0.000 -11.107) 11.215 7.893 ( -1.557 0.000 11.107) 11.215 8.170 ( -3.410 0.000 -4.661) 5.775 8.170 ( -3.410 0.000 4.661) 5.775 8.309 ( -1.811 0.000 -5.972) 6.241 8.309 ( -1.811 0.000 5.972) 6.241 8.828 ( 0.378 -0.000 -1.505) 1.551 8.828 ( 0.378 -0.000 1.505) 1.551 9.073 ( -2.626 0.000 -4.799) 5.470 9.073 ( -2.626 0.000 4.799) 5.470 9.254 ( -1.095 0.000 -2.711) 2.923 9.254 ( -1.095 0.000 2.711) 2.923 9.665 ( 2.454 -0.000 -0.249) 2.466 9.665 ( 2.454 -0.000 0.249) 2.466 10.042 ( -1.845 0.000 -5.709) 6.000 10.042 ( -1.845 0.000 5.709) 6.000 10.825 ( 1.517 -0.000 -2.043) 2.545 10.825 ( 1.517 -0.000 2.043) 2.545 11.108 ( -1.532 0.000 -1.396) 2.073 11.108 ( -1.532 0.000 1.396) 2.073 11.780 ( 0.882 -0.000 -3.493) 3.603 11.780 ( 0.882 -0.000 3.493) 3.603 12.468 ( 1.299 -0.000 -0.278) 1.328 12.468 ( 1.299 -0.000 0.278) 1.328 12.585 ( -0.733 0.000 -1.743) 1.890 12.585 ( -0.733 0.000 1.743) 1.890 13.129 ( -5.769 0.000 -4.162) 7.114 13.129 ( -5.769 0.000 4.162) 7.114 13.616 ( -2.634 0.000 -0.585) 2.698 13.616 ( -2.634 0.000 0.585) 2.698 13.951 ( -10.162 0.000 -5.466) 11.539 13.951 ( -10.162 0.000 5.466) 11.539 14.158 ( 6.325 -0.000 -8.223) 10.374 14.158 ( 6.325 -0.000 8.223) 10.374 14.814 ( 13.720 -0.000 -6.797) 15.311 14.814 ( 13.720 -0.000 6.797) 15.311 15.876 ( 3.427 -0.000 -0.570) 3.474 15.876 ( 3.427 -0.000 0.570) 3.474 ======================= Grid point 234 (71/75) ======================= q-point: (-0.56 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -1.556 0.593 -1.275) 2.097 1.096 ( -1.556 0.593 1.275) 2.097 1.121 ( -0.625 0.436 -3.848) 3.923 1.121 ( -0.625 0.436 3.848) 3.923 1.425 ( -6.749 6.955 -4.634) 10.742 1.425 ( -6.749 6.955 4.634) 10.742 1.484 ( -5.382 0.259 -8.530) 10.089 1.484 ( -5.382 0.259 8.530) 10.089 1.607 ( -3.027 -5.716 -3.877) 7.541 1.607 ( -3.027 -5.716 3.877) 7.541 1.818 ( 1.032 1.184 -1.232) 1.996 1.818 ( 1.032 1.184 1.232) 1.996 1.869 ( 0.185 -0.608 -1.217) 1.373 1.869 ( 0.185 -0.608 1.217) 1.373 2.021 ( 2.347 0.457 -1.171) 2.663 2.021 ( 2.347 0.457 1.171) 2.663 2.052 ( 0.911 0.521 -2.621) 2.824 2.052 ( 0.911 0.521 2.621) 2.824 2.184 ( -1.971 2.372 -1.631) 3.489 2.184 ( -1.971 2.372 1.631) 3.489 2.279 ( -0.313 0.594 -2.934) 3.010 2.279 ( -0.313 0.594 2.934) 3.010 2.311 ( -2.485 -1.676 -2.032) 3.621 2.311 ( -2.485 -1.676 2.032) 3.621 2.492 ( -4.662 0.960 -2.479) 5.366 2.492 ( -4.662 0.960 2.479) 5.366 2.720 ( 0.004 -0.220 -0.328) 0.395 2.720 ( 0.004 -0.220 0.328) 0.395 3.155 ( -4.613 0.439 -2.951) 5.494 3.155 ( -4.613 0.439 2.951) 5.494 3.189 ( -10.970 -0.115 -4.551) 11.877 3.189 ( -10.970 -0.115 4.551) 11.877 3.385 ( -3.470 -0.068 -1.283) 3.700 3.385 ( -3.470 -0.068 1.283) 3.700 3.554 ( 3.445 -1.583 -3.775) 5.350 3.554 ( 3.445 -1.583 3.775) 5.350 3.836 ( -5.090 -0.403 -3.012) 5.928 3.836 ( -5.090 -0.403 3.012) 5.928 4.072 ( -1.965 -1.283 -4.277) 4.878 4.072 ( -1.965 -1.283 4.277) 4.878 4.427 ( -2.505 -0.107 -1.349) 2.847 4.427 ( -2.505 -0.107 1.349) 2.847 4.574 ( 3.074 -0.130 -7.440) 8.051 4.574 ( 3.074 -0.130 7.440) 8.051 4.850 ( -1.779 0.387 -5.568) 5.858 4.850 ( -1.779 0.387 5.568) 5.858 5.044 ( -3.220 -0.493 -4.927) 5.907 5.044 ( -3.220 -0.493 4.927) 5.907 5.414 ( -6.244 0.501 -16.637) 17.777 5.414 ( -6.244 0.501 16.637) 17.777 6.128 ( 2.543 0.034 -2.977) 3.916 6.128 ( 2.543 0.034 2.977) 3.916 6.345 ( 10.232 0.433 -4.032) 11.006 6.345 ( 10.232 0.433 4.032) 11.006 6.613 ( 0.174 0.921 -4.043) 4.150 6.613 ( 0.174 0.921 4.043) 4.150 6.929 ( -3.082 0.514 -0.226) 3.132 6.929 ( -3.082 0.514 0.226) 3.132 7.326 ( -0.609 0.711 -4.592) 4.687 7.326 ( -0.609 0.711 4.592) 4.687 7.490 ( -0.400 -0.943 -5.084) 5.186 7.490 ( -0.400 -0.943 5.084) 5.186 7.606 ( -5.786 -0.641 -0.552) 5.848 7.606 ( -5.786 -0.641 0.552) 5.848 7.892 ( 0.413 -0.158 -6.064) 6.080 7.892 ( 0.413 -0.158 6.064) 6.080 8.096 ( -3.450 0.302 -4.352) 5.562 8.096 ( -3.450 0.302 4.352) 5.562 8.309 ( 0.820 -1.863 -7.053) 7.341 8.309 ( 0.820 -1.863 7.053) 7.341 8.790 ( -5.224 0.412 -7.003) 8.746 8.790 ( -5.224 0.412 7.003) 8.746 9.029 ( -1.296 -1.285 -1.343) 2.266 9.029 ( -1.296 -1.285 1.343) 2.266 9.245 ( -0.798 0.090 -6.421) 6.471 9.245 ( -0.798 0.090 6.421) 6.471 9.712 ( 3.272 0.913 -1.955) 3.920 9.712 ( 3.272 0.913 1.955) 3.920 10.044 ( 2.459 -0.952 -9.270) 9.638 10.044 ( 2.459 -0.952 9.270) 9.638 10.833 ( -1.653 -0.408 -0.290) 1.727 10.833 ( -1.653 -0.408 0.290) 1.727 11.082 ( -1.019 -0.421 -2.064) 2.340 11.082 ( -1.019 -0.421 2.064) 2.340 11.809 ( 2.419 0.060 -5.088) 5.634 11.809 ( 2.419 0.060 5.088) 5.634 12.496 ( 1.592 -0.092 -1.866) 2.455 12.496 ( 1.592 -0.092 1.866) 2.455 12.579 ( 0.118 -0.232 -0.370) 0.453 12.579 ( 0.118 -0.232 0.370) 0.453 12.982 ( -9.825 0.141 -6.948) 12.034 12.982 ( -9.825 0.141 6.948) 12.034 13.538 ( -6.919 -0.266 -1.778) 7.148 13.538 ( -6.919 -0.266 1.778) 7.148 13.780 ( -6.210 0.679 -2.576) 6.758 13.780 ( -6.210 0.679 2.576) 6.758 14.264 ( 4.637 0.516 -8.720) 9.890 14.264 ( 4.637 0.516 8.720) 9.890 15.095 ( 16.344 0.561 -3.486) 16.721 15.095 ( 16.344 0.561 3.486) 16.721 15.943 ( 3.796 0.458 -2.095) 4.360 15.943 ( 3.796 0.458 2.095) 4.360 ======================= Grid point 236 (72/75) ======================= q-point: (-0.44 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( -1.382 4.736 -4.082) 6.403 1.047 ( -1.382 4.736 4.082) 6.403 1.108 ( -0.670 0.074 -3.396) 3.462 1.108 ( -0.670 0.074 3.396) 3.462 1.218 ( -9.008 6.759 -6.293) 12.902 1.218 ( -9.008 6.759 6.293) 12.902 1.409 ( -2.091 0.397 -9.928) 10.153 1.409 ( -2.091 0.397 9.928) 10.153 1.637 ( 0.651 -6.190 -3.087) 6.947 1.637 ( 0.651 -6.190 3.087) 6.947 1.811 ( 0.264 3.113 -2.218) 3.832 1.811 ( 0.264 3.113 2.218) 3.832 1.871 ( -0.917 0.628 -2.466) 2.705 1.871 ( -0.917 0.628 2.466) 2.705 1.966 ( -4.750 5.132 -2.256) 7.347 1.966 ( -4.750 5.132 2.256) 7.347 2.067 ( 0.818 0.015 -4.302) 4.379 2.067 ( 0.818 0.015 4.302) 4.379 2.132 ( -0.131 0.891 -3.368) 3.486 2.132 ( -0.131 0.891 3.368) 3.486 2.254 ( -0.573 0.697 -0.528) 1.045 2.254 ( -0.573 0.697 0.528) 1.045 2.328 ( -0.345 -2.092 -7.530) 7.823 2.328 ( -0.345 -2.092 7.530) 7.823 2.434 ( -0.878 -0.069 -0.961) 1.304 2.434 ( -0.878 -0.069 0.961) 1.304 2.739 ( 1.768 -0.561 -0.937) 2.078 2.739 ( 1.768 -0.561 0.937) 2.078 2.948 ( -11.428 -0.375 -3.335) 11.910 2.948 ( -11.428 -0.375 3.335) 11.910 3.083 ( -3.788 0.383 -3.045) 4.875 3.083 ( -3.788 0.383 3.045) 4.875 3.371 ( 0.831 -0.586 -1.765) 2.037 3.371 ( 0.831 -0.586 1.765) 2.037 3.588 ( -2.746 -2.289 -7.313) 8.140 3.588 ( -2.746 -2.289 7.313) 8.140 3.848 ( 5.071 -0.325 -6.649) 8.369 3.848 ( 5.071 -0.325 6.649) 8.369 4.065 ( 0.454 -2.869 -5.907) 6.582 4.065 ( 0.454 -2.869 5.907) 6.582 4.354 ( -5.978 -1.009 -1.026) 6.148 4.354 ( -5.978 -1.009 1.026) 6.148 4.634 ( 3.029 -0.432 -16.009) 16.299 4.634 ( 3.029 -0.432 16.009) 16.299 4.774 ( -4.433 1.264 -4.331) 6.325 4.774 ( -4.433 1.264 4.331) 6.325 5.052 ( 2.572 -0.412 -9.059) 9.426 5.052 ( 2.572 -0.412 9.059) 9.426 5.291 ( -6.046 1.517 -16.826) 17.943 5.291 ( -6.046 1.517 16.826) 17.943 6.177 ( 2.584 0.067 -4.903) 5.543 6.177 ( 2.584 0.067 4.903) 5.543 6.449 ( 1.610 0.976 -5.879) 6.173 6.449 ( 1.610 0.976 5.879) 6.173 6.637 ( 4.279 2.585 -8.396) 9.772 6.637 ( 4.279 2.585 8.396) 9.772 6.843 ( -5.131 0.743 -0.449) 5.204 6.843 ( -5.131 0.743 0.449) 5.204 7.327 ( 1.113 1.375 -4.264) 4.616 7.327 ( 1.113 1.375 4.264) 4.616 7.493 ( -0.888 -0.670 -2.143) 2.415 7.493 ( -0.888 -0.670 2.143) 2.415 7.525 ( -2.828 -2.390 -2.002) 4.209 7.525 ( -2.828 -2.390 2.002) 4.209 7.869 ( -2.862 -0.239 -4.257) 5.136 7.869 ( -2.862 -0.239 4.257) 5.136 8.077 ( 0.845 -0.894 -14.149) 14.202 8.077 ( 0.845 -0.894 14.149) 14.202 8.352 ( 1.683 -1.891 -6.679) 7.143 8.352 ( 1.683 -1.891 6.679) 7.143 8.663 ( -7.004 -0.831 -12.845) 14.654 8.663 ( -7.004 -0.831 12.845) 14.654 9.048 ( 1.416 -1.612 -4.616) 5.090 9.048 ( 1.416 -1.612 4.616) 5.090 9.207 ( -2.964 0.016 -6.569) 7.206 9.207 ( -2.964 0.016 6.569) 7.206 9.767 ( 3.226 1.707 -3.933) 5.366 9.767 ( 3.226 1.707 3.933) 5.366 10.158 ( 8.060 -3.042 -15.599) 17.820 10.158 ( 8.060 -3.042 15.599) 17.820 10.759 ( -6.582 -0.867 -5.019) 8.322 10.759 ( -6.582 -0.867 5.019) 8.322 11.086 ( 0.515 -1.311 -5.921) 6.086 11.086 ( 0.515 -1.311 5.921) 6.086 11.858 ( 2.791 0.668 -5.252) 5.985 11.858 ( 2.791 0.668 5.252) 5.985 12.520 ( 0.907 0.185 -2.182) 2.370 12.520 ( 0.907 0.185 2.182) 2.370 12.600 ( 1.781 -0.991 -2.165) 2.973 12.600 ( 1.781 -0.991 2.165) 2.973 12.800 ( -9.450 -0.480 -6.346) 11.393 12.800 ( -9.450 -0.480 6.346) 11.393 13.383 ( -8.516 -0.252 -1.839) 8.716 13.383 ( -8.516 -0.252 1.839) 8.716 13.722 ( -1.010 -0.165 -1.862) 2.125 13.722 ( -1.010 -0.165 1.862) 2.125 14.313 ( 2.244 3.100 -9.644) 10.375 14.313 ( 2.244 3.100 9.644) 10.375 15.351 ( 11.426 1.848 -7.246) 13.656 15.351 ( 11.426 1.848 7.246) 13.656 15.999 ( 2.685 0.862 -3.663) 4.622 15.999 ( 2.685 0.862 3.663) 4.622 ======================= Grid point 238 (73/75) ======================= q-point: (-0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( -0.000 7.787 -8.017) 11.176 0.995 ( -0.000 7.787 8.017) 11.176 1.026 ( -0.000 8.953 -11.210) 14.346 1.026 ( -0.000 8.953 11.210) 14.346 1.126 ( 0.000 -1.698 -4.101) 4.438 1.126 ( 0.000 -1.698 4.101) 4.438 1.396 ( 0.000 -0.471 -9.598) 9.610 1.396 ( 0.000 -0.471 9.598) 9.610 1.703 ( 0.000 -6.765 -4.498) 8.124 1.703 ( 0.000 -6.765 4.498) 8.124 1.771 ( -0.000 6.662 -5.696) 8.765 1.771 ( -0.000 6.662 5.696) 8.765 1.836 ( -0.000 2.229 -4.140) 4.702 1.836 ( -0.000 2.229 4.140) 4.702 1.868 ( -0.000 7.021 -4.893) 8.558 1.868 ( -0.000 7.021 4.893) 8.558 2.068 ( -0.000 1.272 -2.678) 2.964 2.068 ( -0.000 1.272 2.678) 2.964 2.149 ( 0.000 -2.443 -4.609) 5.216 2.149 ( 0.000 -2.443 4.609) 5.216 2.242 ( -0.000 0.784 -2.168) 2.305 2.242 ( -0.000 0.784 2.168) 2.305 2.333 ( 0.000 -1.974 -5.592) 5.930 2.333 ( 0.000 -1.974 5.592) 5.930 2.440 ( 0.000 -1.787 -1.560) 2.372 2.440 ( 0.000 -1.787 1.560) 2.372 2.799 ( 0.000 -1.545 -1.293) 2.015 2.799 ( 0.000 -1.545 1.293) 2.015 2.804 ( -0.000 0.274 -3.682) 3.692 2.804 ( -0.000 0.274 3.682) 3.692 3.043 ( -0.000 0.249 -2.801) 2.812 3.043 ( -0.000 0.249 2.801) 2.812 3.398 ( 0.000 -1.904 -1.224) 2.264 3.398 ( 0.000 -1.904 1.224) 2.264 3.562 ( 0.000 -2.020 -9.776) 9.982 3.562 ( 0.000 -2.020 9.776) 9.982 3.907 ( 0.000 -0.118 -4.110) 4.112 3.907 ( 0.000 -0.118 4.110) 4.112 4.138 ( 0.000 -4.377 -10.414) 11.296 4.138 ( 0.000 -4.377 10.414) 11.296 4.265 ( 0.000 -0.484 -4.146) 4.174 4.265 ( 0.000 -0.484 4.146) 4.174 4.682 ( 0.000 -1.554 -22.335) 22.389 4.682 ( 0.000 -1.554 22.335) 22.389 4.706 ( -0.000 2.138 -2.447) 3.250 4.706 ( -0.000 2.138 2.447) 3.250 5.093 ( -0.000 0.216 -10.323) 10.326 5.093 ( -0.000 0.216 10.323) 10.326 5.201 ( -0.000 2.870 -18.830) 19.047 5.201 ( -0.000 2.870 18.830) 19.047 6.204 ( -0.000 0.119 -7.016) 7.017 6.204 ( -0.000 0.119 7.016) 7.017 6.439 ( -0.000 1.757 -11.129) 11.267 6.439 ( -0.000 1.757 11.129) 11.267 6.678 ( -0.000 3.883 -8.952) 9.758 6.678 ( -0.000 3.883 8.952) 9.758 6.771 ( -0.000 0.132 -0.839) 0.849 6.771 ( -0.000 0.132 0.839) 0.849 7.329 ( -0.000 1.607 -4.347) 4.634 7.329 ( -0.000 1.607 4.347) 4.634 7.471 ( 0.000 -0.073 -1.541) 1.542 7.471 ( 0.000 -0.073 1.541) 1.542 7.541 ( 0.000 -3.643 -4.747) 5.983 7.541 ( 0.000 -3.643 4.747) 5.983 7.836 ( 0.000 -0.240 -5.947) 5.952 7.836 ( 0.000 -0.240 5.947) 5.952 8.102 ( 0.000 -1.735 -14.760) 14.861 8.102 ( 0.000 -1.735 14.760) 14.861 8.374 ( -0.000 0.017 -6.051) 6.052 8.374 ( -0.000 0.017 6.051) 6.052 8.611 ( 0.000 -3.993 -12.927) 13.530 8.611 ( 0.000 -3.993 12.927) 13.530 9.079 ( 0.000 -1.351 -5.324) 5.493 9.079 ( 0.000 -1.351 5.324) 5.493 9.170 ( 0.000 -0.079 -6.159) 6.160 9.170 ( 0.000 -0.079 6.159) 6.160 9.783 ( -0.000 2.136 -5.265) 5.682 9.783 ( -0.000 2.136 5.265) 5.682 10.312 ( 0.000 -7.303 -23.730) 24.828 10.312 ( 0.000 -7.303 23.730) 24.828 10.669 ( 0.000 -0.049 -11.627) 11.627 10.669 ( 0.000 -0.049 11.627) 11.627 11.107 ( 0.000 -2.188 -6.925) 7.263 11.107 ( 0.000 -2.188 6.925) 7.263 11.880 ( -0.000 1.331 -4.818) 4.999 11.880 ( -0.000 1.331 4.818) 4.999 12.527 ( -0.000 0.089 -1.973) 1.975 12.527 ( -0.000 0.089 1.973) 1.975 12.661 ( 0.000 -2.760 -2.318) 3.604 12.661 ( 0.000 -2.760 2.318) 3.604 12.678 ( -0.000 0.096 -7.560) 7.560 12.678 ( -0.000 0.096 7.560) 7.560 13.295 ( -0.000 0.031 -1.648) 1.649 13.295 ( -0.000 0.031 1.648) 1.649 13.719 ( 0.000 -0.586 -2.034) 2.117 13.719 ( 0.000 -0.586 2.034) 2.117 14.301 ( -0.000 4.920 -10.327) 11.439 14.301 ( -0.000 4.920 10.327) 11.439 15.440 ( -0.000 3.701 -11.843) 12.408 15.440 ( -0.000 3.701 11.843) 12.408 16.017 ( -0.000 1.272 -4.352) 4.534 16.017 ( -0.000 1.272 4.352) 4.534 ======================= Grid point 252 (74/75) ======================= q-point: (-0.56 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( -0.184 0.000 -1.049) 1.065 1.082 ( -0.184 0.000 1.049) 1.065 1.109 ( -0.760 0.000 -4.025) 4.096 1.109 ( -0.760 0.000 4.025) 4.096 1.282 ( -10.016 0.000 -2.524) 10.329 1.282 ( -10.016 0.000 2.524) 10.329 1.417 ( -3.272 0.000 -10.537) 11.034 1.417 ( -3.272 0.000 10.537) 11.034 1.573 ( 1.724 -0.000 -1.436) 2.244 1.573 ( 1.724 -0.000 1.436) 2.244 1.846 ( 0.744 -0.000 -0.462) 0.875 1.846 ( 0.744 -0.000 0.462) 0.875 1.868 ( 0.197 -0.000 -0.732) 0.758 1.868 ( 0.197 -0.000 0.732) 0.758 2.008 ( -4.226 0.000 -1.947) 4.653 2.008 ( -4.226 0.000 1.947) 4.653 2.061 ( 1.377 -0.000 -3.179) 3.465 2.061 ( 1.377 -0.000 3.179) 3.465 2.144 ( -2.485 0.000 -0.825) 2.618 2.144 ( -2.485 0.000 0.825) 2.618 2.263 ( -0.717 0.000 -2.657) 2.752 2.263 ( -0.717 0.000 2.657) 2.752 2.304 ( 0.508 -0.000 -6.831) 6.850 2.304 ( 0.508 -0.000 6.831) 6.850 2.439 ( -1.060 0.000 -1.375) 1.736 2.439 ( -1.060 0.000 1.375) 1.736 2.734 ( 1.746 -0.000 -0.437) 1.800 2.734 ( 1.746 -0.000 0.437) 1.800 2.946 ( -11.341 0.000 -3.870) 11.983 2.946 ( -11.341 0.000 3.870) 11.983 3.086 ( -3.888 0.000 -2.950) 4.880 3.086 ( -3.888 0.000 2.950) 4.880 3.367 ( 0.263 -0.000 -0.025) 0.264 3.367 ( 0.263 -0.000 0.025) 0.264 3.569 ( -2.100 0.000 -7.840) 8.116 3.569 ( -2.100 0.000 7.840) 8.116 3.844 ( 5.159 -0.000 -8.650) 10.071 3.844 ( 5.159 -0.000 8.650) 10.071 4.040 ( -0.255 0.000 -7.712) 7.716 4.040 ( -0.255 0.000 7.712) 7.716 4.346 ( -6.043 0.000 -1.336) 6.189 4.346 ( -6.043 0.000 1.336) 6.189 4.631 ( 2.914 -0.000 -16.611) 16.865 4.631 ( 2.914 -0.000 16.611) 16.865 4.785 ( -4.501 0.000 -4.291) 6.219 4.785 ( -4.501 0.000 4.291) 6.219 5.049 ( 3.092 -0.000 -9.088) 9.600 5.049 ( 3.092 -0.000 9.088) 9.600 5.302 ( -5.874 0.000 -16.662) 17.667 5.302 ( -5.874 0.000 16.662) 17.667 6.178 ( 2.603 -0.000 -4.999) 5.636 6.178 ( 2.603 -0.000 4.999) 5.636 6.458 ( 2.058 -0.000 -5.510) 5.882 6.458 ( 2.058 -0.000 5.510) 5.882 6.657 ( 4.236 -0.000 -8.654) 9.635 6.657 ( 4.236 -0.000 8.654) 9.635 6.849 ( -5.277 0.000 -0.713) 5.325 6.849 ( -5.277 0.000 0.713) 5.325 7.340 ( 1.232 -0.000 -4.182) 4.360 7.340 ( 1.232 -0.000 4.182) 4.360 7.482 ( 0.102 -0.000 -3.392) 3.393 7.482 ( 0.102 -0.000 3.392) 3.393 7.510 ( -3.929 0.000 -0.750) 4.000 7.510 ( -3.929 0.000 0.750) 4.000 7.867 ( -2.814 0.000 -3.741) 4.681 7.867 ( -2.814 0.000 3.741) 4.681 8.069 ( 0.387 -0.000 -13.940) 13.945 8.069 ( 0.387 -0.000 13.940) 13.945 8.337 ( 2.678 -0.000 -7.453) 7.919 8.337 ( 2.678 -0.000 7.453) 7.919 8.658 ( -7.794 0.000 -13.467) 15.560 8.658 ( -7.794 0.000 13.467) 15.560 9.033 ( 1.621 -0.000 -4.688) 4.960 9.033 ( 1.621 -0.000 4.688) 4.960 9.207 ( -3.035 0.000 -6.584) 7.250 9.207 ( -3.035 0.000 6.584) 7.250 9.781 ( 3.232 -0.000 -2.867) 4.321 9.781 ( 3.232 -0.000 2.867) 4.321 10.134 ( 7.299 -0.000 -16.273) 17.835 10.134 ( 7.299 -0.000 16.273) 17.835 10.753 ( -6.363 0.000 -5.526) 8.427 10.753 ( -6.363 0.000 5.526) 8.427 11.075 ( 0.328 -0.000 -5.891) 5.900 11.075 ( 0.328 -0.000 5.891) 5.900 11.863 ( 2.881 -0.000 -5.276) 6.011 11.863 ( 2.881 -0.000 5.276) 6.011 12.523 ( 1.146 -0.000 -1.719) 2.065 12.523 ( 1.146 -0.000 1.719) 2.065 12.592 ( 1.605 -0.000 -1.141) 1.969 12.592 ( 1.605 -0.000 1.141) 1.969 12.797 ( -9.534 0.000 -6.244) 11.396 12.797 ( -9.534 0.000 6.244) 11.396 13.381 ( -8.359 0.000 -1.776) 8.545 13.381 ( -8.359 0.000 1.776) 8.545 13.721 ( -1.228 0.000 -1.865) 2.233 13.721 ( -1.228 0.000 1.865) 2.233 14.338 ( 2.734 -0.000 -9.547) 9.931 14.338 ( 2.734 -0.000 9.547) 9.931 15.363 ( 11.483 -0.000 -2.012) 11.658 15.363 ( 11.483 -0.000 2.012) 11.658 16.005 ( 2.588 -0.000 -3.571) 4.411 16.005 ( 2.588 -0.000 3.571) 4.411 ======================= Grid point 256 (75/75) ======================= q-point: (-0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( -0.000 3.007 -3.904) 4.927 1.081 ( -0.000 3.007 3.904) 4.927 1.108 ( 0.000 -0.679 -4.018) 4.075 1.108 ( 0.000 -0.679 4.018) 4.075 1.139 ( -0.000 4.666 -6.756) 8.211 1.139 ( -0.000 4.666 6.756) 8.211 1.388 ( 0.000 -0.390 -10.584) 10.591 1.388 ( 0.000 -0.390 10.584) 10.591 1.613 ( 0.000 -3.907 -2.496) 4.636 1.613 ( 0.000 -3.907 2.496) 4.636 1.841 ( -0.000 2.336 -1.851) 2.981 1.841 ( -0.000 2.336 1.851) 2.981 1.865 ( -0.000 1.148 -2.822) 3.047 1.865 ( -0.000 1.148 2.822) 3.047 1.949 ( -0.000 2.925 -1.994) 3.540 1.949 ( -0.000 2.925 1.994) 3.540 2.081 ( -0.000 0.057 -2.433) 2.434 2.081 ( -0.000 0.057 2.433) 2.434 2.119 ( 0.000 -1.182 -5.328) 5.457 2.119 ( 0.000 -1.182 5.328) 5.457 2.253 ( -0.000 0.745 -0.831) 1.116 2.253 ( -0.000 0.745 0.831) 1.116 2.312 ( 0.000 -0.951 -7.297) 7.359 2.312 ( 0.000 -0.951 7.297) 7.359 2.435 ( -0.000 0.453 -1.593) 1.656 2.435 ( -0.000 0.453 1.593) 1.656 2.784 ( 0.000 -0.466 -0.947) 1.055 2.784 ( 0.000 -0.466 0.947) 1.055 2.807 ( -0.000 0.103 -3.802) 3.804 2.807 ( -0.000 0.103 3.802) 3.804 3.046 ( -0.000 0.121 -2.637) 2.640 3.046 ( -0.000 0.121 2.637) 2.640 3.376 ( 0.000 -0.781 -1.047) 1.306 3.376 ( 0.000 -0.781 1.047) 1.306 3.540 ( 0.000 -0.730 -10.868) 10.892 3.540 ( 0.000 -0.730 10.868) 10.892 3.905 ( 0.000 -0.052 -3.765) 3.766 3.905 ( 0.000 -0.052 3.765) 3.766 4.073 ( 0.000 -2.843 -16.280) 16.527 4.073 ( 0.000 -2.843 16.280) 16.527 4.261 ( 0.000 -0.130 -4.278) 4.280 4.261 ( 0.000 -0.130 4.278) 4.280 4.668 ( 0.000 -0.431 -22.283) 22.287 4.668 ( 0.000 -0.431 22.283) 22.287 4.729 ( -0.000 0.789 -2.499) 2.621 4.729 ( -0.000 0.789 2.499) 2.621 5.095 ( -0.000 0.087 -10.424) 10.425 5.095 ( -0.000 0.087 10.424) 10.425 5.230 ( -0.000 0.881 -18.474) 18.495 5.230 ( -0.000 0.881 18.474) 18.495 6.205 ( -0.000 0.044 -7.122) 7.122 6.205 ( -0.000 0.044 7.122) 7.122 6.463 ( -0.000 1.023 -10.677) 10.726 6.463 ( -0.000 1.023 10.677) 10.726 6.721 ( -0.000 1.464 -10.372) 10.475 6.721 ( -0.000 1.464 10.372) 10.475 6.773 ( -0.000 0.054 -0.993) 0.994 6.773 ( -0.000 0.054 0.993) 0.994 7.351 ( -0.000 0.967 -3.859) 3.978 7.351 ( -0.000 0.967 3.859) 3.978 7.470 ( 0.000 -0.029 -1.499) 1.499 7.470 ( 0.000 -0.029 1.499) 1.499 7.495 ( 0.000 -1.864 -2.264) 2.932 7.495 ( 0.000 -1.864 2.264) 2.932 7.833 ( 0.000 -0.096 -6.000) 6.000 7.833 ( 0.000 -0.096 6.000) 6.000 8.081 ( 0.000 -0.777 -15.499) 15.518 8.081 ( 0.000 -0.777 15.499) 15.518 8.374 ( -0.000 0.007 -6.157) 6.157 8.374 ( -0.000 0.007 6.157) 6.157 8.574 ( 0.000 -1.083 -15.735) 15.772 8.574 ( 0.000 -1.083 15.735) 15.772 9.059 ( 0.000 -0.890 -5.794) 5.862 9.059 ( 0.000 -0.890 5.794) 5.862 9.169 ( 0.000 -0.032 -6.094) 6.094 9.169 ( 0.000 -0.032 6.094) 6.094 9.809 ( -0.000 0.956 -3.619) 3.743 9.809 ( -0.000 0.956 3.619) 3.743 10.239 ( 0.000 -2.298 -23.551) 23.663 10.239 ( 0.000 -2.298 23.551) 23.663 10.668 ( 0.000 -0.020 -11.563) 11.563 10.668 ( 0.000 -0.020 11.563) 11.563 11.084 ( 0.000 -0.818 -6.934) 6.982 11.084 ( 0.000 -0.818 6.934) 6.982 11.892 ( -0.000 0.314 -5.032) 5.042 11.892 ( -0.000 0.314 5.032) 5.042 12.532 ( -0.000 0.365 -1.416) 1.462 12.532 ( -0.000 0.365 1.416) 1.462 12.635 ( 0.000 -0.816 -0.496) 0.955 12.635 ( 0.000 -0.816 0.496) 0.955 12.679 ( -0.000 0.039 -7.568) 7.568 12.679 ( -0.000 0.039 7.568) 7.568 13.296 ( -0.000 0.012 -1.669) 1.669 13.296 ( -0.000 0.012 1.669) 1.669 13.713 ( 0.000 -0.182 -1.874) 1.883 13.713 ( 0.000 -0.182 1.874) 1.883 14.356 ( -0.000 1.929 -9.875) 10.062 14.356 ( -0.000 1.929 9.875) 10.062 15.471 ( -0.000 0.757 -5.573) 5.624 15.471 ( -0.000 0.757 5.573) 5.624 16.029 ( -0.000 0.314 -4.342) 4.354 16.029 ( -0.000 0.314 4.342) 4.354 =================== 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 3/33048 10.0 72.327 75.296 73.154 0.000 0.000 -0.000 3/33048 20.0 14.772 10.566 10.808 0.000 0.000 -0.000 3/33048 30.0 7.318 4.743 5.052 0.000 0.000 -0.000 3/33048 40.0 4.742 2.958 3.284 0.000 0.000 -0.000 3/33048 50.0 3.513 2.138 2.507 0.000 0.000 -0.000 3/33048 60.0 2.811 1.679 2.091 0.000 0.000 -0.000 3/33048 70.0 2.359 1.387 1.834 0.000 0.000 -0.000 3/33048 80.0 2.043 1.186 1.654 0.000 0.000 -0.000 3/33048 90.0 1.808 1.039 1.516 0.000 0.000 -0.000 3/33048 100.0 1.625 0.927 1.404 0.000 0.000 -0.000 3/33048 110.0 1.478 0.838 1.310 0.000 0.000 -0.000 3/33048 120.0 1.357 0.766 1.228 0.000 0.000 -0.000 3/33048 130.0 1.256 0.706 1.156 0.000 0.000 -0.000 3/33048 140.0 1.169 0.655 1.092 0.000 0.000 -0.000 3/33048 150.0 1.094 0.611 1.034 0.000 0.000 -0.000 3/33048 160.0 1.029 0.574 0.982 0.000 0.000 -0.000 3/33048 170.0 0.971 0.540 0.935 0.000 0.000 -0.000 3/33048 180.0 0.919 0.511 0.892 0.000 0.000 -0.000 3/33048 190.0 0.873 0.485 0.852 0.000 0.000 -0.000 3/33048 200.0 0.831 0.461 0.816 0.000 0.000 -0.000 3/33048 210.0 0.794 0.440 0.782 0.000 0.000 -0.000 3/33048 220.0 0.759 0.420 0.752 0.000 0.000 -0.000 3/33048 230.0 0.728 0.402 0.723 0.000 0.000 -0.000 3/33048 240.0 0.699 0.386 0.696 0.000 0.000 -0.000 3/33048 250.0 0.672 0.371 0.671 0.000 0.000 -0.000 3/33048 260.0 0.647 0.357 0.648 0.000 0.000 -0.000 3/33048 270.0 0.624 0.344 0.627 0.000 0.000 -0.000 3/33048 280.0 0.603 0.332 0.606 0.000 0.000 -0.000 3/33048 290.0 0.583 0.321 0.587 0.000 0.000 -0.000 3/33048 300.0 0.564 0.311 0.569 0.000 0.000 -0.000 3/33048 310.0 0.546 0.301 0.552 0.000 0.000 -0.000 3/33048 320.0 0.530 0.292 0.536 0.000 0.000 -0.000 3/33048 330.0 0.514 0.283 0.521 0.000 0.000 -0.000 3/33048 340.0 0.500 0.275 0.507 0.000 0.000 -0.000 3/33048 350.0 0.486 0.267 0.493 0.000 0.000 -0.000 3/33048 360.0 0.473 0.260 0.480 0.000 0.000 -0.000 3/33048 370.0 0.460 0.253 0.468 0.000 0.000 -0.000 3/33048 380.0 0.448 0.247 0.457 0.000 0.000 -0.000 3/33048 390.0 0.437 0.240 0.445 0.000 0.000 -0.000 3/33048 400.0 0.427 0.234 0.435 0.000 0.000 -0.000 3/33048 410.0 0.416 0.229 0.425 0.000 0.000 -0.000 3/33048 420.0 0.407 0.224 0.415 0.000 0.000 -0.000 3/33048 430.0 0.397 0.218 0.406 0.000 0.000 -0.000 3/33048 440.0 0.389 0.214 0.397 0.000 0.000 -0.000 3/33048 450.0 0.380 0.209 0.389 0.000 0.000 -0.000 3/33048 460.0 0.372 0.204 0.381 0.000 0.000 -0.000 3/33048 470.0 0.364 0.200 0.373 0.000 0.000 -0.000 3/33048 480.0 0.357 0.196 0.365 0.000 0.000 -0.000 3/33048 490.0 0.350 0.192 0.358 0.000 0.000 -0.000 3/33048 500.0 0.343 0.188 0.351 0.000 0.000 -0.000 3/33048 510.0 0.336 0.185 0.345 0.000 0.000 -0.000 3/33048 520.0 0.330 0.181 0.338 0.000 0.000 -0.000 3/33048 530.0 0.324 0.178 0.332 0.000 0.000 -0.000 3/33048 540.0 0.318 0.175 0.326 0.000 0.000 -0.000 3/33048 550.0 0.312 0.171 0.320 0.000 0.000 -0.000 3/33048 560.0 0.307 0.168 0.315 0.000 0.000 -0.000 3/33048 570.0 0.301 0.165 0.309 0.000 0.000 -0.000 3/33048 580.0 0.296 0.163 0.304 0.000 0.000 -0.000 3/33048 590.0 0.291 0.160 0.299 0.000 0.000 -0.000 3/33048 600.0 0.287 0.157 0.294 0.000 0.000 -0.000 3/33048 610.0 0.282 0.155 0.290 0.000 0.000 -0.000 3/33048 620.0 0.277 0.152 0.285 0.000 0.000 -0.000 3/33048 630.0 0.273 0.150 0.281 0.000 0.000 -0.000 3/33048 640.0 0.269 0.148 0.276 0.000 0.000 -0.000 3/33048 650.0 0.265 0.145 0.272 0.000 0.000 -0.000 3/33048 660.0 0.261 0.143 0.268 0.000 0.000 -0.000 3/33048 670.0 0.257 0.141 0.264 0.000 0.000 -0.000 3/33048 680.0 0.253 0.139 0.260 0.000 0.000 -0.000 3/33048 690.0 0.250 0.137 0.257 0.000 0.000 -0.000 3/33048 700.0 0.246 0.135 0.253 0.000 0.000 -0.000 3/33048 710.0 0.243 0.133 0.250 0.000 0.000 -0.000 3/33048 720.0 0.239 0.131 0.246 0.000 0.000 -0.000 3/33048 730.0 0.236 0.129 0.243 0.000 0.000 -0.000 3/33048 740.0 0.233 0.128 0.240 0.000 0.000 -0.000 3/33048 750.0 0.230 0.126 0.237 0.000 0.000 -0.000 3/33048 760.0 0.227 0.124 0.233 0.000 0.000 -0.000 3/33048 770.0 0.224 0.123 0.231 0.000 0.000 -0.000 3/33048 780.0 0.221 0.121 0.228 0.000 0.000 -0.000 3/33048 790.0 0.218 0.120 0.225 0.000 0.000 -0.000 3/33048 800.0 0.216 0.118 0.222 0.000 0.000 -0.000 3/33048 810.0 0.213 0.117 0.219 0.000 0.000 -0.000 3/33048 820.0 0.210 0.115 0.217 0.000 0.000 -0.000 3/33048 830.0 0.208 0.114 0.214 0.000 0.000 -0.000 3/33048 840.0 0.205 0.113 0.212 0.000 0.000 -0.000 3/33048 850.0 0.203 0.111 0.209 0.000 0.000 -0.000 3/33048 860.0 0.201 0.110 0.207 0.000 0.000 -0.000 3/33048 870.0 0.198 0.109 0.204 0.000 0.000 -0.000 3/33048 880.0 0.196 0.108 0.202 0.000 0.000 -0.000 3/33048 890.0 0.194 0.106 0.200 0.000 0.000 -0.000 3/33048 900.0 0.192 0.105 0.198 0.000 0.000 -0.000 3/33048 910.0 0.190 0.104 0.196 0.000 0.000 -0.000 3/33048 920.0 0.188 0.103 0.193 0.000 0.000 -0.000 3/33048 930.0 0.186 0.102 0.191 0.000 0.000 -0.000 3/33048 940.0 0.184 0.101 0.189 0.000 0.000 -0.000 3/33048 950.0 0.182 0.100 0.187 0.000 0.000 -0.000 3/33048 960.0 0.180 0.099 0.185 0.000 0.000 -0.000 3/33048 970.0 0.178 0.098 0.184 0.000 0.000 -0.000 3/33048 980.0 0.176 0.097 0.182 0.000 0.000 -0.000 3/33048 990.0 0.174 0.096 0.180 0.000 0.000 -0.000 3/33048 1000.0 0.173 0.095 0.178 0.000 0.000 -0.000 3/33048 Thermal conductivity related properties were written into "kappa-m994.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:02:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|