----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 18:54:03]------------------------- Compiled with OpenMP support (max 48 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.514376539999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.162463429999999 0.000000000000000 c 0.000000000000000 0.000000000000000 7.530701849999998 Atomic positions (fractional): *1 S 0.00000000000000 0.24972437081929 0.25000000000000 32.065 2 S 0.50000000000000 0.25027562918071 0.75000000000000 32.065 3 S 0.00000000000000 0.75027562918071 0.75000000000000 32.065 4 S 0.50000000000000 0.74972437081929 0.25000000000000 32.065 *5 S 0.63622300462751 0.60863687780187 0.88714137208870 32.065 6 S 0.13622300462751 0.89136312219813 0.11285862791131 32.065 7 S 0.86377699537249 0.89136312219813 0.38714137208869 32.065 8 S 0.36377699537249 0.60863687780187 0.61285862791130 32.065 9 S 0.36377699537249 0.39136312219813 0.11285862791131 32.065 10 S 0.86377699537249 0.10863687780187 0.88714137208870 32.065 11 S 0.13622300462751 0.10863687780187 0.61285862791130 32.065 12 S 0.63622300462751 0.39136312219813 0.38714137208869 32.065 *13 S 0.10210881925538 0.60282603120836 0.35231911326985 32.065 14 S 0.60210881925538 0.89717396879164 0.64768088673015 32.065 15 S 0.39789118074462 0.89717396879164 0.85231911326985 32.065 16 S 0.89789118074462 0.60282603120836 0.14768088673015 32.065 17 S 0.89789118074462 0.39717396879164 0.64768088673015 32.065 18 S 0.39789118074462 0.10282603120836 0.35231911326985 32.065 19 S 0.60210881925538 0.10282603120836 0.14768088673015 32.065 20 S 0.10210881925538 0.39717396879164 0.85231911326985 32.065 *21 Th 0.76401436482233 0.14493692632123 0.51529772534491 232.038 22 Th 0.26401436482233 0.35506307367877 0.48470227465509 232.038 23 Th 0.73598563517767 0.35506307367877 0.01529772534491 232.038 24 Th 0.23598563517766 0.14493692632123 0.98470227465509 232.038 25 Th 0.23598563517766 0.85506307367877 0.48470227465509 232.038 26 Th 0.73598563517767 0.64493692632123 0.51529772534491 232.038 27 Th 0.26401436482233 0.64493692632123 0.98470227465509 232.038 28 Th 0.76401436482233 0.85506307367877 0.01529772534491 232.038 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.514376539999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.162463429999999 0.000000000000000 c 0.000000000000000 0.000000000000000 7.530701849999998 Atomic positions (fractional): *1 S 0.00000000000000 0.24972437081929 0.25000000000000 32.065 > 1 2 S 0.50000000000000 0.25027562918071 0.75000000000000 32.065 > 2 3 S 0.00000000000000 0.75027562918071 0.75000000000000 32.065 > 3 4 S 0.50000000000000 0.74972437081929 0.25000000000000 32.065 > 4 *5 S 0.63622300462751 0.60863687780187 0.88714137208870 32.065 > 5 6 S 0.13622300462751 0.89136312219813 0.11285862791131 32.065 > 6 7 S 0.86377699537249 0.89136312219813 0.38714137208869 32.065 > 7 8 S 0.36377699537249 0.60863687780187 0.61285862791130 32.065 > 8 9 S 0.36377699537249 0.39136312219813 0.11285862791131 32.065 > 9 10 S 0.86377699537249 0.10863687780187 0.88714137208870 32.065 > 10 11 S 0.13622300462751 0.10863687780187 0.61285862791130 32.065 > 11 12 S 0.63622300462751 0.39136312219813 0.38714137208869 32.065 > 12 *13 S 0.10210881925538 0.60282603120836 0.35231911326985 32.065 > 13 14 S 0.60210881925538 0.89717396879164 0.64768088673015 32.065 > 14 15 S 0.39789118074462 0.89717396879164 0.85231911326985 32.065 > 15 16 S 0.89789118074462 0.60282603120836 0.14768088673015 32.065 > 16 17 S 0.89789118074462 0.39717396879164 0.64768088673015 32.065 > 17 18 S 0.39789118074462 0.10282603120836 0.35231911326985 32.065 > 18 19 S 0.60210881925538 0.10282603120836 0.14768088673015 32.065 > 19 20 S 0.10210881925538 0.39717396879164 0.85231911326985 32.065 > 20 *21 Th 0.76401436482233 0.14493692632123 0.51529772534491 232.038 > 21 22 Th 0.26401436482233 0.35506307367877 0.48470227465509 232.038 > 22 23 Th 0.73598563517767 0.35506307367877 0.01529772534491 232.038 > 23 24 Th 0.23598563517766 0.14493692632123 0.98470227465509 232.038 > 24 25 Th 0.23598563517766 0.85506307367877 0.48470227465509 232.038 > 25 26 Th 0.73598563517767 0.64493692632123 0.51529772534491 232.038 > 26 27 Th 0.26401436482233 0.64493692632123 0.98470227465509 232.038 > 27 28 Th 0.76401436482233 0.85506307367877 0.01529772534491 232.038 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.028753079999998 0.000000000000000 0.000000000000000 b 0.000000000000000 10.162463429999999 0.000000000000000 c 0.000000000000000 0.000000000000000 15.061403699999996 Atomic positions (fractional): *1 S 0.00000000000000 0.24972437081929 0.12500000000000 32.065 > 1 2 S 0.50000000000000 0.24972437081929 0.12500000000000 32.065 > 1 3 S 0.00000000000000 0.24972437081929 0.62500000000000 32.065 > 1 4 S 0.50000000000000 0.24972437081929 0.62500000000000 32.065 > 1 5 S 0.25000000000000 0.25027562918071 0.37500000000000 32.065 > 2 6 S 0.75000000000000 0.25027562918071 0.37500000000000 32.065 > 2 7 S 0.25000000000000 0.25027562918071 0.87500000000000 32.065 > 2 8 S 0.75000000000000 0.25027562918071 0.87500000000000 32.065 > 2 9 S 0.00000000000000 0.75027562918071 0.37500000000000 32.065 > 3 10 S 0.50000000000000 0.75027562918071 0.37500000000000 32.065 > 3 11 S 0.00000000000000 0.75027562918071 0.87500000000000 32.065 > 3 12 S 0.50000000000000 0.75027562918071 0.87500000000000 32.065 > 3 13 S 0.25000000000000 0.74972437081929 0.12500000000000 32.065 > 4 14 S 0.75000000000000 0.74972437081929 0.12500000000000 32.065 > 4 15 S 0.25000000000000 0.74972437081929 0.62500000000000 32.065 > 4 16 S 0.75000000000000 0.74972437081929 0.62500000000000 32.065 > 4 *17 S 0.31811150231375 0.60863687780187 0.44357068604435 32.065 > 5 18 S 0.81811150231375 0.60863687780187 0.44357068604435 32.065 > 5 19 S 0.31811150231375 0.60863687780187 0.94357068604435 32.065 > 5 20 S 0.81811150231375 0.60863687780187 0.94357068604435 32.065 > 5 21 S 0.06811150231375 0.89136312219813 0.05642931395565 32.065 > 6 22 S 0.56811150231375 0.89136312219813 0.05642931395565 32.065 > 6 23 S 0.06811150231375 0.89136312219813 0.55642931395565 32.065 > 6 24 S 0.56811150231375 0.89136312219813 0.55642931395565 32.065 > 6 25 S 0.43188849768625 0.89136312219813 0.19357068604435 32.065 > 7 26 S 0.93188849768625 0.89136312219813 0.19357068604435 32.065 > 7 27 S 0.43188849768625 0.89136312219813 0.69357068604435 32.065 > 7 28 S 0.93188849768625 0.89136312219813 0.69357068604435 32.065 > 7 29 S 0.18188849768625 0.60863687780187 0.30642931395565 32.065 > 8 30 S 0.68188849768625 0.60863687780187 0.30642931395565 32.065 > 8 31 S 0.18188849768625 0.60863687780187 0.80642931395565 32.065 > 8 32 S 0.68188849768625 0.60863687780187 0.80642931395565 32.065 > 8 33 S 0.18188849768625 0.39136312219813 0.05642931395565 32.065 > 9 34 S 0.68188849768625 0.39136312219813 0.05642931395565 32.065 > 9 35 S 0.18188849768625 0.39136312219813 0.55642931395565 32.065 > 9 36 S 0.68188849768625 0.39136312219813 0.55642931395565 32.065 > 9 37 S 0.43188849768625 0.10863687780187 0.44357068604435 32.065 > 10 38 S 0.93188849768625 0.10863687780187 0.44357068604435 32.065 > 10 39 S 0.43188849768625 0.10863687780187 0.94357068604435 32.065 > 10 40 S 0.93188849768625 0.10863687780187 0.94357068604435 32.065 > 10 41 S 0.06811150231375 0.10863687780187 0.30642931395565 32.065 > 11 42 S 0.56811150231375 0.10863687780187 0.30642931395565 32.065 > 11 43 S 0.06811150231375 0.10863687780187 0.80642931395565 32.065 > 11 44 S 0.56811150231375 0.10863687780187 0.80642931395565 32.065 > 11 45 S 0.31811150231375 0.39136312219813 0.19357068604435 32.065 > 12 46 S 0.81811150231375 0.39136312219813 0.19357068604435 32.065 > 12 47 S 0.31811150231375 0.39136312219813 0.69357068604435 32.065 > 12 48 S 0.81811150231375 0.39136312219813 0.69357068604435 32.065 > 12 *49 S 0.05105440962769 0.60282603120836 0.17615955663493 32.065 > 13 50 S 0.55105440962769 0.60282603120836 0.17615955663493 32.065 > 13 51 S 0.05105440962769 0.60282603120836 0.67615955663493 32.065 > 13 52 S 0.55105440962769 0.60282603120836 0.67615955663493 32.065 > 13 53 S 0.30105440962769 0.89717396879164 0.32384044336507 32.065 > 14 54 S 0.80105440962769 0.89717396879164 0.32384044336507 32.065 > 14 55 S 0.30105440962769 0.89717396879164 0.82384044336507 32.065 > 14 56 S 0.80105440962769 0.89717396879164 0.82384044336507 32.065 > 14 57 S 0.19894559037231 0.89717396879164 0.42615955663493 32.065 > 15 58 S 0.69894559037231 0.89717396879164 0.42615955663493 32.065 > 15 59 S 0.19894559037231 0.89717396879164 0.92615955663493 32.065 > 15 60 S 0.69894559037231 0.89717396879164 0.92615955663493 32.065 > 15 61 S 0.44894559037231 0.60282603120836 0.07384044336507 32.065 > 16 62 S 0.94894559037231 0.60282603120836 0.07384044336507 32.065 > 16 63 S 0.44894559037231 0.60282603120836 0.57384044336507 32.065 > 16 64 S 0.94894559037231 0.60282603120836 0.57384044336507 32.065 > 16 65 S 0.44894559037231 0.39717396879164 0.32384044336507 32.065 > 17 66 S 0.94894559037231 0.39717396879164 0.32384044336507 32.065 > 17 67 S 0.44894559037231 0.39717396879164 0.82384044336507 32.065 > 17 68 S 0.94894559037231 0.39717396879164 0.82384044336507 32.065 > 17 69 S 0.19894559037231 0.10282603120836 0.17615955663493 32.065 > 18 70 S 0.69894559037231 0.10282603120836 0.17615955663493 32.065 > 18 71 S 0.19894559037231 0.10282603120836 0.67615955663493 32.065 > 18 72 S 0.69894559037231 0.10282603120836 0.67615955663493 32.065 > 18 73 S 0.30105440962769 0.10282603120836 0.07384044336507 32.065 > 19 74 S 0.80105440962769 0.10282603120836 0.07384044336507 32.065 > 19 75 S 0.30105440962769 0.10282603120836 0.57384044336507 32.065 > 19 76 S 0.80105440962769 0.10282603120836 0.57384044336507 32.065 > 19 77 S 0.05105440962769 0.39717396879164 0.42615955663493 32.065 > 20 78 S 0.55105440962769 0.39717396879164 0.42615955663493 32.065 > 20 79 S 0.05105440962769 0.39717396879164 0.92615955663493 32.065 > 20 80 S 0.55105440962769 0.39717396879164 0.92615955663493 32.065 > 20 *81 Th 0.38200718241117 0.14493692632123 0.25764886267245 232.038 > 21 82 Th 0.88200718241117 0.14493692632123 0.25764886267245 232.038 > 21 83 Th 0.38200718241117 0.14493692632123 0.75764886267245 232.038 > 21 84 Th 0.88200718241117 0.14493692632123 0.75764886267245 232.038 > 21 85 Th 0.13200718241117 0.35506307367877 0.24235113732755 232.038 > 22 86 Th 0.63200718241117 0.35506307367877 0.24235113732755 232.038 > 22 87 Th 0.13200718241117 0.35506307367877 0.74235113732755 232.038 > 22 88 Th 0.63200718241117 0.35506307367877 0.74235113732755 232.038 > 22 89 Th 0.36799281758883 0.35506307367877 0.00764886267245 232.038 > 23 90 Th 0.86799281758883 0.35506307367877 0.00764886267245 232.038 > 23 91 Th 0.36799281758883 0.35506307367877 0.50764886267245 232.038 > 23 92 Th 0.86799281758883 0.35506307367877 0.50764886267245 232.038 > 23 93 Th 0.11799281758883 0.14493692632123 0.49235113732755 232.038 > 24 94 Th 0.61799281758883 0.14493692632123 0.49235113732755 232.038 > 24 95 Th 0.11799281758883 0.14493692632123 0.99235113732755 232.038 > 24 96 Th 0.61799281758883 0.14493692632123 0.99235113732755 232.038 > 24 97 Th 0.11799281758883 0.85506307367877 0.24235113732755 232.038 > 25 98 Th 0.61799281758883 0.85506307367877 0.24235113732755 232.038 > 25 99 Th 0.11799281758883 0.85506307367877 0.74235113732755 232.038 > 25 100 Th 0.61799281758883 0.85506307367877 0.74235113732755 232.038 > 25 101 Th 0.36799281758883 0.64493692632123 0.25764886267245 232.038 > 26 102 Th 0.86799281758883 0.64493692632123 0.25764886267245 232.038 > 26 103 Th 0.36799281758883 0.64493692632123 0.75764886267245 232.038 > 26 104 Th 0.86799281758883 0.64493692632123 0.75764886267245 232.038 > 26 105 Th 0.13200718241117 0.64493692632123 0.49235113732755 232.038 > 27 106 Th 0.63200718241117 0.64493692632123 0.49235113732755 232.038 > 27 107 Th 0.13200718241117 0.64493692632123 0.99235113732755 232.038 > 27 108 Th 0.63200718241117 0.64493692632123 0.99235113732755 232.038 > 27 109 Th 0.38200718241117 0.85506307367877 0.00764886267245 232.038 > 28 110 Th 0.88200718241117 0.85506307367877 0.00764886267245 232.038 > 28 111 Th 0.38200718241117 0.85506307367877 0.50764886267245 232.038 > 28 112 Th 0.88200718241117 0.85506307367877 0.50764886267245 232.038 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 12.7888539 0.0000000 0.0000000 0.0000000 9.3373644 0.0000000 0.0000000 0.0000000 12.7754951 -------------------------- Born effective charges -------------------------- 1 S -3.4026582 0.0000000 -0.1243241 0.0000000 -1.7057022 0.0000000 0.3164198 0.0000000 -3.4339966 2 S -3.4026582 0.0000000 0.1243241 0.0000000 -1.7057022 0.0000000 -0.3164198 0.0000000 -3.4339966 3 S -3.4026582 0.0000000 -0.1243241 0.0000000 -1.7057022 0.0000000 0.3164198 0.0000000 -3.4339966 4 S -3.4026582 0.0000000 0.1243241 0.0000000 -1.7057022 0.0000000 -0.3164198 0.0000000 -3.4339966 5 S -3.0550153 0.2957164 -0.4566204 0.1122125 -3.0857969 0.1654826 -0.5476809 0.3859663 -3.0230144 6 S -3.0550153 -0.2957164 0.4566204 -0.1122125 -3.0857969 0.1654826 0.5476809 0.3859663 -3.0230144 7 S -3.0550153 0.2957164 0.4566204 0.1122125 -3.0857969 -0.1654826 0.5476809 -0.3859663 -3.0230144 8 S -3.0550153 -0.2957164 -0.4566204 -0.1122125 -3.0857969 -0.1654826 -0.5476809 -0.3859663 -3.0230144 9 S -3.0550153 0.2957164 -0.4566204 0.1122125 -3.0857969 0.1654826 -0.5476809 0.3859663 -3.0230144 10 S -3.0550153 -0.2957164 0.4566204 -0.1122125 -3.0857969 0.1654826 0.5476809 0.3859663 -3.0230144 11 S -3.0550153 0.2957164 0.4566204 0.1122125 -3.0857969 -0.1654826 0.5476809 -0.3859663 -3.0230144 12 S -3.0550153 -0.2957164 -0.4566204 -0.1122125 -3.0857969 -0.1654826 -0.5476809 -0.3859663 -3.0230144 13 S -0.6916210 0.1322342 1.6562850 0.2147226 -1.9391295 0.1678343 1.7031175 0.1267728 -0.6938439 14 S -0.6916210 -0.1322342 -1.6562850 -0.2147226 -1.9391295 0.1678343 -1.7031175 0.1267728 -0.6938439 15 S -0.6916210 0.1322342 -1.6562850 0.2147226 -1.9391295 -0.1678343 -1.7031175 -0.1267728 -0.6938439 16 S -0.6916210 -0.1322342 1.6562850 -0.2147226 -1.9391295 -0.1678343 1.7031175 -0.1267728 -0.6938439 17 S -0.6916210 0.1322342 1.6562850 0.2147226 -1.9391295 0.1678343 1.7031175 0.1267728 -0.6938439 18 S -0.6916210 -0.1322342 -1.6562850 -0.2147226 -1.9391295 0.1678343 -1.7031175 0.1267728 -0.6938439 19 S -0.6916210 0.1322342 -1.6562850 0.2147226 -1.9391295 -0.1678343 -1.7031175 -0.1267728 -0.6938439 20 S -0.6916210 -0.1322342 1.6562850 -0.2147226 -1.9391295 -0.1678343 1.7031175 -0.1267728 -0.6938439 21 Th 5.4479654 0.5043795 0.0189434 -0.2398359 5.8777775 -0.1724092 -0.0250206 0.0212151 5.4338565 22 Th 5.4479654 -0.5043795 -0.0189434 0.2398359 5.8777775 -0.1724092 0.0250206 0.0212151 5.4338565 23 Th 5.4479654 0.5043795 -0.0189434 -0.2398359 5.8777775 0.1724092 0.0250206 -0.0212151 5.4338565 24 Th 5.4479654 -0.5043795 0.0189434 0.2398359 5.8777775 0.1724092 -0.0250206 -0.0212151 5.4338565 25 Th 5.4479654 0.5043795 0.0189434 -0.2398359 5.8777775 -0.1724092 -0.0250206 0.0212151 5.4338565 26 Th 5.4479654 -0.5043795 -0.0189434 0.2398359 5.8777775 -0.1724092 0.0250206 0.0212151 5.4338565 27 Th 5.4479654 0.5043795 -0.0189434 -0.2398359 5.8777775 0.1724092 0.0250206 -0.0212151 5.4338565 28 Th 5.4479654 -0.5043795 0.0189434 0.2398359 5.8777775 0.1724092 -0.0250206 -0.0212151 5.4338565 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1849 Number of blocks in projector: 1849 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: 394 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 390 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 390 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 225 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 225 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 225 Use standard eigh solver. Tree of FC basis block matrices: - (1849, 1817), data: False |-- (225, 221), data: True |-- (225, 221), data: True |-- (225, 221), data: True |-- (390, 384), data: True |-- (390, 384), data: True |-- (394, 386), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 480 - Time: 0.744 Solver_block: 200 / 480 - Time: 0.702 Solver_block: 300 / 480 - Time: 0.697 Solver_block: 400 / 480 - Time: 0.698 Solver_block: 480 / 480 - Time: 0.660 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.553 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1849 Number of blocks in projector: 1849 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: 394 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 390 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 390 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 225 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 225 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 225 Use standard eigh solver. Tree of FC basis block matrices: - (1849, 1817), data: False |-- (225, 221), data: True |-- (225, 221), data: True |-- (225, 221), data: True |-- (390, 384), data: True |-- (390, 384), data: True |-- (394, 386), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 18:54:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:54:31]------------------------- Compiled with OpenMP support (max 48 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.514376539999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.162463429999999 0.000000000000000 c 0.000000000000000 0.000000000000000 7.530701849999998 Atomic positions (fractional): 1 S 0.00000000000000 0.24972437081929 0.25000000000000 32.065 2 S 0.50000000000000 0.25027562918071 0.75000000000000 32.065 3 S 0.00000000000000 0.75027562918071 0.75000000000000 32.065 4 S 0.50000000000000 0.74972437081929 0.25000000000000 32.065 5 S 0.63622300462751 0.60863687780187 0.88714137208870 32.065 6 S 0.13622300462751 0.89136312219813 0.11285862791131 32.065 7 S 0.86377699537249 0.89136312219813 0.38714137208869 32.065 8 S 0.36377699537249 0.60863687780187 0.61285862791130 32.065 9 S 0.36377699537249 0.39136312219813 0.11285862791131 32.065 10 S 0.86377699537249 0.10863687780187 0.88714137208870 32.065 11 S 0.13622300462751 0.10863687780187 0.61285862791130 32.065 12 S 0.63622300462751 0.39136312219813 0.38714137208869 32.065 13 S 0.10210881925538 0.60282603120836 0.35231911326985 32.065 14 S 0.60210881925538 0.89717396879164 0.64768088673015 32.065 15 S 0.39789118074462 0.89717396879164 0.85231911326985 32.065 16 S 0.89789118074462 0.60282603120836 0.14768088673015 32.065 17 S 0.89789118074462 0.39717396879164 0.64768088673015 32.065 18 S 0.39789118074462 0.10282603120836 0.35231911326985 32.065 19 S 0.60210881925538 0.10282603120836 0.14768088673015 32.065 20 S 0.10210881925538 0.39717396879164 0.85231911326985 32.065 21 Th 0.76401436482233 0.14493692632123 0.51529772534491 232.038 22 Th 0.26401436482233 0.35506307367877 0.48470227465509 232.038 23 Th 0.73598563517767 0.35506307367877 0.01529772534491 232.038 24 Th 0.23598563517766 0.14493692632123 0.98470227465509 232.038 25 Th 0.23598563517766 0.85506307367877 0.48470227465509 232.038 26 Th 0.73598563517767 0.64493692632123 0.51529772534491 232.038 27 Th 0.26401436482233 0.64493692632123 0.98470227465509 232.038 28 Th 0.76401436482233 0.85506307367877 0.01529772534491 232.038 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.028753079999998 0.000000000000000 0.000000000000000 b 0.000000000000000 10.162463429999999 0.000000000000000 c 0.000000000000000 0.000000000000000 15.061403699999996 Atomic positions (fractional): 1 S 0.00000000000000 0.24972437081929 0.12500000000000 32.065 > 1 2 S 0.50000000000000 0.24972437081929 0.12500000000000 32.065 > 1 3 S 0.00000000000000 0.24972437081929 0.62500000000000 32.065 > 1 4 S 0.50000000000000 0.24972437081929 0.62500000000000 32.065 > 1 5 S 0.25000000000000 0.25027562918071 0.37500000000000 32.065 > 5 6 S 0.75000000000000 0.25027562918071 0.37500000000000 32.065 > 5 7 S 0.25000000000000 0.25027562918071 0.87500000000000 32.065 > 5 8 S 0.75000000000000 0.25027562918071 0.87500000000000 32.065 > 5 9 S 0.00000000000000 0.75027562918071 0.37500000000000 32.065 > 9 10 S 0.50000000000000 0.75027562918071 0.37500000000000 32.065 > 9 11 S 0.00000000000000 0.75027562918071 0.87500000000000 32.065 > 9 12 S 0.50000000000000 0.75027562918071 0.87500000000000 32.065 > 9 13 S 0.25000000000000 0.74972437081929 0.12500000000000 32.065 > 13 14 S 0.75000000000000 0.74972437081929 0.12500000000000 32.065 > 13 15 S 0.25000000000000 0.74972437081929 0.62500000000000 32.065 > 13 16 S 0.75000000000000 0.74972437081929 0.62500000000000 32.065 > 13 17 S 0.31811150231375 0.60863687780187 0.44357068604435 32.065 > 17 18 S 0.81811150231375 0.60863687780187 0.44357068604435 32.065 > 17 19 S 0.31811150231375 0.60863687780187 0.94357068604435 32.065 > 17 20 S 0.81811150231375 0.60863687780187 0.94357068604435 32.065 > 17 21 S 0.06811150231375 0.89136312219813 0.05642931395565 32.065 > 21 22 S 0.56811150231375 0.89136312219813 0.05642931395565 32.065 > 21 23 S 0.06811150231375 0.89136312219813 0.55642931395565 32.065 > 21 24 S 0.56811150231375 0.89136312219813 0.55642931395565 32.065 > 21 25 S 0.43188849768625 0.89136312219813 0.19357068604435 32.065 > 25 26 S 0.93188849768625 0.89136312219813 0.19357068604435 32.065 > 25 27 S 0.43188849768625 0.89136312219813 0.69357068604435 32.065 > 25 28 S 0.93188849768625 0.89136312219813 0.69357068604435 32.065 > 25 29 S 0.18188849768625 0.60863687780187 0.30642931395565 32.065 > 29 30 S 0.68188849768625 0.60863687780187 0.30642931395565 32.065 > 29 31 S 0.18188849768625 0.60863687780187 0.80642931395565 32.065 > 29 32 S 0.68188849768625 0.60863687780187 0.80642931395565 32.065 > 29 33 S 0.18188849768625 0.39136312219813 0.05642931395565 32.065 > 33 34 S 0.68188849768625 0.39136312219813 0.05642931395565 32.065 > 33 35 S 0.18188849768625 0.39136312219813 0.55642931395565 32.065 > 33 36 S 0.68188849768625 0.39136312219813 0.55642931395565 32.065 > 33 37 S 0.43188849768625 0.10863687780187 0.44357068604435 32.065 > 37 38 S 0.93188849768625 0.10863687780187 0.44357068604435 32.065 > 37 39 S 0.43188849768625 0.10863687780187 0.94357068604435 32.065 > 37 40 S 0.93188849768625 0.10863687780187 0.94357068604435 32.065 > 37 41 S 0.06811150231375 0.10863687780187 0.30642931395565 32.065 > 41 42 S 0.56811150231375 0.10863687780187 0.30642931395565 32.065 > 41 43 S 0.06811150231375 0.10863687780187 0.80642931395565 32.065 > 41 44 S 0.56811150231375 0.10863687780187 0.80642931395565 32.065 > 41 45 S 0.31811150231375 0.39136312219813 0.19357068604435 32.065 > 45 46 S 0.81811150231375 0.39136312219813 0.19357068604435 32.065 > 45 47 S 0.31811150231375 0.39136312219813 0.69357068604435 32.065 > 45 48 S 0.81811150231375 0.39136312219813 0.69357068604435 32.065 > 45 49 S 0.05105440962769 0.60282603120836 0.17615955663493 32.065 > 49 50 S 0.55105440962769 0.60282603120836 0.17615955663493 32.065 > 49 51 S 0.05105440962769 0.60282603120836 0.67615955663493 32.065 > 49 52 S 0.55105440962769 0.60282603120836 0.67615955663493 32.065 > 49 53 S 0.30105440962769 0.89717396879164 0.32384044336507 32.065 > 53 54 S 0.80105440962769 0.89717396879164 0.32384044336507 32.065 > 53 55 S 0.30105440962769 0.89717396879164 0.82384044336507 32.065 > 53 56 S 0.80105440962769 0.89717396879164 0.82384044336507 32.065 > 53 57 S 0.19894559037231 0.89717396879164 0.42615955663493 32.065 > 57 58 S 0.69894559037231 0.89717396879164 0.42615955663493 32.065 > 57 59 S 0.19894559037231 0.89717396879164 0.92615955663493 32.065 > 57 60 S 0.69894559037231 0.89717396879164 0.92615955663493 32.065 > 57 61 S 0.44894559037231 0.60282603120836 0.07384044336507 32.065 > 61 62 S 0.94894559037231 0.60282603120836 0.07384044336507 32.065 > 61 63 S 0.44894559037231 0.60282603120836 0.57384044336507 32.065 > 61 64 S 0.94894559037231 0.60282603120836 0.57384044336507 32.065 > 61 65 S 0.44894559037231 0.39717396879164 0.32384044336507 32.065 > 65 66 S 0.94894559037231 0.39717396879164 0.32384044336507 32.065 > 65 67 S 0.44894559037231 0.39717396879164 0.82384044336507 32.065 > 65 68 S 0.94894559037231 0.39717396879164 0.82384044336507 32.065 > 65 69 S 0.19894559037231 0.10282603120836 0.17615955663493 32.065 > 69 70 S 0.69894559037231 0.10282603120836 0.17615955663493 32.065 > 69 71 S 0.19894559037231 0.10282603120836 0.67615955663493 32.065 > 69 72 S 0.69894559037231 0.10282603120836 0.67615955663493 32.065 > 69 73 S 0.30105440962769 0.10282603120836 0.07384044336507 32.065 > 73 74 S 0.80105440962769 0.10282603120836 0.07384044336507 32.065 > 73 75 S 0.30105440962769 0.10282603120836 0.57384044336507 32.065 > 73 76 S 0.80105440962769 0.10282603120836 0.57384044336507 32.065 > 73 77 S 0.05105440962769 0.39717396879164 0.42615955663493 32.065 > 77 78 S 0.55105440962769 0.39717396879164 0.42615955663493 32.065 > 77 79 S 0.05105440962769 0.39717396879164 0.92615955663493 32.065 > 77 80 S 0.55105440962769 0.39717396879164 0.92615955663493 32.065 > 77 81 Th 0.38200718241117 0.14493692632123 0.25764886267245 232.038 > 81 82 Th 0.88200718241117 0.14493692632123 0.25764886267245 232.038 > 81 83 Th 0.38200718241117 0.14493692632123 0.75764886267245 232.038 > 81 84 Th 0.88200718241117 0.14493692632123 0.75764886267245 232.038 > 81 85 Th 0.13200718241117 0.35506307367877 0.24235113732755 232.038 > 85 86 Th 0.63200718241117 0.35506307367877 0.24235113732755 232.038 > 85 87 Th 0.13200718241117 0.35506307367877 0.74235113732755 232.038 > 85 88 Th 0.63200718241117 0.35506307367877 0.74235113732755 232.038 > 85 89 Th 0.36799281758883 0.35506307367877 0.00764886267245 232.038 > 89 90 Th 0.86799281758883 0.35506307367877 0.00764886267245 232.038 > 89 91 Th 0.36799281758883 0.35506307367877 0.50764886267245 232.038 > 89 92 Th 0.86799281758883 0.35506307367877 0.50764886267245 232.038 > 89 93 Th 0.11799281758883 0.14493692632123 0.49235113732755 232.038 > 93 94 Th 0.61799281758883 0.14493692632123 0.49235113732755 232.038 > 93 95 Th 0.11799281758883 0.14493692632123 0.99235113732755 232.038 > 93 96 Th 0.61799281758883 0.14493692632123 0.99235113732755 232.038 > 93 97 Th 0.11799281758883 0.85506307367877 0.24235113732755 232.038 > 97 98 Th 0.61799281758883 0.85506307367877 0.24235113732755 232.038 > 97 99 Th 0.11799281758883 0.85506307367877 0.74235113732755 232.038 > 97 100 Th 0.61799281758883 0.85506307367877 0.74235113732755 232.038 > 97 101 Th 0.36799281758883 0.64493692632123 0.25764886267245 232.038 > 101 102 Th 0.86799281758883 0.64493692632123 0.25764886267245 232.038 > 101 103 Th 0.36799281758883 0.64493692632123 0.75764886267245 232.038 > 101 104 Th 0.86799281758883 0.64493692632123 0.75764886267245 232.038 > 101 105 Th 0.13200718241117 0.64493692632123 0.49235113732755 232.038 > 105 106 Th 0.63200718241117 0.64493692632123 0.49235113732755 232.038 > 105 107 Th 0.13200718241117 0.64493692632123 0.99235113732755 232.038 > 105 108 Th 0.63200718241117 0.64493692632123 0.99235113732755 232.038 > 105 109 Th 0.38200718241117 0.85506307367877 0.00764886267245 232.038 > 109 110 Th 0.88200718241117 0.85506307367877 0.00764886267245 232.038 > 109 111 Th 0.38200718241117 0.85506307367877 0.50764886267245 232.038 > 109 112 Th 0.88200718241117 0.85506307367877 0.50764886267245 232.038 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 12.7888539 0.0000000 0.0000000 0.0000000 9.3373644 0.0000000 0.0000000 0.0000000 12.7754951 -------------------------- Born effective charges -------------------------- 1 S -3.4026582 0.0000000 -0.1243241 0.0000000 -1.7057022 0.0000000 0.3164198 0.0000000 -3.4339966 2 S -3.4026582 0.0000000 0.1243241 0.0000000 -1.7057022 0.0000000 -0.3164198 0.0000000 -3.4339966 3 S -3.4026582 0.0000000 -0.1243241 0.0000000 -1.7057022 0.0000000 0.3164198 0.0000000 -3.4339966 4 S -3.4026582 0.0000000 0.1243241 0.0000000 -1.7057022 0.0000000 -0.3164198 0.0000000 -3.4339966 5 S -3.0550153 0.2957164 -0.4566204 0.1122125 -3.0857969 0.1654826 -0.5476809 0.3859663 -3.0230144 6 S -3.0550153 -0.2957164 0.4566204 -0.1122125 -3.0857969 0.1654826 0.5476809 0.3859663 -3.0230144 7 S -3.0550153 0.2957164 0.4566204 0.1122125 -3.0857969 -0.1654826 0.5476809 -0.3859663 -3.0230144 8 S -3.0550153 -0.2957164 -0.4566204 -0.1122125 -3.0857969 -0.1654826 -0.5476809 -0.3859663 -3.0230144 9 S -3.0550153 0.2957164 -0.4566204 0.1122125 -3.0857969 0.1654826 -0.5476809 0.3859663 -3.0230144 10 S -3.0550153 -0.2957164 0.4566204 -0.1122125 -3.0857969 0.1654826 0.5476809 0.3859663 -3.0230144 11 S -3.0550153 0.2957164 0.4566204 0.1122125 -3.0857969 -0.1654826 0.5476809 -0.3859663 -3.0230144 12 S -3.0550153 -0.2957164 -0.4566204 -0.1122125 -3.0857969 -0.1654826 -0.5476809 -0.3859663 -3.0230144 13 S -0.6916210 0.1322342 1.6562850 0.2147226 -1.9391295 0.1678343 1.7031175 0.1267728 -0.6938439 14 S -0.6916210 -0.1322342 -1.6562850 -0.2147226 -1.9391295 0.1678343 -1.7031175 0.1267728 -0.6938439 15 S -0.6916210 0.1322342 -1.6562850 0.2147226 -1.9391295 -0.1678343 -1.7031175 -0.1267728 -0.6938439 16 S -0.6916210 -0.1322342 1.6562850 -0.2147226 -1.9391295 -0.1678343 1.7031175 -0.1267728 -0.6938439 17 S -0.6916210 0.1322342 1.6562850 0.2147226 -1.9391295 0.1678343 1.7031175 0.1267728 -0.6938439 18 S -0.6916210 -0.1322342 -1.6562850 -0.2147226 -1.9391295 0.1678343 -1.7031175 0.1267728 -0.6938439 19 S -0.6916210 0.1322342 -1.6562850 0.2147226 -1.9391295 -0.1678343 -1.7031175 -0.1267728 -0.6938439 20 S -0.6916210 -0.1322342 1.6562850 -0.2147226 -1.9391295 -0.1678343 1.7031175 -0.1267728 -0.6938439 21 Th 5.4479654 0.5043795 0.0189434 -0.2398359 5.8777775 -0.1724092 -0.0250206 0.0212151 5.4338565 22 Th 5.4479654 -0.5043795 -0.0189434 0.2398359 5.8777775 -0.1724092 0.0250206 0.0212151 5.4338565 23 Th 5.4479654 0.5043795 -0.0189434 -0.2398359 5.8777775 0.1724092 0.0250206 -0.0212151 5.4338565 24 Th 5.4479654 -0.5043795 0.0189434 0.2398359 5.8777775 0.1724092 -0.0250206 -0.0212151 5.4338565 25 Th 5.4479654 0.5043795 0.0189434 -0.2398359 5.8777775 -0.1724092 -0.0250206 0.0212151 5.4338565 26 Th 5.4479654 -0.5043795 -0.0189434 0.2398359 5.8777775 -0.1724092 0.0250206 0.0212151 5.4338565 27 Th 5.4479654 0.5043795 -0.0189434 -0.2398359 5.8777775 0.1724092 0.0250206 -0.0212151 5.4338565 28 Th 5.4479654 -0.5043795 0.0189434 0.2398359 5.8777775 0.1724092 -0.0250206 -0.0212151 5.4338565 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:54:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:54:54]------------------------- Compiled with OpenMP support (max 48 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.514376539999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.162463429999999 0.000000000000000 c 0.000000000000000 0.000000000000000 7.530701849999998 Atomic positions (fractional): 1 S 0.00000000000000 0.24972437081929 0.25000000000000 32.065 2 S 0.50000000000000 0.25027562918071 0.75000000000000 32.065 3 S 0.00000000000000 0.75027562918071 0.75000000000000 32.065 4 S 0.50000000000000 0.74972437081929 0.25000000000000 32.065 5 S 0.63622300462751 0.60863687780187 0.88714137208870 32.065 6 S 0.13622300462751 0.89136312219813 0.11285862791131 32.065 7 S 0.86377699537249 0.89136312219813 0.38714137208869 32.065 8 S 0.36377699537249 0.60863687780187 0.61285862791130 32.065 9 S 0.36377699537249 0.39136312219813 0.11285862791131 32.065 10 S 0.86377699537249 0.10863687780187 0.88714137208870 32.065 11 S 0.13622300462751 0.10863687780187 0.61285862791130 32.065 12 S 0.63622300462751 0.39136312219813 0.38714137208869 32.065 13 S 0.10210881925538 0.60282603120836 0.35231911326985 32.065 14 S 0.60210881925538 0.89717396879164 0.64768088673015 32.065 15 S 0.39789118074462 0.89717396879164 0.85231911326985 32.065 16 S 0.89789118074462 0.60282603120836 0.14768088673015 32.065 17 S 0.89789118074462 0.39717396879164 0.64768088673015 32.065 18 S 0.39789118074462 0.10282603120836 0.35231911326985 32.065 19 S 0.60210881925538 0.10282603120836 0.14768088673015 32.065 20 S 0.10210881925538 0.39717396879164 0.85231911326985 32.065 21 Th 0.76401436482233 0.14493692632123 0.51529772534491 232.038 22 Th 0.26401436482233 0.35506307367877 0.48470227465509 232.038 23 Th 0.73598563517767 0.35506307367877 0.01529772534491 232.038 24 Th 0.23598563517766 0.14493692632123 0.98470227465509 232.038 25 Th 0.23598563517766 0.85506307367877 0.48470227465509 232.038 26 Th 0.73598563517767 0.64493692632123 0.51529772534491 232.038 27 Th 0.26401436482233 0.64493692632123 0.98470227465509 232.038 28 Th 0.76401436482233 0.85506307367877 0.01529772534491 232.038 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.028753079999998 0.000000000000000 0.000000000000000 b 0.000000000000000 10.162463429999999 0.000000000000000 c 0.000000000000000 0.000000000000000 15.061403699999996 Atomic positions (fractional): 1 S 0.00000000000000 0.24972437081929 0.12500000000000 32.065 > 1 2 S 0.50000000000000 0.24972437081929 0.12500000000000 32.065 > 1 3 S 0.00000000000000 0.24972437081929 0.62500000000000 32.065 > 1 4 S 0.50000000000000 0.24972437081929 0.62500000000000 32.065 > 1 5 S 0.25000000000000 0.25027562918071 0.37500000000000 32.065 > 5 6 S 0.75000000000000 0.25027562918071 0.37500000000000 32.065 > 5 7 S 0.25000000000000 0.25027562918071 0.87500000000000 32.065 > 5 8 S 0.75000000000000 0.25027562918071 0.87500000000000 32.065 > 5 9 S 0.00000000000000 0.75027562918071 0.37500000000000 32.065 > 9 10 S 0.50000000000000 0.75027562918071 0.37500000000000 32.065 > 9 11 S 0.00000000000000 0.75027562918071 0.87500000000000 32.065 > 9 12 S 0.50000000000000 0.75027562918071 0.87500000000000 32.065 > 9 13 S 0.25000000000000 0.74972437081929 0.12500000000000 32.065 > 13 14 S 0.75000000000000 0.74972437081929 0.12500000000000 32.065 > 13 15 S 0.25000000000000 0.74972437081929 0.62500000000000 32.065 > 13 16 S 0.75000000000000 0.74972437081929 0.62500000000000 32.065 > 13 17 S 0.31811150231375 0.60863687780187 0.44357068604435 32.065 > 17 18 S 0.81811150231375 0.60863687780187 0.44357068604435 32.065 > 17 19 S 0.31811150231375 0.60863687780187 0.94357068604435 32.065 > 17 20 S 0.81811150231375 0.60863687780187 0.94357068604435 32.065 > 17 21 S 0.06811150231375 0.89136312219813 0.05642931395565 32.065 > 21 22 S 0.56811150231375 0.89136312219813 0.05642931395565 32.065 > 21 23 S 0.06811150231375 0.89136312219813 0.55642931395565 32.065 > 21 24 S 0.56811150231375 0.89136312219813 0.55642931395565 32.065 > 21 25 S 0.43188849768625 0.89136312219813 0.19357068604435 32.065 > 25 26 S 0.93188849768625 0.89136312219813 0.19357068604435 32.065 > 25 27 S 0.43188849768625 0.89136312219813 0.69357068604435 32.065 > 25 28 S 0.93188849768625 0.89136312219813 0.69357068604435 32.065 > 25 29 S 0.18188849768625 0.60863687780187 0.30642931395565 32.065 > 29 30 S 0.68188849768625 0.60863687780187 0.30642931395565 32.065 > 29 31 S 0.18188849768625 0.60863687780187 0.80642931395565 32.065 > 29 32 S 0.68188849768625 0.60863687780187 0.80642931395565 32.065 > 29 33 S 0.18188849768625 0.39136312219813 0.05642931395565 32.065 > 33 34 S 0.68188849768625 0.39136312219813 0.05642931395565 32.065 > 33 35 S 0.18188849768625 0.39136312219813 0.55642931395565 32.065 > 33 36 S 0.68188849768625 0.39136312219813 0.55642931395565 32.065 > 33 37 S 0.43188849768625 0.10863687780187 0.44357068604435 32.065 > 37 38 S 0.93188849768625 0.10863687780187 0.44357068604435 32.065 > 37 39 S 0.43188849768625 0.10863687780187 0.94357068604435 32.065 > 37 40 S 0.93188849768625 0.10863687780187 0.94357068604435 32.065 > 37 41 S 0.06811150231375 0.10863687780187 0.30642931395565 32.065 > 41 42 S 0.56811150231375 0.10863687780187 0.30642931395565 32.065 > 41 43 S 0.06811150231375 0.10863687780187 0.80642931395565 32.065 > 41 44 S 0.56811150231375 0.10863687780187 0.80642931395565 32.065 > 41 45 S 0.31811150231375 0.39136312219813 0.19357068604435 32.065 > 45 46 S 0.81811150231375 0.39136312219813 0.19357068604435 32.065 > 45 47 S 0.31811150231375 0.39136312219813 0.69357068604435 32.065 > 45 48 S 0.81811150231375 0.39136312219813 0.69357068604435 32.065 > 45 49 S 0.05105440962769 0.60282603120836 0.17615955663493 32.065 > 49 50 S 0.55105440962769 0.60282603120836 0.17615955663493 32.065 > 49 51 S 0.05105440962769 0.60282603120836 0.67615955663493 32.065 > 49 52 S 0.55105440962769 0.60282603120836 0.67615955663493 32.065 > 49 53 S 0.30105440962769 0.89717396879164 0.32384044336507 32.065 > 53 54 S 0.80105440962769 0.89717396879164 0.32384044336507 32.065 > 53 55 S 0.30105440962769 0.89717396879164 0.82384044336507 32.065 > 53 56 S 0.80105440962769 0.89717396879164 0.82384044336507 32.065 > 53 57 S 0.19894559037231 0.89717396879164 0.42615955663493 32.065 > 57 58 S 0.69894559037231 0.89717396879164 0.42615955663493 32.065 > 57 59 S 0.19894559037231 0.89717396879164 0.92615955663493 32.065 > 57 60 S 0.69894559037231 0.89717396879164 0.92615955663493 32.065 > 57 61 S 0.44894559037231 0.60282603120836 0.07384044336507 32.065 > 61 62 S 0.94894559037231 0.60282603120836 0.07384044336507 32.065 > 61 63 S 0.44894559037231 0.60282603120836 0.57384044336507 32.065 > 61 64 S 0.94894559037231 0.60282603120836 0.57384044336507 32.065 > 61 65 S 0.44894559037231 0.39717396879164 0.32384044336507 32.065 > 65 66 S 0.94894559037231 0.39717396879164 0.32384044336507 32.065 > 65 67 S 0.44894559037231 0.39717396879164 0.82384044336507 32.065 > 65 68 S 0.94894559037231 0.39717396879164 0.82384044336507 32.065 > 65 69 S 0.19894559037231 0.10282603120836 0.17615955663493 32.065 > 69 70 S 0.69894559037231 0.10282603120836 0.17615955663493 32.065 > 69 71 S 0.19894559037231 0.10282603120836 0.67615955663493 32.065 > 69 72 S 0.69894559037231 0.10282603120836 0.67615955663493 32.065 > 69 73 S 0.30105440962769 0.10282603120836 0.07384044336507 32.065 > 73 74 S 0.80105440962769 0.10282603120836 0.07384044336507 32.065 > 73 75 S 0.30105440962769 0.10282603120836 0.57384044336507 32.065 > 73 76 S 0.80105440962769 0.10282603120836 0.57384044336507 32.065 > 73 77 S 0.05105440962769 0.39717396879164 0.42615955663493 32.065 > 77 78 S 0.55105440962769 0.39717396879164 0.42615955663493 32.065 > 77 79 S 0.05105440962769 0.39717396879164 0.92615955663493 32.065 > 77 80 S 0.55105440962769 0.39717396879164 0.92615955663493 32.065 > 77 81 Th 0.38200718241117 0.14493692632123 0.25764886267245 232.038 > 81 82 Th 0.88200718241117 0.14493692632123 0.25764886267245 232.038 > 81 83 Th 0.38200718241117 0.14493692632123 0.75764886267245 232.038 > 81 84 Th 0.88200718241117 0.14493692632123 0.75764886267245 232.038 > 81 85 Th 0.13200718241117 0.35506307367877 0.24235113732755 232.038 > 85 86 Th 0.63200718241117 0.35506307367877 0.24235113732755 232.038 > 85 87 Th 0.13200718241117 0.35506307367877 0.74235113732755 232.038 > 85 88 Th 0.63200718241117 0.35506307367877 0.74235113732755 232.038 > 85 89 Th 0.36799281758883 0.35506307367877 0.00764886267245 232.038 > 89 90 Th 0.86799281758883 0.35506307367877 0.00764886267245 232.038 > 89 91 Th 0.36799281758883 0.35506307367877 0.50764886267245 232.038 > 89 92 Th 0.86799281758883 0.35506307367877 0.50764886267245 232.038 > 89 93 Th 0.11799281758883 0.14493692632123 0.49235113732755 232.038 > 93 94 Th 0.61799281758883 0.14493692632123 0.49235113732755 232.038 > 93 95 Th 0.11799281758883 0.14493692632123 0.99235113732755 232.038 > 93 96 Th 0.61799281758883 0.14493692632123 0.99235113732755 232.038 > 93 97 Th 0.11799281758883 0.85506307367877 0.24235113732755 232.038 > 97 98 Th 0.61799281758883 0.85506307367877 0.24235113732755 232.038 > 97 99 Th 0.11799281758883 0.85506307367877 0.74235113732755 232.038 > 97 100 Th 0.61799281758883 0.85506307367877 0.74235113732755 232.038 > 97 101 Th 0.36799281758883 0.64493692632123 0.25764886267245 232.038 > 101 102 Th 0.86799281758883 0.64493692632123 0.25764886267245 232.038 > 101 103 Th 0.36799281758883 0.64493692632123 0.75764886267245 232.038 > 101 104 Th 0.86799281758883 0.64493692632123 0.75764886267245 232.038 > 101 105 Th 0.13200718241117 0.64493692632123 0.49235113732755 232.038 > 105 106 Th 0.63200718241117 0.64493692632123 0.49235113732755 232.038 > 105 107 Th 0.13200718241117 0.64493692632123 0.99235113732755 232.038 > 105 108 Th 0.63200718241117 0.64493692632123 0.99235113732755 232.038 > 105 109 Th 0.38200718241117 0.85506307367877 0.00764886267245 232.038 > 109 110 Th 0.88200718241117 0.85506307367877 0.00764886267245 232.038 > 109 111 Th 0.38200718241117 0.85506307367877 0.50764886267245 232.038 > 109 112 Th 0.88200718241117 0.85506307367877 0.50764886267245 232.038 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 12.7888539 0.0000000 0.0000000 0.0000000 9.3373644 0.0000000 0.0000000 0.0000000 12.7754951 -------------------------- Born effective charges -------------------------- 1 S -3.4026582 0.0000000 -0.1243241 0.0000000 -1.7057022 0.0000000 0.3164198 0.0000000 -3.4339966 2 S -3.4026582 0.0000000 0.1243241 0.0000000 -1.7057022 0.0000000 -0.3164198 0.0000000 -3.4339966 3 S -3.4026582 0.0000000 -0.1243241 0.0000000 -1.7057022 0.0000000 0.3164198 0.0000000 -3.4339966 4 S -3.4026582 0.0000000 0.1243241 0.0000000 -1.7057022 0.0000000 -0.3164198 0.0000000 -3.4339966 5 S -3.0550153 0.2957164 -0.4566204 0.1122125 -3.0857969 0.1654826 -0.5476809 0.3859663 -3.0230144 6 S -3.0550153 -0.2957164 0.4566204 -0.1122125 -3.0857969 0.1654826 0.5476809 0.3859663 -3.0230144 7 S -3.0550153 0.2957164 0.4566204 0.1122125 -3.0857969 -0.1654826 0.5476809 -0.3859663 -3.0230144 8 S -3.0550153 -0.2957164 -0.4566204 -0.1122125 -3.0857969 -0.1654826 -0.5476809 -0.3859663 -3.0230144 9 S -3.0550153 0.2957164 -0.4566204 0.1122125 -3.0857969 0.1654826 -0.5476809 0.3859663 -3.0230144 10 S -3.0550153 -0.2957164 0.4566204 -0.1122125 -3.0857969 0.1654826 0.5476809 0.3859663 -3.0230144 11 S -3.0550153 0.2957164 0.4566204 0.1122125 -3.0857969 -0.1654826 0.5476809 -0.3859663 -3.0230144 12 S -3.0550153 -0.2957164 -0.4566204 -0.1122125 -3.0857969 -0.1654826 -0.5476809 -0.3859663 -3.0230144 13 S -0.6916210 0.1322342 1.6562850 0.2147226 -1.9391295 0.1678343 1.7031175 0.1267728 -0.6938439 14 S -0.6916210 -0.1322342 -1.6562850 -0.2147226 -1.9391295 0.1678343 -1.7031175 0.1267728 -0.6938439 15 S -0.6916210 0.1322342 -1.6562850 0.2147226 -1.9391295 -0.1678343 -1.7031175 -0.1267728 -0.6938439 16 S -0.6916210 -0.1322342 1.6562850 -0.2147226 -1.9391295 -0.1678343 1.7031175 -0.1267728 -0.6938439 17 S -0.6916210 0.1322342 1.6562850 0.2147226 -1.9391295 0.1678343 1.7031175 0.1267728 -0.6938439 18 S -0.6916210 -0.1322342 -1.6562850 -0.2147226 -1.9391295 0.1678343 -1.7031175 0.1267728 -0.6938439 19 S -0.6916210 0.1322342 -1.6562850 0.2147226 -1.9391295 -0.1678343 -1.7031175 -0.1267728 -0.6938439 20 S -0.6916210 -0.1322342 1.6562850 -0.2147226 -1.9391295 -0.1678343 1.7031175 -0.1267728 -0.6938439 21 Th 5.4479654 0.5043795 0.0189434 -0.2398359 5.8777775 -0.1724092 -0.0250206 0.0212151 5.4338565 22 Th 5.4479654 -0.5043795 -0.0189434 0.2398359 5.8777775 -0.1724092 0.0250206 0.0212151 5.4338565 23 Th 5.4479654 0.5043795 -0.0189434 -0.2398359 5.8777775 0.1724092 0.0250206 -0.0212151 5.4338565 24 Th 5.4479654 -0.5043795 0.0189434 0.2398359 5.8777775 0.1724092 -0.0250206 -0.0212151 5.4338565 25 Th 5.4479654 0.5043795 0.0189434 -0.2398359 5.8777775 -0.1724092 -0.0250206 0.0212151 5.4338565 26 Th 5.4479654 -0.5043795 -0.0189434 0.2398359 5.8777775 -0.1724092 0.0250206 0.0212151 5.4338565 27 Th 5.4479654 0.5043795 -0.0189434 -0.2398359 5.8777775 0.1724092 0.0250206 -0.0212151 5.4338565 28 Th 5.4479654 -0.5043795 0.0189434 0.2398359 5.8777775 0.1724092 -0.0250206 -0.0212151 5.4338565 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 5 7 ] 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: 0.50, Number of G-points: 311, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/48) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 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 1.529 ( 0.000 0.000 0.000) 0.000 1.670 ( 0.000 0.000 0.000) 0.000 2.158 ( 0.000 0.000 0.000) 0.000 2.230 ( 0.000 0.000 0.000) 0.000 2.230 ( 0.000 0.000 0.000) 0.000 2.272 ( 0.000 0.000 0.000) 0.000 2.403 ( 0.000 0.000 0.000) 0.000 2.435 ( 0.000 0.000 0.000) 0.000 2.469 ( 0.000 0.000 0.000) 0.000 2.508 ( 0.000 0.000 0.000) 0.000 2.582 ( 0.000 0.000 0.000) 0.000 2.604 ( 0.000 0.000 0.000) 0.000 2.699 ( 0.000 0.000 0.000) 0.000 2.903 ( 0.000 0.000 0.000) 0.000 3.009 ( 0.000 0.000 0.000) 0.000 3.335 ( 0.000 0.000 0.000) 0.000 3.401 ( 0.000 0.000 0.000) 0.000 3.425 ( 0.000 0.000 0.000) 0.000 3.627 ( 0.000 0.000 0.000) 0.000 3.847 ( 0.000 0.000 0.000) 0.000 3.894 ( 0.000 0.000 0.000) 0.000 4.293 ( 0.000 0.000 0.000) 0.000 4.322 ( 0.000 0.000 0.000) 0.000 4.500 ( 0.000 0.000 0.000) 0.000 4.602 ( 0.000 0.000 0.000) 0.000 4.679 ( 0.000 0.000 0.000) 0.000 4.703 ( 0.000 0.000 0.000) 0.000 4.978 ( 0.000 0.000 0.000) 0.000 5.204 ( 0.000 0.000 0.000) 0.000 5.292 ( 0.000 0.000 0.000) 0.000 5.357 ( 0.000 0.000 0.000) 0.000 5.502 ( 0.000 0.000 0.000) 0.000 5.505 ( 0.000 0.000 0.000) 0.000 5.592 ( 0.000 0.000 0.000) 0.000 5.751 ( 0.000 0.000 0.000) 0.000 5.799 ( 0.000 0.000 0.000) 0.000 5.816 ( 0.000 0.000 0.000) 0.000 5.855 ( 0.000 0.000 0.000) 0.000 5.923 ( 0.000 0.000 0.000) 0.000 5.939 ( 0.000 0.000 0.000) 0.000 5.967 ( 0.000 0.000 0.000) 0.000 6.480 ( 0.000 0.000 0.000) 0.000 6.524 ( 0.000 0.000 0.000) 0.000 6.531 ( 0.000 0.000 0.000) 0.000 6.553 ( 0.000 0.000 0.000) 0.000 6.607 ( 0.000 0.000 0.000) 0.000 6.762 ( 0.000 0.000 0.000) 0.000 6.926 ( 0.000 0.000 0.000) 0.000 6.934 ( 0.000 0.000 0.000) 0.000 7.008 ( 0.000 0.000 0.000) 0.000 7.092 ( 0.000 0.000 0.000) 0.000 7.116 ( 0.000 0.000 0.000) 0.000 7.235 ( 0.000 0.000 0.000) 0.000 7.246 ( 0.000 0.000 0.000) 0.000 7.267 ( 0.000 0.000 0.000) 0.000 7.619 ( 0.000 0.000 0.000) 0.000 7.738 ( 0.000 0.000 0.000) 0.000 7.817 ( 0.000 0.000 0.000) 0.000 8.006 ( 0.000 0.000 0.000) 0.000 8.162 ( 0.000 0.000 0.000) 0.000 8.301 ( 0.000 0.000 0.000) 0.000 8.312 ( 0.000 0.000 0.000) 0.000 8.316 ( 0.000 0.000 0.000) 0.000 8.318 ( 0.000 0.000 0.000) 0.000 8.419 ( 0.000 0.000 0.000) 0.000 8.521 ( 0.000 0.000 0.000) 0.000 8.677 ( 0.000 0.000 0.000) 0.000 8.802 ( 0.000 0.000 0.000) 0.000 8.817 ( 0.000 0.000 0.000) 0.000 8.901 ( 0.000 0.000 0.000) 0.000 8.906 ( 0.000 0.000 0.000) 0.000 8.935 ( 0.000 0.000 0.000) 0.000 9.184 ( 0.000 0.000 0.000) 0.000 9.798 ( 0.000 0.000 0.000) 0.000 10.016 ( 0.000 0.000 0.000) 0.000 10.110 ( 0.000 0.000 0.000) 0.000 10.196 ( 0.000 0.000 0.000) 0.000 11.177 ( 0.000 0.000 0.000) 0.000 11.196 ( 0.000 0.000 0.000) 0.000 11.264 ( 0.000 0.000 0.000) 0.000 11.341 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/48) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.458 ( 24.221 0.000 0.000) 24.221 0.600 ( 30.110 0.000 0.000) 30.110 0.937 ( 47.671 0.000 0.000) 47.671 1.612 ( 7.613 0.000 0.000) 7.613 1.771 ( 9.667 0.000 0.000) 9.667 2.166 ( 0.708 0.000 0.000) 0.708 2.176 ( -5.714 0.000 0.000) 5.714 2.256 ( -9.123 0.000 0.000) 9.123 2.300 ( 6.548 0.000 0.000) 6.548 2.412 ( -0.644 0.000 0.000) 0.644 2.430 ( -0.892 0.000 0.000) 0.892 2.448 ( -5.411 0.000 0.000) 5.411 2.482 ( -3.238 0.000 0.000) 3.238 2.567 ( -3.237 0.000 0.000) 3.237 2.650 ( 3.920 0.000 0.000) 3.920 2.820 ( 10.960 0.000 0.000) 10.960 2.948 ( 4.372 0.000 0.000) 4.372 2.966 ( -4.471 0.000 0.000) 4.471 3.316 ( -3.049 0.000 0.000) 3.049 3.385 ( -1.339 0.000 0.000) 1.339 3.419 ( 0.014 0.000 0.000) 0.014 3.632 ( 0.805 0.000 0.000) 0.805 3.813 ( -8.302 0.000 0.000) 8.302 3.813 ( -3.371 0.000 0.000) 3.371 4.323 ( 2.853 0.000 0.000) 2.853 4.383 ( 6.161 0.000 0.000) 6.161 4.647 ( 4.323 0.000 0.000) 4.323 4.667 ( -1.513 0.000 0.000) 1.513 4.802 ( 8.806 0.000 0.000) 8.806 5.020 ( 4.644 0.000 0.000) 4.644 5.068 ( 7.174 0.000 0.000) 7.174 5.242 ( -5.038 0.000 0.000) 5.038 5.393 ( 1.320 0.000 0.000) 1.320 5.479 ( -0.809 0.000 0.000) 0.809 5.519 ( 13.989 0.000 0.000) 13.989 5.600 ( 1.102 0.000 0.000) 1.102 5.691 ( 15.820 0.000 0.000) 15.820 5.800 ( -0.948 0.000 0.000) 0.948 5.810 ( 1.163 0.000 0.000) 1.163 5.915 ( -1.344 0.000 0.000) 1.344 5.915 ( 7.032 0.000 0.000) 7.032 6.010 ( 9.093 0.000 0.000) 9.093 6.045 ( 7.975 0.000 0.000) 7.975 6.288 ( 10.777 0.000 0.000) 10.777 6.450 ( -3.666 0.000 0.000) 3.666 6.528 ( 5.051 0.000 0.000) 5.051 6.569 ( -3.477 0.000 0.000) 3.477 6.639 ( 3.004 0.000 0.000) 3.004 6.713 ( -2.258 0.000 0.000) 2.258 6.884 ( 0.364 0.000 0.000) 0.364 6.925 ( -10.517 0.000 0.000) 10.517 6.933 ( 0.043 0.000 0.000) 0.043 6.964 ( 0.252 0.000 0.000) 0.252 6.971 ( -3.440 0.000 0.000) 3.440 7.210 ( -2.487 0.000 0.000) 2.487 7.355 ( 5.868 0.000 0.000) 5.868 7.360 ( 8.564 0.000 0.000) 8.564 7.508 ( -5.310 0.000 0.000) 5.310 7.695 ( 1.972 0.000 0.000) 1.972 7.706 ( -3.174 0.000 0.000) 3.174 7.790 ( -2.989 0.000 0.000) 2.989 7.906 ( -8.868 0.000 0.000) 8.868 8.056 ( -6.923 0.000 0.000) 6.923 8.157 ( -9.547 0.000 0.000) 9.547 8.404 ( 2.878 0.000 0.000) 2.878 8.423 ( 0.657 0.000 0.000) 0.657 8.459 ( 10.586 0.000 0.000) 10.586 8.517 ( -0.221 0.000 0.000) 0.221 8.668 ( 0.238 0.000 0.000) 0.238 8.841 ( 3.754 0.000 0.000) 3.754 8.848 ( -3.742 0.000 0.000) 3.742 8.866 ( 2.326 0.000 0.000) 2.326 8.902 ( 6.720 0.000 0.000) 6.720 8.936 ( 1.562 0.000 0.000) 1.562 8.991 ( 3.555 0.000 0.000) 3.555 9.172 ( -1.400 0.000 0.000) 1.400 9.811 ( 1.284 0.000 0.000) 1.284 10.007 ( -1.107 0.000 0.000) 1.107 10.115 ( 0.448 0.000 0.000) 0.448 10.193 ( -0.373 0.000 0.000) 0.373 11.078 ( -9.879 0.000 0.000) 9.879 11.088 ( -10.663 0.000 0.000) 10.663 11.133 ( -13.172 0.000 0.000) 13.172 11.212 ( -13.004 0.000 0.000) 13.004 ======================= Grid point 2 (3/48) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( 23.739 0.000 0.000) 23.739 1.127 ( 25.039 0.000 0.000) 25.039 1.771 ( 37.852 0.000 0.000) 37.852 1.781 ( 9.605 0.000 0.000) 9.605 1.955 ( 0.197 0.000 0.000) 0.197 2.048 ( 0.426 0.000 0.000) 0.426 2.079 ( -9.351 0.000 0.000) 9.351 2.169 ( -0.949 0.000 0.000) 0.949 2.343 ( -4.854 0.000 0.000) 4.854 2.354 ( -3.051 0.000 0.000) 3.051 2.363 ( -6.591 0.000 0.000) 6.591 2.421 ( 4.455 0.000 0.000) 4.455 2.454 ( 0.427 0.000 0.000) 0.427 2.541 ( 1.605 0.000 0.000) 1.605 2.754 ( 7.206 0.000 0.000) 7.206 2.848 ( -7.472 0.000 0.000) 7.472 3.038 ( 11.194 0.000 0.000) 11.194 3.054 ( 6.478 0.000 0.000) 6.478 3.205 ( -8.283 0.000 0.000) 8.283 3.359 ( -1.571 0.000 0.000) 1.571 3.416 ( -1.320 0.000 0.000) 1.320 3.588 ( -15.026 0.000 0.000) 15.026 3.659 ( 1.655 0.000 0.000) 1.655 3.735 ( -4.060 0.000 0.000) 4.060 4.389 ( 3.822 0.000 0.000) 3.822 4.541 ( 9.962 0.000 0.000) 9.962 4.618 ( -3.452 0.000 0.000) 3.452 4.757 ( 7.006 0.000 0.000) 7.006 4.953 ( 5.374 0.000 0.000) 5.374 5.113 ( -8.204 0.000 0.000) 8.204 5.153 ( 8.784 0.000 0.000) 8.784 5.232 ( 8.646 0.000 0.000) 8.646 5.431 ( 2.323 0.000 0.000) 2.323 5.463 ( -0.848 0.000 0.000) 0.848 5.644 ( 3.503 0.000 0.000) 3.503 5.712 ( 4.877 0.000 0.000) 4.877 5.791 ( 0.182 0.000 0.000) 0.182 5.828 ( 0.329 0.000 0.000) 0.329 5.917 ( 2.058 0.000 0.000) 2.058 5.988 ( 11.952 0.000 0.000) 11.952 6.172 ( 17.282 0.000 0.000) 17.282 6.249 ( 13.629 0.000 0.000) 13.629 6.260 ( 14.056 0.000 0.000) 14.056 6.403 ( -0.886 0.000 0.000) 0.886 6.497 ( -3.735 0.000 0.000) 3.735 6.518 ( 11.650 0.000 0.000) 11.650 6.576 ( -4.356 0.000 0.000) 4.356 6.659 ( 7.237 0.000 0.000) 7.237 6.696 ( -10.095 0.000 0.000) 10.095 6.795 ( 6.922 0.000 0.000) 6.922 6.869 ( -2.957 0.000 0.000) 2.957 6.918 ( -0.090 0.000 0.000) 0.090 6.954 ( 2.878 0.000 0.000) 2.878 7.015 ( 2.624 0.000 0.000) 2.624 7.158 ( -2.197 0.000 0.000) 2.197 7.435 ( -1.757 0.000 0.000) 1.757 7.438 ( 3.217 0.000 0.000) 3.217 7.539 ( 8.337 0.000 0.000) 8.337 7.583 ( -13.268 0.000 0.000) 13.268 7.637 ( -2.753 0.000 0.000) 2.753 7.697 ( -6.731 0.000 0.000) 6.731 7.813 ( -0.323 0.000 0.000) 0.323 7.933 ( -6.091 0.000 0.000) 6.091 7.986 ( -7.839 0.000 0.000) 7.839 8.441 ( 1.295 0.000 0.000) 1.295 8.453 ( 2.670 0.000 0.000) 2.670 8.512 ( -0.441 0.000 0.000) 0.441 8.648 ( 7.608 0.000 0.000) 7.608 8.697 ( 2.621 0.000 0.000) 2.621 8.779 ( -2.447 0.000 0.000) 2.447 8.871 ( -1.401 0.000 0.000) 1.401 8.924 ( 4.433 0.000 0.000) 4.433 8.992 ( 3.481 0.000 0.000) 3.481 9.019 ( 4.816 0.000 0.000) 4.816 9.058 ( 3.319 0.000 0.000) 3.319 9.130 ( -2.918 0.000 0.000) 2.918 9.844 ( 2.138 0.000 0.000) 2.138 9.978 ( -1.962 0.000 0.000) 1.962 10.127 ( 0.885 0.000 0.000) 0.885 10.182 ( -0.737 0.000 0.000) 0.737 10.816 ( -18.092 0.000 0.000) 18.092 10.838 ( -13.932 0.000 0.000) 13.932 10.844 ( -13.247 0.000 0.000) 13.247 10.892 ( -18.784 0.000 0.000) 18.784 ======================= Grid point 3 (4/48) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( 21.413 0.000 0.000) 21.413 1.549 ( 19.359 0.000 0.000) 19.359 1.718 ( -17.084 0.000 0.000) 17.084 1.862 ( -13.497 0.000 0.000) 13.497 1.971 ( 10.257 0.000 0.000) 10.257 2.137 ( 0.313 0.000 0.000) 0.313 2.138 ( -1.273 0.000 0.000) 1.273 2.146 ( -5.280 0.000 0.000) 5.280 2.287 ( 6.081 0.000 0.000) 6.081 2.346 ( 1.279 0.000 0.000) 1.279 2.361 ( 1.456 0.000 0.000) 1.456 2.424 ( -4.554 0.000 0.000) 4.554 2.607 ( 4.637 0.000 0.000) 4.637 2.631 ( 23.213 0.000 0.000) 23.213 2.709 ( -6.382 0.000 0.000) 6.382 2.928 ( 11.568 0.000 0.000) 11.568 3.005 ( -13.450 0.000 0.000) 13.450 3.185 ( 6.981 0.000 0.000) 6.981 3.231 ( 8.887 0.000 0.000) 8.887 3.233 ( -19.267 0.000 0.000) 19.267 3.303 ( -4.819 0.000 0.000) 4.819 3.370 ( -5.706 0.000 0.000) 5.706 3.680 ( 0.381 0.000 0.000) 0.381 3.685 ( -0.940 0.000 0.000) 0.940 4.464 ( 4.070 0.000 0.000) 4.070 4.543 ( -4.227 0.000 0.000) 4.227 4.742 ( 10.744 0.000 0.000) 10.744 4.896 ( 6.841 0.000 0.000) 6.841 4.939 ( -9.891 0.000 0.000) 9.891 4.985 ( -1.893 0.000 0.000) 1.893 5.317 ( 7.152 0.000 0.000) 7.152 5.354 ( 3.541 0.000 0.000) 3.541 5.446 ( -0.928 0.000 0.000) 0.928 5.450 ( -0.859 0.000 0.000) 0.859 5.718 ( 3.550 0.000 0.000) 3.550 5.753 ( 0.132 0.000 0.000) 0.132 5.803 ( 0.848 0.000 0.000) 0.848 5.821 ( -0.859 0.000 0.000) 0.859 6.001 ( 6.197 0.000 0.000) 6.197 6.089 ( -1.037 0.000 0.000) 1.037 6.358 ( 1.049 0.000 0.000) 1.049 6.378 ( 2.790 0.000 0.000) 2.790 6.420 ( -3.675 0.000 0.000) 3.675 6.422 ( -0.858 0.000 0.000) 0.858 6.528 ( 13.006 0.000 0.000) 13.006 6.598 ( 5.308 0.000 0.000) 5.308 6.623 ( 1.632 0.000 0.000) 1.632 6.669 ( 3.001 0.000 0.000) 3.001 6.724 ( 0.297 0.000 0.000) 0.297 6.761 ( -7.453 0.000 0.000) 7.453 6.938 ( 7.638 0.000 0.000) 7.638 7.005 ( 5.878 0.000 0.000) 5.878 7.032 ( 3.365 0.000 0.000) 3.365 7.034 ( -1.554 0.000 0.000) 1.554 7.168 ( 4.312 0.000 0.000) 4.312 7.321 ( -11.660 0.000 0.000) 11.660 7.457 ( 3.220 0.000 0.000) 3.220 7.491 ( 2.602 0.000 0.000) 2.602 7.543 ( -3.047 0.000 0.000) 3.047 7.557 ( -7.046 0.000 0.000) 7.046 7.719 ( 6.379 0.000 0.000) 6.379 7.815 ( 0.666 0.000 0.000) 0.666 7.824 ( -5.322 0.000 0.000) 5.322 7.865 ( -4.782 0.000 0.000) 4.782 8.466 ( 1.524 0.000 0.000) 1.524 8.496 ( -1.362 0.000 0.000) 1.362 8.528 ( 5.190 0.000 0.000) 5.190 8.636 ( -5.428 0.000 0.000) 5.428 8.758 ( 3.575 0.000 0.000) 3.575 8.825 ( -3.258 0.000 0.000) 3.258 8.859 ( 7.480 0.000 0.000) 7.480 8.967 ( -2.070 0.000 0.000) 2.070 9.049 ( 2.338 0.000 0.000) 2.338 9.070 ( 0.527 0.000 0.000) 0.527 9.089 ( 0.180 0.000 0.000) 0.180 9.101 ( 0.649 0.000 0.000) 0.649 9.889 ( 2.453 0.000 0.000) 2.453 9.935 ( -2.397 0.000 0.000) 2.397 10.147 ( 1.073 0.000 0.000) 1.073 10.166 ( -0.953 0.000 0.000) 0.953 10.544 ( -7.701 0.000 0.000) 7.701 10.583 ( -11.229 0.000 0.000) 11.229 10.631 ( -6.079 0.000 0.000) 6.079 10.639 ( -6.669 0.000 0.000) 6.669 ======================= Grid point 7 (5/48) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.472 ( 0.000 23.004 0.000) 23.004 0.483 ( 0.000 23.860 0.000) 23.860 1.033 ( 0.000 50.866 0.000) 50.866 1.455 ( 0.000 -7.473 0.000) 7.473 1.574 ( 0.000 -9.402 0.000) 9.402 2.189 ( 0.000 2.784 0.000) 2.784 2.247 ( 0.000 1.560 0.000) 1.560 2.256 ( 0.000 2.174 0.000) 2.174 2.281 ( 0.000 0.734 0.000) 0.734 2.417 ( 0.000 1.368 0.000) 1.368 2.448 ( 0.000 1.277 0.000) 1.277 2.480 ( 0.000 1.059 0.000) 1.059 2.517 ( 0.000 0.685 0.000) 0.685 2.576 ( 0.000 -2.577 0.000) 2.577 2.607 ( 0.000 -0.682 0.000) 0.682 2.756 ( 0.000 8.736 0.000) 8.736 2.915 ( 0.000 1.147 0.000) 1.147 3.001 ( 0.000 -0.766 0.000) 0.766 3.211 ( 0.000 -15.948 0.000) 15.948 3.428 ( 0.000 3.454 0.000) 3.454 3.461 ( 0.000 4.471 0.000) 4.471 3.546 ( 0.000 -8.104 0.000) 8.104 3.816 ( 0.000 -3.213 0.000) 3.213 3.863 ( 0.000 -3.125 0.000) 3.125 4.297 ( 0.000 0.364 0.000) 0.364 4.318 ( 0.000 -0.302 0.000) 0.302 4.496 ( 0.000 -0.077 0.000) 0.077 4.594 ( 0.000 -1.360 0.000) 1.360 4.683 ( 0.000 1.092 0.000) 1.092 4.728 ( 0.000 2.019 0.000) 2.019 5.005 ( 0.000 2.573 0.000) 2.573 5.178 ( 0.000 -2.358 0.000) 2.358 5.386 ( 0.000 2.877 0.000) 2.877 5.501 ( 0.000 -0.220 0.000) 0.220 5.504 ( 0.000 0.310 0.000) 0.310 5.573 ( 0.000 -1.748 0.000) 1.748 5.601 ( 0.000 0.296 0.000) 0.296 5.707 ( 0.000 -4.186 0.000) 4.186 5.762 ( 0.000 -3.072 0.000) 3.072 5.809 ( 0.000 -0.477 0.000) 0.477 5.826 ( 0.000 -2.647 0.000) 2.647 5.868 ( 0.000 -3.199 0.000) 3.199 5.995 ( 0.000 2.448 0.000) 2.448 6.024 ( 0.000 3.342 0.000) 3.342 6.480 ( 0.000 -0.148 0.000) 0.148 6.496 ( 0.000 -1.541 0.000) 1.541 6.551 ( 0.000 0.835 0.000) 0.835 6.592 ( 0.000 -1.217 0.000) 1.217 6.782 ( 0.000 2.056 0.000) 2.056 6.922 ( 0.000 -0.431 0.000) 0.431 6.937 ( 0.000 0.274 0.000) 0.274 7.029 ( 0.000 1.864 0.000) 1.864 7.072 ( 0.000 -3.973 0.000) 3.973 7.094 ( 0.000 0.102 0.000) 0.102 7.243 ( 0.000 0.649 0.000) 0.649 7.260 ( 0.000 1.282 0.000) 1.282 7.276 ( 0.000 0.770 0.000) 0.770 7.374 ( 0.000 -4.166 0.000) 4.166 7.704 ( 0.000 6.754 0.000) 6.754 7.838 ( 0.000 1.940 0.000) 1.940 7.995 ( 0.000 -1.044 0.000) 1.044 8.122 ( 0.000 -3.786 0.000) 3.786 8.290 ( 0.000 -0.946 0.000) 0.946 8.295 ( 0.000 -0.559 0.000) 0.559 8.347 ( 0.000 2.707 0.000) 2.707 8.352 ( 0.000 2.034 0.000) 2.034 8.420 ( 0.000 0.026 0.000) 0.026 8.507 ( 0.000 -1.423 0.000) 1.423 8.678 ( 0.000 0.314 0.000) 0.314 8.763 ( 0.000 -1.188 0.000) 1.188 8.848 ( 0.000 2.645 0.000) 2.645 8.894 ( 0.000 -0.673 0.000) 0.673 8.930 ( 0.000 -0.109 0.000) 0.109 8.941 ( 0.000 3.237 0.000) 3.237 9.154 ( 0.000 -3.035 0.000) 3.035 9.163 ( 0.000 -2.303 0.000) 2.303 9.822 ( 0.000 2.285 0.000) 2.285 9.997 ( 0.000 -1.853 0.000) 1.853 10.118 ( 0.000 0.749 0.000) 0.749 10.188 ( 0.000 -0.850 0.000) 0.850 11.180 ( 0.000 0.232 0.000) 0.232 11.194 ( 0.000 -0.134 0.000) 0.134 11.274 ( 0.000 0.913 0.000) 0.913 11.347 ( 0.000 -0.809 0.000) 0.809 ======================= Grid point 8 (6/48) ======================= q-point: ( 0.14 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( 23.140 13.693 0.000) 26.888 0.775 ( 19.015 18.723 0.000) 26.686 1.305 ( 28.000 34.149 0.000) 44.161 1.545 ( 8.428 -6.350 0.000) 10.552 1.678 ( 9.852 -8.909 0.000) 13.283 2.200 ( -1.619 2.616 0.000) 3.076 2.215 ( -1.894 3.693 0.000) 4.150 2.244 ( -5.886 -0.289 0.000) 5.893 2.310 ( 5.064 0.872 0.000) 5.138 2.412 ( -1.028 -0.123 0.000) 1.035 2.440 ( -2.015 1.059 0.000) 2.276 2.472 ( -3.387 1.993 0.000) 3.930 2.498 ( 1.673 1.892 0.000) 2.525 2.536 ( -3.257 -2.755 0.000) 4.266 2.701 ( 0.328 5.416 0.000) 5.426 2.764 ( 7.613 -4.293 0.000) 8.740 2.939 ( 2.802 -0.961 0.000) 2.962 3.009 ( 0.196 3.999 0.000) 4.004 3.254 ( 3.744 -13.169 0.000) 13.691 3.384 ( -4.516 3.017 0.000) 5.431 3.428 ( -2.387 3.885 0.000) 4.560 3.560 ( 1.483 -7.068 0.000) 7.221 3.783 ( -3.132 -2.853 0.000) 4.237 3.791 ( -7.353 -2.227 0.000) 7.683 4.317 ( 2.775 -0.227 0.000) 2.784 4.373 ( 5.483 -0.924 0.000) 5.560 4.629 ( 2.316 -1.354 0.000) 2.683 4.695 ( 1.750 2.576 0.000) 3.114 4.771 ( 13.381 -9.655 0.000) 16.501 4.834 ( 9.838 -2.523 0.000) 10.156 5.041 ( 4.064 2.066 0.000) 4.559 5.241 ( 4.357 -2.935 0.000) 5.253 5.448 ( -6.143 2.468 0.000) 6.620 5.471 ( -1.453 -0.578 0.000) 1.563 5.544 ( 13.557 2.339 0.000) 13.757 5.608 ( 0.563 0.061 0.000) 0.567 5.658 ( 11.446 -2.366 0.000) 11.688 5.762 ( 1.443 -3.088 0.000) 3.408 5.824 ( 2.524 0.750 0.000) 2.633 5.848 ( 8.119 -5.139 0.000) 9.609 5.890 ( 8.186 -1.151 0.000) 8.266 6.037 ( 5.124 0.331 0.000) 5.134 6.057 ( 6.719 1.033 0.000) 6.798 6.101 ( 16.433 -6.042 0.000) 17.508 6.503 ( -3.828 2.094 0.000) 4.363 6.526 ( 4.609 -0.244 0.000) 4.615 6.544 ( 4.274 -2.636 0.000) 5.022 6.561 ( -2.607 -0.605 0.000) 2.676 6.722 ( -4.998 1.649 0.000) 5.263 6.905 ( -10.675 -1.811 0.000) 10.827 6.921 ( -0.682 -0.089 0.000) 0.688 6.940 ( 1.047 -1.790 0.000) 2.074 7.009 ( -3.462 2.872 0.000) 4.498 7.048 ( -2.761 4.099 0.000) 4.942 7.221 ( -1.884 1.149 0.000) 2.207 7.347 ( 7.257 -1.128 0.000) 7.345 7.356 ( 5.922 0.132 0.000) 5.924 7.435 ( 3.309 -5.883 0.000) 6.749 7.622 ( -7.578 6.385 0.000) 9.909 7.805 ( -3.436 1.371 0.000) 3.699 7.894 ( -7.325 -0.761 0.000) 7.365 7.994 ( -8.630 -4.845 0.000) 9.897 8.115 ( -13.447 12.587 0.000) 18.419 8.201 ( -8.504 3.022 0.000) 9.025 8.401 ( 4.821 -0.386 0.000) 4.837 8.412 ( 1.478 -0.820 0.000) 1.690 8.477 ( 8.687 1.677 0.000) 8.847 8.539 ( 0.692 1.121 0.000) 1.317 8.685 ( 1.021 1.652 0.000) 1.942 8.814 ( 4.167 -1.746 0.000) 4.518 8.854 ( -3.858 0.650 0.000) 3.912 8.902 ( 4.623 0.126 0.000) 4.624 8.903 ( 0.842 0.049 0.000) 0.843 8.962 ( -4.644 2.439 0.000) 5.246 9.018 ( 4.047 2.583 0.000) 4.801 9.169 ( -1.481 -0.394 0.000) 1.532 9.833 ( 1.042 2.065 0.000) 2.313 9.990 ( -0.858 -1.676 0.000) 1.882 10.122 ( 0.420 0.724 0.000) 0.837 10.187 ( -0.228 -0.685 0.000) 0.722 11.074 ( -10.198 -0.122 0.000) 10.199 11.085 ( -10.832 -0.227 0.000) 10.835 11.143 ( -13.046 0.960 0.000) 13.082 11.209 ( -13.286 -0.447 0.000) 13.293 ======================= Grid point 9 (7/48) ======================= q-point: ( 0.29 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 18.192 16.160 0.000) 24.333 1.203 ( 22.501 7.298 0.000) 23.655 1.724 ( 10.632 -5.389 0.000) 11.920 1.887 ( 10.129 -8.027 0.000) 12.924 1.920 ( 29.026 13.864 0.000) 32.167 2.060 ( -10.083 3.652 0.000) 10.724 2.104 ( -8.287 2.773 0.000) 8.739 2.234 ( 1.027 4.603 0.000) 4.717 2.337 ( -1.644 -0.107 0.000) 1.647 2.355 ( -7.141 0.232 0.000) 7.144 2.395 ( -2.464 1.463 0.000) 2.866 2.404 ( 1.681 -0.124 0.000) 1.686 2.534 ( 2.801 1.052 0.000) 2.992 2.564 ( 3.043 8.176 0.000) 8.724 2.674 ( -0.090 -3.516 0.000) 3.517 2.924 ( 5.133 -1.470 0.000) 5.339 3.019 ( 5.417 -3.448 0.000) 6.422 3.024 ( 4.127 4.576 0.000) 6.162 3.252 ( -8.103 4.131 0.000) 9.095 3.324 ( 1.475 -9.723 0.000) 9.834 3.384 ( -2.656 1.733 0.000) 3.171 3.586 ( -8.907 -3.095 0.000) 9.429 3.606 ( -1.913 -2.104 0.000) 2.844 3.716 ( -3.254 -1.847 0.000) 3.742 4.385 ( 4.002 -0.172 0.000) 4.006 4.499 ( 6.052 -3.291 0.000) 6.889 4.647 ( 1.185 2.190 0.000) 2.490 4.774 ( 5.950 1.808 0.000) 6.219 4.934 ( 4.634 -4.148 0.000) 6.219 4.976 ( 2.581 -6.657 0.000) 7.139 5.161 ( 8.059 0.923 0.000) 8.112 5.285 ( 0.723 0.874 0.000) 1.134 5.406 ( 1.902 -1.491 0.000) 2.416 5.439 ( -1.709 -1.979 0.000) 2.615 5.646 ( 3.336 0.105 0.000) 3.338 5.721 ( 4.042 0.477 0.000) 4.070 5.770 ( 1.634 -1.600 0.000) 2.287 5.795 ( 1.563 -1.797 0.000) 2.381 5.944 ( 2.752 1.505 0.000) 3.137 5.986 ( 10.210 -0.407 0.000) 10.219 6.169 ( 17.772 0.016 0.000) 17.772 6.237 ( 14.437 -1.202 0.000) 14.487 6.254 ( 13.484 -0.433 0.000) 13.491 6.365 ( 5.087 -3.662 0.000) 6.268 6.482 ( 4.607 -2.468 0.000) 5.226 6.487 ( -4.234 -1.051 0.000) 4.362 6.599 ( 0.902 2.382 0.000) 2.547 6.644 ( 2.191 0.351 0.000) 2.219 6.682 ( 3.373 -2.859 0.000) 4.422 6.735 ( -1.717 1.373 0.000) 2.198 6.921 ( -1.457 0.188 0.000) 1.469 6.939 ( 2.669 0.045 0.000) 2.670 7.001 ( 2.453 -0.693 0.000) 2.549 7.007 ( -1.837 3.621 0.000) 4.061 7.184 ( -1.620 2.475 0.000) 2.958 7.429 ( -2.519 -7.032 0.000) 7.470 7.438 ( 2.576 0.082 0.000) 2.578 7.472 ( -2.800 2.229 0.000) 3.578 7.539 ( 5.890 0.871 0.000) 5.954 7.711 ( -6.306 1.188 0.000) 6.417 7.730 ( -10.189 1.883 0.000) 10.362 7.844 ( -6.844 -5.924 0.000) 9.051 7.927 ( -5.386 8.901 0.000) 10.404 8.046 ( -7.453 3.008 0.000) 8.037 8.453 ( 1.743 1.001 0.000) 2.010 8.456 ( 2.972 0.393 0.000) 2.998 8.542 ( -0.098 2.502 0.000) 2.504 8.643 ( 6.423 -0.516 0.000) 6.444 8.719 ( 2.507 2.139 0.000) 3.295 8.793 ( -1.440 1.484 0.000) 2.068 8.875 ( -0.455 -0.170 0.000) 0.486 8.908 ( 3.040 -1.341 0.000) 3.322 8.987 ( 3.500 -0.558 0.000) 3.544 8.995 ( 4.537 -1.538 0.000) 4.791 9.081 ( 2.208 1.465 0.000) 2.650 9.123 ( -3.272 -0.526 0.000) 3.314 9.859 ( 1.688 1.409 0.000) 2.199 9.966 ( -1.627 -1.145 0.000) 1.989 10.133 ( 0.776 0.600 0.000) 0.981 10.179 ( -0.589 -0.380 0.000) 0.701 10.815 ( -17.051 -0.022 0.000) 17.051 10.835 ( -13.656 -0.717 0.000) 13.675 10.845 ( -15.052 0.666 0.000) 15.067 10.891 ( -18.365 -0.291 0.000) 18.368 ======================= Grid point 10 (8/48) ======================= q-point: ( 0.43 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 17.848 10.363 0.000) 20.639 1.585 ( 16.498 3.854 0.000) 16.942 1.808 ( -13.477 7.831 0.000) 15.587 1.886 ( -5.226 0.429 0.000) 5.243 1.945 ( 2.374 -0.247 0.000) 2.387 2.026 ( 1.474 -6.721 0.000) 6.880 2.127 ( -0.526 -1.411 0.000) 1.506 2.190 ( -8.289 -1.662 0.000) 8.454 2.284 ( 4.997 2.733 0.000) 5.696 2.382 ( -3.667 0.311 0.000) 3.680 2.413 ( 3.001 3.412 0.000) 4.544 2.456 ( 1.575 3.424 0.000) 3.769 2.601 ( 3.686 1.655 0.000) 4.041 2.658 ( -0.975 -0.249 0.000) 1.006 2.721 ( 18.051 7.275 0.000) 19.461 3.029 ( 9.375 6.810 0.000) 11.588 3.051 ( -12.934 4.035 0.000) 13.548 3.139 ( 6.103 -4.338 0.000) 7.488 3.155 ( 6.400 -5.054 0.000) 8.155 3.294 ( -16.739 5.036 0.000) 17.481 3.307 ( -3.462 -5.435 0.000) 6.444 3.307 ( -4.759 -1.344 0.000) 4.945 3.649 ( 2.120 -3.229 0.000) 3.863 3.676 ( -1.147 -1.126 0.000) 1.607 4.460 ( 3.783 -0.254 0.000) 3.791 4.523 ( -2.381 -1.859 0.000) 3.021 4.753 ( 8.583 1.116 0.000) 8.655 4.893 ( 5.874 -0.128 0.000) 5.875 4.909 ( -6.792 -2.935 0.000) 7.399 4.971 ( -1.818 -1.386 0.000) 2.286 5.303 ( 5.000 -1.684 0.000) 5.276 5.316 ( 1.951 -3.249 0.000) 3.790 5.418 ( 0.172 -1.808 0.000) 1.816 5.440 ( -0.050 -0.938 0.000) 0.939 5.716 ( 3.390 -0.036 0.000) 3.390 5.753 ( -0.170 0.068 0.000) 0.184 5.791 ( 0.914 -1.172 0.000) 1.486 5.807 ( -0.369 -1.135 0.000) 1.194 6.013 ( 4.725 0.882 0.000) 4.806 6.079 ( -0.428 -1.093 0.000) 1.174 6.358 ( 0.755 0.131 0.000) 0.766 6.380 ( 1.950 0.157 0.000) 1.956 6.410 ( -1.729 -0.618 0.000) 1.836 6.421 ( 0.085 -0.123 0.000) 0.149 6.508 ( 11.321 -1.368 0.000) 11.403 6.562 ( 4.987 -2.901 0.000) 5.769 6.625 ( 0.917 0.694 0.000) 1.150 6.671 ( 0.157 -0.561 0.000) 0.583 6.752 ( 2.480 1.198 0.000) 2.754 6.777 ( 0.312 3.830 0.000) 3.842 6.967 ( 3.231 -2.387 0.000) 4.017 6.972 ( 1.239 1.154 0.000) 1.693 7.046 ( 5.390 1.300 0.000) 5.545 7.079 ( 4.404 2.301 0.000) 4.969 7.175 ( 1.887 0.970 0.000) 2.122 7.301 ( -8.427 -2.140 0.000) 8.695 7.461 ( 0.358 0.667 0.000) 0.757 7.462 ( 0.373 -1.523 0.000) 1.568 7.564 ( -3.122 1.978 0.000) 3.696 7.591 ( -5.151 2.070 0.000) 5.552 7.665 ( 3.676 -3.348 0.000) 4.972 7.737 ( -4.503 -5.203 0.000) 6.881 7.881 ( 0.129 4.267 0.000) 4.269 7.928 ( -4.612 2.953 0.000) 5.476 8.484 ( 1.700 1.563 0.000) 2.309 8.506 ( 0.481 0.744 0.000) 0.886 8.556 ( 3.152 2.594 0.000) 4.082 8.641 ( -4.304 0.406 0.000) 4.323 8.777 ( 3.129 1.921 0.000) 3.671 8.836 ( -2.872 1.039 0.000) 3.054 8.862 ( 6.633 0.366 0.000) 6.643 8.955 ( -0.968 -1.161 0.000) 1.512 9.041 ( 1.825 -0.697 0.000) 1.954 9.055 ( 1.280 -1.258 0.000) 1.795 9.072 ( -0.189 -1.475 0.000) 1.487 9.093 ( -0.865 -0.909 0.000) 1.255 9.894 ( 1.938 0.498 0.000) 2.001 9.931 ( -1.945 -0.404 0.000) 1.986 10.150 ( 0.859 0.274 0.000) 0.902 10.165 ( -0.796 -0.083 0.000) 0.800 10.547 ( -7.909 0.289 0.000) 7.914 10.578 ( -10.629 -0.466 0.000) 10.640 10.631 ( -6.210 0.028 0.000) 6.210 10.638 ( -6.787 -0.099 0.000) 6.788 ======================= Grid point 14 (9/48) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( 0.000 18.556 0.000) 18.556 0.921 ( 0.000 19.534 0.000) 19.534 1.248 ( 0.000 -12.579 0.000) 12.579 1.321 ( 0.000 -15.534 0.000) 15.534 1.969 ( 0.000 43.290 0.000) 43.290 2.246 ( 0.000 2.505 0.000) 2.505 2.272 ( 0.000 0.192 0.000) 0.192 2.292 ( 0.000 1.053 0.000) 1.053 2.294 ( 0.000 0.557 0.000) 0.557 2.455 ( 0.000 2.472 0.000) 2.472 2.480 ( 0.000 1.351 0.000) 1.351 2.505 ( 0.000 1.305 0.000) 1.305 2.515 ( 0.000 -3.810 0.000) 3.810 2.523 ( 0.000 -0.318 0.000) 0.318 2.560 ( 0.000 -2.772 0.000) 2.772 2.740 ( 0.000 -30.098 0.000) 30.098 2.945 ( 0.000 1.792 0.000) 1.792 2.979 ( 0.000 -1.486 0.000) 1.486 3.016 ( 0.000 15.715 0.000) 15.715 3.321 ( 0.000 -14.263 0.000) 14.263 3.523 ( 0.000 4.990 0.000) 4.990 3.553 ( 0.000 3.230 0.000) 3.230 3.747 ( 0.000 -2.436 0.000) 2.436 3.780 ( 0.000 -4.579 0.000) 4.579 4.305 ( 0.000 0.410 0.000) 0.410 4.312 ( 0.000 -0.319 0.000) 0.319 4.508 ( 0.000 1.407 0.000) 1.407 4.550 ( 0.000 -2.620 0.000) 2.620 4.726 ( 0.000 2.556 0.000) 2.556 4.755 ( 0.000 0.089 0.000) 0.089 5.065 ( 0.000 3.136 0.000) 3.136 5.124 ( 0.000 -2.926 0.000) 2.926 5.464 ( 0.000 4.916 0.000) 4.916 5.506 ( 0.000 0.825 0.000) 0.825 5.528 ( 0.000 2.501 0.000) 2.501 5.534 ( 0.000 -1.941 0.000) 1.941 5.564 ( 0.000 -4.391 0.000) 4.391 5.607 ( 0.000 -5.250 0.000) 5.250 5.730 ( 0.000 0.657 0.000) 0.657 5.769 ( 0.000 -2.763 0.000) 2.763 5.805 ( 0.000 0.198 0.000) 0.198 5.822 ( 0.000 -1.559 0.000) 1.559 6.045 ( 0.000 2.121 0.000) 2.121 6.063 ( 0.000 0.469 0.000) 0.469 6.473 ( 0.000 -0.399 0.000) 0.399 6.473 ( 0.000 -0.613 0.000) 0.613 6.563 ( 0.000 0.441 0.000) 0.441 6.572 ( 0.000 -0.663 0.000) 0.663 6.841 ( 0.000 3.664 0.000) 3.664 6.903 ( 0.000 -1.935 0.000) 1.935 6.947 ( 0.000 0.889 0.000) 0.889 6.988 ( 0.000 -3.695 0.000) 3.695 7.067 ( 0.000 1.747 0.000) 1.747 7.091 ( 0.000 -0.609 0.000) 0.609 7.261 ( 0.000 1.346 0.000) 1.346 7.284 ( 0.000 0.852 0.000) 0.852 7.289 ( 0.000 0.342 0.000) 0.342 7.302 ( 0.000 -2.898 0.000) 2.898 7.840 ( 0.000 6.061 0.000) 6.061 7.879 ( 0.000 1.568 0.000) 1.568 7.973 ( 0.000 -0.587 0.000) 0.587 8.027 ( 0.000 -5.346 0.000) 5.346 8.279 ( 0.000 -0.160 0.000) 0.160 8.283 ( 0.000 -0.515 0.000) 0.515 8.391 ( 0.000 1.751 0.000) 1.751 8.408 ( 0.000 3.230 0.000) 3.230 8.415 ( 0.000 -0.666 0.000) 0.666 8.467 ( 0.000 -2.609 0.000) 2.609 8.696 ( 0.000 1.528 0.000) 1.528 8.732 ( 0.000 -1.881 0.000) 1.881 8.879 ( 0.000 0.128 0.000) 0.128 8.881 ( 0.000 -0.427 0.000) 0.427 8.971 ( 0.000 4.548 0.000) 4.548 9.018 ( 0.000 4.323 0.000) 4.323 9.072 ( 0.000 -5.021 0.000) 5.021 9.101 ( 0.000 -3.882 0.000) 3.882 9.880 ( 0.000 3.393 0.000) 3.393 9.947 ( 0.000 -3.137 0.000) 3.137 10.138 ( 0.000 1.286 0.000) 1.286 10.165 ( 0.000 -1.350 0.000) 1.350 11.185 ( 0.000 0.296 0.000) 0.296 11.191 ( 0.000 -0.226 0.000) 0.226 11.297 ( 0.000 1.388 0.000) 1.388 11.325 ( 0.000 -1.334 0.000) 1.334 ======================= Grid point 15 (10/48) ======================= q-point: ( 0.14 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 15.416 15.360 0.000) 21.762 1.118 ( 16.698 16.146 0.000) 23.228 1.351 ( 9.785 -11.506 0.000) 15.105 1.445 ( 11.488 -14.112 0.000) 18.197 2.038 ( 7.176 32.744 0.000) 33.521 2.238 ( -3.658 0.545 0.000) 3.698 2.264 ( -2.119 3.113 0.000) 3.766 2.290 ( 2.032 3.170 0.000) 3.765 2.323 ( 3.920 -0.126 0.000) 3.922 2.424 ( -3.296 1.392 0.000) 3.578 2.444 ( -3.320 -2.869 0.000) 4.388 2.465 ( -4.870 -2.860 0.000) 5.647 2.539 ( 3.878 3.269 0.000) 5.072 2.539 ( 3.243 3.769 0.000) 4.972 2.655 ( 7.672 -4.940 0.000) 9.125 2.834 ( 7.270 -20.683 0.000) 21.924 2.846 ( -6.873 6.037 0.000) 9.148 2.934 ( 0.265 -5.890 0.000) 5.896 3.139 ( 5.907 9.843 0.000) 11.480 3.366 ( 3.626 -11.558 0.000) 12.114 3.476 ( -4.705 4.305 0.000) 6.378 3.503 ( -4.678 2.403 0.000) 5.259 3.721 ( -2.433 -2.357 0.000) 3.388 3.733 ( -4.587 -2.993 0.000) 5.477 4.324 ( 2.525 0.946 0.000) 2.697 4.349 ( 3.726 -1.413 0.000) 3.985 4.609 ( 4.947 -0.248 0.000) 4.953 4.635 ( 9.929 -3.392 0.000) 10.493 4.762 ( 3.198 3.811 0.000) 4.975 4.821 ( 5.527 -1.653 0.000) 5.769 5.097 ( 3.417 3.374 0.000) 4.802 5.168 ( 4.037 -3.846 0.000) 5.576 5.464 ( -2.871 0.006 0.000) 2.871 5.468 ( -4.521 -0.041 0.000) 4.521 5.582 ( 8.292 0.342 0.000) 8.299 5.592 ( 2.212 -1.156 0.000) 2.496 5.647 ( 11.566 2.851 0.000) 11.913 5.739 ( 12.718 -4.382 0.000) 13.452 5.744 ( 1.711 0.026 0.000) 1.711 5.789 ( 3.181 -2.931 0.000) 4.326 5.915 ( 11.204 2.675 0.000) 11.519 5.977 ( 13.129 -3.585 0.000) 13.610 6.078 ( 4.211 0.905 0.000) 4.308 6.085 ( 3.662 0.322 0.000) 3.676 6.512 ( 1.757 -0.306 0.000) 1.783 6.516 ( 3.117 -0.607 0.000) 3.176 6.540 ( -0.110 0.989 0.000) 0.995 6.552 ( -0.562 -0.348 0.000) 0.661 6.771 ( -5.953 3.298 0.000) 6.805 6.845 ( -7.843 -3.882 0.000) 8.751 6.918 ( -1.379 -0.110 0.000) 1.383 6.920 ( -1.089 -0.382 0.000) 1.154 7.059 ( -2.620 1.944 0.000) 3.263 7.080 ( -2.066 -0.034 0.000) 2.066 7.254 ( -0.238 2.212 0.000) 2.225 7.306 ( 2.074 -2.816 0.000) 3.497 7.360 ( 5.886 0.348 0.000) 5.897 7.372 ( 5.782 -1.153 0.000) 5.896 7.758 ( -8.733 6.834 0.000) 11.089 7.837 ( -4.276 1.707 0.000) 4.604 7.871 ( -6.346 -1.472 0.000) 6.515 7.886 ( -9.871 -5.977 0.000) 11.539 8.241 ( -8.728 2.486 0.000) 9.075 8.248 ( -8.451 1.393 0.000) 8.565 8.392 ( 6.042 -0.300 0.000) 6.050 8.396 ( 3.621 -0.701 0.000) 3.688 8.515 ( 6.237 1.905 0.000) 6.522 8.543 ( 3.782 -0.736 0.000) 3.853 8.726 ( 2.518 2.335 0.000) 3.434 8.773 ( 3.494 -2.357 0.000) 4.214 8.869 ( -2.470 0.756 0.000) 2.583 8.887 ( 0.468 -1.092 0.000) 1.188 8.922 ( 0.571 2.071 0.000) 2.149 8.966 ( -4.047 -1.734 0.000) 4.402 9.081 ( 2.854 3.502 0.000) 4.517 9.143 ( 0.269 -2.432 0.000) 2.447 9.885 ( 0.431 3.061 0.000) 3.091 9.945 ( -0.284 -2.829 0.000) 2.843 10.142 ( 0.316 1.225 0.000) 1.265 10.167 ( 0.098 -1.242 0.000) 1.246 11.076 ( -10.770 0.202 0.000) 10.772 11.080 ( -10.943 -0.258 0.000) 10.946 11.167 ( -13.015 1.352 0.000) 13.085 11.192 ( -13.150 -1.186 0.000) 13.203 ======================= Grid point 16 (11/48) ======================= q-point: ( 0.29 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 17.577 10.220 0.000) 20.333 1.427 ( 14.759 14.348 0.000) 20.584 1.579 ( 13.173 -9.016 0.000) 15.963 1.685 ( 12.185 -11.891 0.000) 17.025 2.120 ( -1.644 3.423 0.000) 3.797 2.131 ( -7.264 2.107 0.000) 7.564 2.228 ( -6.278 6.712 0.000) 9.190 2.311 ( -7.553 -0.767 0.000) 7.592 2.329 ( -0.846 1.183 0.000) 1.454 2.375 ( 4.177 1.729 0.000) 4.521 2.402 ( 2.959 0.999 0.000) 3.123 2.415 ( -0.180 0.882 0.000) 0.900 2.630 ( 5.799 7.738 0.000) 9.670 2.678 ( 9.296 9.745 0.000) 13.468 2.766 ( 0.739 9.429 0.000) 9.458 2.800 ( 6.860 -7.729 0.000) 10.335 2.918 ( 3.437 -7.095 0.000) 7.884 3.036 ( 7.948 -18.447 0.000) 20.086 3.205 ( 1.332 11.016 0.000) 11.096 3.340 ( -8.201 4.039 0.000) 9.141 3.396 ( -6.458 -0.985 0.000) 6.533 3.425 ( 0.472 -10.333 0.000) 10.344 3.631 ( -5.313 2.009 0.000) 5.680 3.673 ( -2.192 -2.270 0.000) 3.156 4.392 ( 4.086 1.135 0.000) 4.241 4.434 ( 4.304 -2.978 0.000) 5.234 4.699 ( 4.428 3.372 0.000) 5.565 4.793 ( 5.698 -6.392 0.000) 8.563 4.830 ( 3.878 3.830 0.000) 5.451 4.909 ( 3.061 -3.608 0.000) 4.731 5.193 ( 5.959 2.339 0.000) 6.401 5.250 ( 3.280 -3.143 0.000) 4.543 5.395 ( -1.774 0.036 0.000) 1.774 5.405 ( -2.659 -1.141 0.000) 2.893 5.656 ( 3.952 1.216 0.000) 4.135 5.696 ( 3.966 -2.536 0.000) 4.707 5.767 ( 1.485 0.830 0.000) 1.702 5.777 ( 1.411 -0.295 0.000) 1.441 5.960 ( 6.407 0.386 0.000) 6.419 5.971 ( 9.231 -0.855 0.000) 9.270 6.180 ( 15.878 1.013 0.000) 15.910 6.206 ( 14.899 -1.669 0.000) 14.992 6.257 ( 13.841 1.011 0.000) 13.877 6.295 ( 12.385 -2.839 0.000) 12.706 6.456 ( -2.964 -0.316 0.000) 2.981 6.464 ( -4.632 -0.996 0.000) 4.738 6.658 ( 8.586 2.517 0.000) 8.947 6.664 ( 3.344 0.857 0.000) 3.452 6.672 ( -3.152 1.375 0.000) 3.439 6.724 ( 1.518 -2.197 0.000) 2.670 6.917 ( -0.047 -0.269 0.000) 0.273 6.926 ( 2.637 -0.995 0.000) 2.819 7.008 ( -0.915 1.113 0.000) 1.441 7.028 ( -2.722 -0.605 0.000) 2.788 7.248 ( -0.629 3.737 0.000) 3.790 7.324 ( -0.846 -4.151 0.000) 4.236 7.446 ( 2.082 0.837 0.000) 2.244 7.470 ( 1.992 -1.390 0.000) 2.429 7.610 ( -3.289 5.251 0.000) 6.196 7.719 ( -6.111 -4.558 0.000) 7.624 7.739 ( -6.402 -0.486 0.000) 6.420 7.745 ( -7.530 0.076 0.000) 7.530 8.054 ( -8.858 3.652 0.000) 9.581 8.082 ( -8.275 0.489 0.000) 8.289 8.467 ( 3.314 0.524 0.000) 3.355 8.469 ( 2.691 0.413 0.000) 2.722 8.590 ( 1.419 2.119 0.000) 2.550 8.624 ( 3.891 -1.383 0.000) 4.130 8.775 ( 2.877 3.341 0.000) 4.409 8.835 ( -0.117 2.606 0.000) 2.609 8.840 ( 3.263 -3.003 0.000) 4.434 8.883 ( -0.178 -1.776 0.000) 1.785 8.974 ( 3.663 -0.462 0.000) 3.692 8.975 ( 3.166 -0.447 0.000) 3.198 9.104 ( -0.488 0.864 0.000) 0.992 9.115 ( -2.981 -0.334 0.000) 2.999 9.895 ( 0.562 2.060 0.000) 2.135 9.935 ( -0.703 -1.916 0.000) 2.041 10.149 ( 0.426 0.929 0.000) 1.022 10.167 ( -0.122 -0.804 0.000) 0.813 10.816 ( -15.704 0.150 0.000) 15.705 10.822 ( -14.566 -0.480 0.000) 14.574 10.861 ( -16.504 0.952 0.000) 16.532 10.879 ( -17.575 -0.806 0.000) 17.594 ======================= Grid point 17 (12/48) ======================= q-point: ( 0.43 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 11.961 10.658 0.000) 16.021 1.691 ( 13.431 6.379 0.000) 14.869 1.815 ( 10.534 -5.664 0.000) 11.960 1.874 ( 6.900 -8.483 0.000) 10.935 1.967 ( -9.050 7.011 0.000) 11.448 2.020 ( -9.882 5.441 0.000) 11.281 2.075 ( -4.842 -3.910 0.000) 6.223 2.123 ( -9.490 -4.571 0.000) 10.533 2.339 ( 1.016 2.185 0.000) 2.410 2.373 ( -2.085 -1.141 0.000) 2.377 2.440 ( 2.157 0.708 0.000) 2.270 2.466 ( 0.390 -1.652 0.000) 1.698 2.725 ( 3.671 9.058 0.000) 9.774 2.768 ( -0.660 8.510 0.000) 8.536 2.911 ( 12.753 10.581 0.000) 16.571 2.970 ( 8.988 -6.833 0.000) 11.290 3.013 ( 4.676 -7.931 0.000) 9.207 3.117 ( -2.702 -5.086 0.000) 5.759 3.173 ( -5.526 0.063 0.000) 5.527 3.244 ( 1.536 7.327 0.000) 7.486 3.257 ( -4.932 -2.041 0.000) 5.337 3.373 ( -6.248 -0.540 0.000) 6.271 3.583 ( 1.161 -0.977 0.000) 1.517 3.632 ( -2.606 -3.438 0.000) 4.314 4.460 ( 2.678 0.434 0.000) 2.713 4.483 ( 0.559 -1.845 0.000) 1.927 4.785 ( 4.415 2.175 0.000) 4.922 4.841 ( -0.625 -3.459 0.000) 3.515 4.900 ( 3.098 1.073 0.000) 3.279 4.934 ( -0.300 -2.096 0.000) 2.118 5.259 ( -0.542 -1.800 0.000) 1.880 5.260 ( 0.318 -1.772 0.000) 1.800 5.404 ( 2.465 0.314 0.000) 2.485 5.419 ( 1.768 -1.026 0.000) 2.044 5.724 ( 2.991 0.968 0.000) 3.144 5.749 ( 1.587 -1.062 0.000) 1.910 5.771 ( -0.521 -0.040 0.000) 0.523 5.785 ( -0.676 -1.022 0.000) 1.225 6.029 ( 2.319 0.850 0.000) 2.470 6.052 ( 0.619 -1.404 0.000) 1.534 6.367 ( -0.262 0.680 0.000) 0.729 6.379 ( -1.216 -0.434 0.000) 1.291 6.409 ( 3.407 0.445 0.000) 3.436 6.417 ( 2.526 -0.282 0.000) 2.542 6.491 ( 8.879 -0.152 0.000) 8.880 6.509 ( 6.655 -2.031 0.000) 6.958 6.645 ( -0.273 0.990 0.000) 1.027 6.659 ( -0.529 -0.506 0.000) 0.732 6.805 ( 5.266 3.444 0.000) 6.292 6.840 ( 1.837 1.583 0.000) 2.425 6.923 ( 2.222 -1.133 0.000) 2.494 6.955 ( -1.030 -2.467 0.000) 2.673 7.070 ( 7.763 1.033 0.000) 7.832 7.090 ( 7.902 -0.812 0.000) 7.944 7.216 ( -2.893 2.567 0.000) 3.867 7.257 ( -5.426 -1.883 0.000) 5.744 7.453 ( 0.234 0.594 0.000) 0.639 7.469 ( -0.346 -0.330 0.000) 0.478 7.607 ( -5.063 1.582 0.000) 5.304 7.616 ( -4.873 0.225 0.000) 4.878 7.618 ( 1.116 -0.617 0.000) 1.275 7.650 ( -2.652 -3.117 0.000) 4.092 7.946 ( -2.243 2.128 0.000) 3.092 7.962 ( -3.767 0.494 0.000) 3.800 8.511 ( 1.695 0.879 0.000) 1.909 8.517 ( 1.491 0.246 0.000) 1.511 8.611 ( 1.313 2.525 0.000) 2.846 8.642 ( -1.259 -0.562 0.000) 1.379 8.825 ( 1.674 2.514 0.000) 3.021 8.852 ( -1.140 0.031 0.000) 1.141 8.880 ( 4.564 1.577 0.000) 4.829 8.921 ( 2.160 -2.219 0.000) 3.097 9.029 ( 1.422 -0.326 0.000) 1.458 9.033 ( 1.778 -0.780 0.000) 1.942 9.048 ( -2.288 -0.289 0.000) 2.306 9.066 ( -2.969 -1.591 0.000) 3.368 9.906 ( 0.674 0.705 0.000) 0.975 9.920 ( -0.784 -0.676 0.000) 1.035 10.156 ( 0.304 0.353 0.000) 0.466 10.162 ( -0.337 -0.233 0.000) 0.410 10.555 ( -8.514 0.522 0.000) 8.530 10.567 ( -9.482 -0.624 0.000) 9.503 10.633 ( -6.523 0.102 0.000) 6.523 10.635 ( -6.793 -0.152 0.000) 6.794 ======================= Grid point 35 (13/48) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.468 ( 0.000 0.000 24.452) 24.452 0.604 ( 0.000 0.000 29.902) 29.902 0.914 ( 0.000 0.000 46.706) 46.706 1.638 ( 0.000 0.000 10.372) 10.372 1.734 ( 0.000 0.000 6.313) 6.313 2.113 ( 0.000 0.000 -5.008) 5.008 2.152 ( 0.000 0.000 -6.323) 6.323 2.245 ( 0.000 0.000 1.477) 1.477 2.326 ( 0.000 0.000 3.449) 3.449 2.380 ( 0.000 0.000 -6.604) 6.604 2.415 ( 0.000 0.000 -4.675) 4.675 2.417 ( 0.000 0.000 0.892) 0.892 2.469 ( 0.000 0.000 -1.918) 1.918 2.625 ( 0.000 0.000 0.242) 0.242 2.680 ( 0.000 0.000 8.564) 8.564 2.697 ( 0.000 0.000 2.560) 2.560 2.879 ( 0.000 0.000 -2.482) 2.482 3.033 ( 0.000 0.000 2.314) 2.314 3.345 ( 0.000 0.000 -4.906) 4.906 3.355 ( 0.000 0.000 -4.734) 4.734 3.444 ( 0.000 0.000 6.539) 6.539 3.670 ( 0.000 0.000 4.304) 4.304 3.770 ( 0.000 0.000 -7.831) 7.831 3.859 ( 0.000 0.000 -3.346) 3.346 4.354 ( 0.000 0.000 3.354) 3.354 4.355 ( 0.000 0.000 6.290) 6.290 4.526 ( 0.000 0.000 2.640) 2.640 4.642 ( 0.000 0.000 3.875) 3.875 4.812 ( 0.000 0.000 10.172) 10.172 4.930 ( 0.000 0.000 0.722) 0.722 5.239 ( 0.000 0.000 1.822) 1.822 5.240 ( 0.000 0.000 -5.217) 5.217 5.260 ( 0.000 0.000 9.477) 9.477 5.460 ( 0.000 0.000 -2.554) 2.554 5.523 ( 0.000 0.000 14.558) 14.558 5.548 ( 0.000 0.000 -3.834) 3.834 5.796 ( 0.000 0.000 -1.264) 1.264 5.813 ( 0.000 0.000 4.683) 4.683 5.880 ( 0.000 0.000 7.579) 7.579 5.923 ( 0.000 0.000 11.126) 11.126 5.934 ( 0.000 0.000 -0.140) 0.140 6.028 ( 0.000 0.000 3.315) 3.315 6.030 ( 0.000 0.000 7.429) 7.429 6.073 ( 0.000 0.000 11.868) 11.868 6.447 ( 0.000 0.000 -6.708) 6.708 6.503 ( 0.000 0.000 -5.037) 5.037 6.557 ( 0.000 0.000 2.619) 2.619 6.619 ( 0.000 0.000 2.710) 2.710 6.821 ( 0.000 0.000 2.007) 2.007 6.833 ( 0.000 0.000 5.982) 5.982 6.920 ( 0.000 0.000 -1.242) 1.242 6.960 ( 0.000 0.000 2.197) 2.197 7.122 ( 0.000 0.000 1.334) 1.334 7.126 ( 0.000 0.000 0.338) 0.338 7.195 ( 0.000 0.000 -0.966) 0.966 7.239 ( 0.000 0.000 -0.681) 0.681 7.292 ( 0.000 0.000 2.368) 2.368 7.576 ( 0.000 0.000 -4.209) 4.209 7.715 ( 0.000 0.000 -2.232) 2.232 7.760 ( 0.000 0.000 -1.851) 1.851 7.781 ( 0.000 0.000 -3.698) 3.698 7.912 ( 0.000 0.000 -8.626) 8.626 8.061 ( 0.000 0.000 -7.956) 7.956 8.117 ( 0.000 0.000 -11.509) 11.509 8.332 ( 0.000 0.000 2.011) 2.011 8.399 ( 0.000 0.000 2.674) 2.674 8.511 ( 0.000 0.000 6.659) 6.659 8.533 ( 0.000 0.000 1.093) 1.093 8.756 ( 0.000 0.000 5.096) 5.096 8.758 ( 0.000 0.000 6.991) 6.991 8.779 ( 0.000 0.000 -1.597) 1.597 8.907 ( 0.000 0.000 0.267) 0.267 8.940 ( 0.000 0.000 3.653) 3.653 8.951 ( 0.000 0.000 -1.527) 1.527 8.974 ( 0.000 0.000 3.105) 3.105 9.175 ( 0.000 0.000 -0.939) 0.939 9.821 ( 0.000 0.000 2.092) 2.092 10.018 ( 0.000 0.000 0.200) 0.200 10.100 ( 0.000 0.000 -1.070) 1.070 10.185 ( 0.000 0.000 -1.155) 1.155 11.070 ( 0.000 0.000 -12.557) 12.557 11.078 ( 0.000 0.000 -9.877) 9.877 11.136 ( 0.000 0.000 -12.907) 12.907 11.232 ( 0.000 0.000 -10.923) 10.923 ======================= Grid point 36 (14/48) ======================= q-point: ( 0.14 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( 17.107 0.000 17.649) 24.579 0.668 ( 17.368 0.000 16.881) 24.220 1.368 ( 33.006 0.000 31.899) 45.902 1.634 ( 2.868 0.000 3.974) 4.901 1.863 ( 9.437 0.000 7.518) 12.066 2.126 ( 1.046 0.000 -4.314) 4.439 2.166 ( -1.603 0.000 -4.416) 4.698 2.218 ( 0.042 0.000 -1.879) 1.879 2.235 ( -7.212 0.000 0.208) 7.215 2.359 ( -0.699 0.000 -5.607) 5.651 2.385 ( -2.560 0.000 -5.309) 5.894 2.405 ( -4.055 0.000 -3.524) 5.373 2.439 ( -2.676 0.000 -2.491) 3.656 2.644 ( -3.214 0.000 5.353) 6.244 2.665 ( -1.550 0.000 1.583) 2.215 2.751 ( 8.300 0.000 -5.067) 9.724 2.885 ( -2.087 0.000 -3.173) 3.798 3.041 ( 2.526 0.000 4.839) 5.459 3.338 ( -0.637 0.000 -0.712) 0.955 3.357 ( 0.582 0.000 -2.813) 2.872 3.488 ( 3.732 0.000 7.851) 8.692 3.679 ( 0.952 0.000 3.339) 3.473 3.764 ( -0.865 0.000 -3.973) 4.066 3.797 ( -6.400 0.000 -1.533) 6.581 4.346 ( 1.453 0.000 3.869) 4.133 4.407 ( 5.481 0.000 2.591) 6.062 4.563 ( -2.353 0.000 -2.452) 3.398 4.675 ( 7.415 0.000 1.154) 7.504 4.861 ( -2.699 0.000 -4.883) 5.579 4.980 ( 10.783 0.000 11.594) 15.833 5.190 ( -3.324 0.000 -3.139) 4.572 5.192 ( -4.830 0.000 -5.078) 7.008 5.318 ( 5.767 0.000 7.843) 9.735 5.511 ( 0.263 0.000 -0.956) 0.991 5.539 ( 4.503 0.000 -2.144) 4.987 5.607 ( 4.810 0.000 1.761) 5.122 5.713 ( -0.491 0.000 6.431) 6.450 5.782 ( -0.044 0.000 -1.381) 1.381 5.918 ( 0.247 0.000 9.643) 9.646 5.982 ( 2.825 0.000 3.692) 4.649 6.040 ( 10.948 0.000 12.147) 16.353 6.047 ( 7.659 0.000 -0.042) 7.660 6.103 ( 4.756 0.000 8.490) 9.731 6.251 ( 11.482 0.000 -0.592) 11.497 6.414 ( -2.168 0.000 -4.033) 4.579 6.510 ( -1.092 0.000 -5.984) 6.083 6.565 ( 2.498 0.000 3.762) 4.516 6.618 ( 0.137 0.000 0.855) 0.866 6.754 ( -5.994 0.000 3.600) 6.992 6.847 ( 1.141 0.000 0.193) 1.157 6.924 ( 0.567 0.000 -0.774) 0.959 6.966 ( -6.792 0.000 2.111) 7.113 7.023 ( 0.940 0.000 6.687) 6.753 7.032 ( -6.390 0.000 0.367) 6.400 7.190 ( -0.329 0.000 0.751) 0.819 7.318 ( 3.960 0.000 -2.654) 4.767 7.390 ( 9.117 0.000 1.960) 9.325 7.526 ( -4.339 0.000 -1.777) 4.688 7.678 ( -3.455 0.000 -2.576) 4.309 7.701 ( -5.945 0.000 -3.505) 6.902 7.769 ( -1.553 0.000 -3.706) 4.018 7.864 ( -2.989 0.000 -3.424) 4.545 8.032 ( -2.730 0.000 -2.668) 3.817 8.258 ( -4.607 0.000 -2.431) 5.209 8.384 ( 4.009 0.000 -1.101) 4.157 8.392 ( 4.855 0.000 -1.482) 5.076 8.440 ( -6.362 0.000 -1.079) 6.453 8.505 ( 1.050 0.000 2.008) 2.266 8.572 ( -0.432 0.000 0.313) 0.533 8.796 ( -0.001 0.000 -0.424) 0.424 8.808 ( 0.669 0.000 3.887) 3.944 8.914 ( 2.003 0.000 1.784) 2.682 8.935 ( 3.010 0.000 1.118) 3.211 9.008 ( 2.765 0.000 2.187) 3.525 9.112 ( 4.864 0.000 5.390) 7.260 9.165 ( -1.017 0.000 -0.581) 1.171 9.830 ( 0.917 0.000 1.859) 2.073 10.009 ( -1.028 0.000 0.146) 1.038 10.103 ( 0.328 0.000 -1.183) 1.228 10.181 ( -0.457 0.000 -1.249) 1.330 10.871 ( -11.757 0.000 -12.647) 17.268 10.938 ( -14.990 0.000 -14.178) 20.633 11.149 ( -0.611 0.000 -1.560) 1.675 11.242 ( -3.454 0.000 -1.932) 3.957 ======================= Grid point 37 (15/48) ======================= q-point: ( 0.29 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 20.907 0.000 11.273) 23.753 1.117 ( 25.383 0.000 2.900) 25.549 1.754 ( 8.677 0.000 -0.787) 8.713 1.968 ( 25.215 0.000 15.592) 29.647 1.997 ( -3.346 0.000 2.892) 4.423 2.075 ( -7.017 0.000 -0.552) 7.039 2.083 ( 2.483 0.000 3.142) 4.004 2.160 ( -1.334 0.000 -0.938) 1.631 2.229 ( -2.907 0.000 -9.259) 9.705 2.302 ( -4.512 0.000 -3.453) 5.681 2.327 ( 0.626 0.000 -1.668) 1.782 2.383 ( 3.789 0.000 -5.085) 6.341 2.422 ( 1.309 0.000 -3.936) 4.148 2.571 ( -4.260 0.000 0.915) 4.357 2.675 ( 3.129 0.000 -4.853) 5.774 2.777 ( -7.601 0.000 -5.757) 9.535 2.853 ( 1.583 0.000 -13.123) 13.218 3.139 ( 6.584 0.000 7.180) 9.742 3.331 ( -0.383 0.000 7.042) 7.053 3.379 ( 1.131 0.000 1.752) 2.085 3.541 ( 0.257 0.000 9.606) 9.610 3.630 ( -9.498 0.000 5.008) 10.737 3.699 ( 0.713 0.000 0.026) 0.714 3.741 ( -0.848 0.000 4.245) 4.329 4.403 ( 3.981 0.000 2.082) 4.492 4.549 ( 8.982 0.000 0.860) 9.023 4.609 ( 7.176 0.000 -6.781) 9.873 4.672 ( -4.182 0.000 4.883) 6.429 4.958 ( 9.994 0.000 -8.946) 13.413 5.070 ( -7.612 0.000 -4.233) 8.710 5.120 ( 2.598 0.000 8.351) 8.746 5.189 ( 3.134 0.000 -12.703) 13.084 5.411 ( 2.760 0.000 6.054) 6.653 5.526 ( 1.296 0.000 -6.342) 6.473 5.547 ( -3.311 0.000 -1.506) 3.637 5.694 ( 1.837 0.000 -2.988) 3.508 5.800 ( 7.767 0.000 -3.188) 8.396 5.806 ( 3.603 0.000 -2.610) 4.449 5.931 ( 1.125 0.000 10.397) 10.458 6.098 ( 7.430 0.000 3.785) 8.339 6.164 ( 6.857 0.000 2.099) 7.171 6.215 ( 9.855 0.000 -3.661) 10.513 6.287 ( 6.548 0.000 1.131) 6.645 6.396 ( 1.494 0.000 -1.342) 2.008 6.447 ( 8.586 0.000 -5.590) 10.245 6.460 ( -3.467 0.000 -3.921) 5.234 6.607 ( -0.940 0.000 0.181) 0.957 6.622 ( -7.664 0.000 -0.053) 7.664 6.632 ( 3.115 0.000 -1.786) 3.591 6.847 ( -0.741 0.000 0.047) 0.743 6.889 ( 0.879 0.000 5.753) 5.820 6.915 ( -2.935 0.000 -3.029) 4.218 6.971 ( 2.072 0.000 1.216) 2.403 7.051 ( 0.198 0.000 3.589) 3.595 7.182 ( -0.930 0.000 2.609) 2.769 7.384 ( 3.266 0.000 -4.253) 5.363 7.452 ( -2.637 0.000 -1.024) 2.829 7.510 ( -12.308 0.000 -5.716) 13.570 7.578 ( 9.055 0.000 2.898) 9.508 7.602 ( -3.412 0.000 -3.012) 4.551 7.759 ( -0.079 0.000 -4.116) 4.117 7.775 ( -6.922 0.000 2.792) 7.464 7.966 ( -4.050 0.000 2.933) 5.001 8.031 ( -11.109 0.000 3.908) 11.777 8.399 ( 0.281 0.000 -3.172) 3.184 8.443 ( 2.885 0.000 -0.965) 3.042 8.495 ( 1.676 0.000 0.639) 1.793 8.582 ( 5.135 0.000 -4.886) 7.089 8.637 ( 5.737 0.000 -8.650) 10.380 8.774 ( -0.991 0.000 -0.042) 0.992 8.812 ( -0.357 0.000 1.477) 1.520 8.961 ( 1.377 0.000 0.089) 1.380 9.002 ( 3.559 0.000 1.298) 3.789 9.060 ( 2.363 0.000 1.485) 2.791 9.140 ( -1.325 0.000 0.888) 1.595 9.146 ( -0.559 0.000 5.724) 5.751 9.855 ( 1.722 0.000 1.200) 2.099 9.980 ( -1.946 0.000 0.187) 1.955 10.113 ( 0.711 0.000 -1.458) 1.622 10.168 ( -0.856 0.000 -1.475) 1.705 10.671 ( -10.648 0.000 -4.825) 11.691 10.692 ( -5.455 0.000 -2.553) 6.023 11.057 ( -8.474 0.000 9.754) 12.921 11.083 ( -12.589 0.000 10.011) 16.084 ======================= Grid point 38 (16/48) ======================= q-point: ( 0.43 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 19.626 0.000 7.423) 20.983 1.559 ( 20.406 0.000 1.927) 20.497 1.757 ( -14.755 0.000 3.859) 15.251 1.884 ( -13.642 0.000 2.400) 13.851 1.954 ( 8.896 0.000 -0.971) 8.949 2.105 ( -0.341 0.000 -2.944) 2.964 2.114 ( -7.024 0.000 -4.054) 8.110 2.132 ( -2.550 0.000 -1.288) 2.857 2.241 ( 8.487 0.000 -2.881) 8.963 2.302 ( 3.167 0.000 -3.735) 4.897 2.359 ( -2.027 0.000 -1.264) 2.389 2.395 ( -6.070 0.000 -3.305) 6.911 2.546 ( 3.903 0.000 -5.962) 7.126 2.645 ( 15.147 0.000 -4.363) 15.763 2.645 ( -5.910 0.000 -6.271) 8.617 2.812 ( -4.768 0.000 -14.917) 15.661 2.825 ( 15.389 0.000 -0.555) 15.399 3.195 ( -16.829 0.000 4.178) 17.340 3.266 ( 6.375 0.000 7.202) 9.618 3.363 ( -3.295 0.000 5.283) 6.226 3.498 ( 1.638 0.000 14.047) 14.142 3.554 ( -2.586 0.000 14.247) 14.480 3.712 ( 1.284 0.000 2.596) 2.896 3.735 ( -0.604 0.000 5.448) 5.482 4.488 ( 4.854 0.000 2.601) 5.508 4.583 ( -4.992 0.000 3.956) 6.370 4.731 ( 9.738 0.000 -1.137) 9.804 4.814 ( 13.187 0.000 -4.265) 13.859 4.911 ( -8.986 0.000 -2.864) 9.432 5.050 ( -9.608 0.000 2.690) 9.977 5.181 ( 12.894 0.000 -8.017) 15.183 5.284 ( 5.951 0.000 -11.200) 12.683 5.391 ( -4.592 0.000 -2.343) 5.155 5.421 ( -9.617 0.000 -4.668) 10.690 5.574 ( 3.919 0.000 -8.798) 9.632 5.658 ( -4.158 0.000 -6.558) 7.765 5.894 ( 4.176 0.000 2.100) 4.674 5.942 ( -0.667 0.000 8.009) 8.037 5.989 ( 11.071 0.000 -1.337) 11.152 6.149 ( -3.706 0.000 3.653) 5.204 6.312 ( 5.240 0.000 -6.848) 8.623 6.331 ( 3.247 0.000 -2.138) 3.888 6.385 ( -4.080 0.000 -2.527) 4.799 6.416 ( -2.288 0.000 -1.078) 2.530 6.423 ( 10.891 0.000 -10.726) 15.286 6.533 ( 0.106 0.000 -11.270) 11.270 6.539 ( 1.381 0.000 -4.515) 4.721 6.597 ( -1.731 0.000 -3.458) 3.867 6.669 ( 1.631 0.000 -4.623) 4.903 6.768 ( -7.908 0.000 -2.783) 8.383 6.947 ( 3.933 0.000 1.443) 4.190 6.972 ( 10.332 0.000 -5.824) 11.860 7.019 ( -3.265 0.000 0.449) 3.296 7.042 ( 4.261 0.000 0.763) 4.329 7.140 ( -3.381 0.000 0.680) 3.449 7.242 ( -14.135 0.000 -8.694) 16.595 7.450 ( 3.639 0.000 -3.426) 4.998 7.483 ( 4.723 0.000 3.320) 5.773 7.522 ( -3.942 0.000 -2.230) 4.530 7.616 ( -8.611 0.000 5.340) 10.132 7.751 ( 7.862 0.000 3.330) 8.538 7.784 ( 3.224 0.000 -1.882) 3.733 7.875 ( -6.091 0.000 0.489) 6.111 7.877 ( -5.475 0.000 4.833) 7.303 8.431 ( 2.668 0.000 -2.316) 3.533 8.483 ( -2.259 0.000 -0.510) 2.316 8.515 ( 4.601 0.000 -1.389) 4.807 8.600 ( -3.352 0.000 -3.268) 4.681 8.734 ( 4.054 0.000 -5.012) 6.447 8.790 ( -1.982 0.000 -1.313) 2.377 8.826 ( 6.057 0.000 -3.147) 6.826 8.934 ( -4.186 0.000 -3.876) 5.705 9.063 ( 2.832 0.000 1.719) 3.312 9.094 ( 1.443 0.000 1.316) 1.953 9.113 ( -2.438 0.000 3.008) 3.872 9.119 ( -1.133 0.000 1.181) 1.637 9.894 ( 2.238 0.000 0.663) 2.334 9.938 ( -2.345 0.000 0.347) 2.370 10.129 ( 0.981 0.000 -1.702) 1.965 10.150 ( -1.083 0.000 -1.685) 2.003 10.608 ( 4.664 0.000 11.028) 11.974 10.694 ( 5.434 0.000 11.097) 12.356 10.810 ( -14.484 0.000 16.787) 22.172 10.862 ( -10.887 0.000 15.777) 19.169 ======================= Grid point 42 (17/48) ======================= q-point: ( 0.00 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( 0.000 17.400 19.288) 25.977 0.765 ( 0.000 14.298 22.798) 26.911 1.308 ( 0.000 35.078 27.267) 44.429 1.566 ( 0.000 -7.056 10.582) 12.719 1.648 ( 0.000 -7.961 7.300) 10.801 2.150 ( 0.000 3.389 -4.219) 5.411 2.169 ( 0.000 1.578 -6.227) 6.424 2.274 ( 0.000 2.150 1.593) 2.676 2.330 ( 0.000 0.214 3.808) 3.814 2.393 ( 0.000 1.101 -6.812) 6.901 2.430 ( 0.000 1.541 -4.736) 4.980 2.440 ( 0.000 2.428 2.082) 3.198 2.525 ( 0.000 3.459 -0.586) 3.508 2.592 ( 0.000 -2.798 -0.330) 2.818 2.654 ( 0.000 -2.482 8.339) 8.700 2.715 ( 0.000 3.444 -3.143) 4.662 2.935 ( 0.000 5.444 1.614) 5.679 3.011 ( 0.000 -2.160 1.329) 2.536 3.286 ( 0.000 -14.726 4.360) 15.357 3.392 ( 0.000 3.008 -1.858) 3.536 3.410 ( 0.000 4.732 -5.018) 6.897 3.588 ( 0.000 -7.805 4.002) 8.771 3.748 ( 0.000 -2.012 -6.764) 7.057 3.833 ( 0.000 -2.712 -2.712) 3.836 4.353 ( 0.000 -0.034 3.626) 3.626 4.355 ( 0.000 0.035 5.988) 5.988 4.531 ( 0.000 0.708 3.318) 3.393 4.658 ( 0.000 1.235 4.421) 4.591 4.825 ( 0.000 0.878 9.089) 9.131 4.882 ( 0.000 -9.185 11.346) 14.598 4.998 ( 0.000 -1.058 -0.439) 1.145 5.207 ( 0.000 -3.052 1.326) 3.328 5.425 ( 0.000 3.844 -2.626) 4.656 5.455 ( 0.000 -0.361 -2.635) 2.660 5.547 ( 0.000 2.336 14.004) 14.198 5.563 ( 0.000 1.254 -3.668) 3.877 5.725 ( 0.000 -5.832 2.275) 6.260 5.779 ( 0.000 -3.188 5.504) 6.361 5.860 ( 0.000 -2.104 10.047) 10.265 5.867 ( 0.000 -4.935 9.420) 10.635 5.915 ( 0.000 -0.570 10.922) 10.937 5.942 ( 0.000 -1.173 5.385) 5.512 6.045 ( 0.000 1.567 5.716) 5.927 6.098 ( 0.000 0.908 8.253) 8.303 6.445 ( 0.000 -0.191 -5.838) 5.841 6.495 ( 0.000 -1.194 -3.546) 3.742 6.561 ( 0.000 0.473 2.582) 2.625 6.578 ( 0.000 -0.691 4.263) 4.318 6.843 ( 0.000 1.198 4.124) 4.295 6.888 ( 0.000 0.111 -1.963) 1.966 6.920 ( 0.000 -3.093 -0.265) 3.104 6.982 ( 0.000 5.691 -1.956) 6.018 7.091 ( 0.000 -3.030 1.654) 3.452 7.159 ( 0.000 1.543 5.722) 5.927 7.189 ( 0.000 0.484 -4.382) 4.409 7.251 ( 0.000 1.490 -0.901) 1.741 7.296 ( 0.000 0.381 1.982) 2.019 7.446 ( 0.000 -8.216 3.801) 9.052 7.648 ( 0.000 5.784 -5.588) 8.042 7.794 ( 0.000 1.082 -4.587) 4.713 7.912 ( 0.000 0.206 -7.362) 7.365 8.020 ( 0.000 -2.957 -7.617) 8.170 8.114 ( 0.000 9.747 -14.282) 17.291 8.157 ( 0.000 2.803 -11.493) 11.830 8.333 ( 0.000 0.031 2.026) 2.027 8.389 ( 0.000 -1.216 4.010) 4.191 8.511 ( 0.000 0.279 5.541) 5.548 8.550 ( 0.000 0.641 1.683) 1.800 8.747 ( 0.000 -0.714 5.721) 5.765 8.760 ( 0.000 -0.711 0.169) 0.731 8.829 ( 0.000 4.845 0.257) 4.852 8.920 ( 0.000 -0.132 1.300) 1.307 8.949 ( 0.000 -0.858 0.881) 1.230 8.951 ( 0.000 2.095 2.297) 3.109 9.031 ( 0.000 4.041 -3.655) 5.449 9.147 ( 0.000 -2.721 -0.657) 2.799 9.844 ( 0.000 2.169 1.967) 2.928 10.002 ( 0.000 -1.597 0.449) 1.659 10.110 ( 0.000 0.849 -0.982) 1.298 10.177 ( 0.000 -0.793 -1.094) 1.351 11.069 ( 0.000 -0.047 -12.476) 12.476 11.072 ( 0.000 -0.306 -10.386) 10.390 11.147 ( 0.000 1.105 -12.682) 12.730 11.228 ( 0.000 -0.613 -11.409) 11.425 ======================= Grid point 43 (18/48) ======================= q-point: ( 0.14 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 14.019 12.274 12.803) 22.608 0.939 ( 11.828 19.395 12.053) 25.716 1.570 ( 3.609 -6.387 4.717) 8.722 1.605 ( 25.537 23.211 25.079) 42.660 1.774 ( 8.988 -8.055 7.586) 14.255 2.105 ( -0.245 -0.729 -7.974) 8.011 2.139 ( -8.052 -1.715 -2.127) 8.503 2.266 ( 3.793 4.312 -3.896) 6.940 2.322 ( -3.951 5.185 3.437) 7.370 2.378 ( -2.046 1.532 -3.441) 4.287 2.397 ( -2.266 1.621 -4.577) 5.358 2.434 ( -0.015 2.016 -4.792) 5.199 2.476 ( -4.225 3.988 0.277) 5.816 2.619 ( -2.655 -2.291 5.486) 6.511 2.702 ( -0.109 3.027 0.676) 3.104 2.713 ( 6.491 -2.808 -4.774) 8.532 2.883 ( -3.060 -0.126 -3.177) 4.413 3.064 ( 3.805 2.231 4.449) 6.265 3.346 ( 3.935 -8.525 2.497) 9.716 3.381 ( -0.079 0.187 1.386) 1.401 3.401 ( 0.071 2.177 0.474) 2.229 3.613 ( 2.266 -6.228 4.342) 7.923 3.738 ( -1.120 -2.165 -4.262) 4.910 3.778 ( -5.675 -2.140 -1.073) 6.159 4.347 ( 1.192 0.177 3.969) 4.148 4.403 ( 4.994 -0.387 3.125) 5.904 4.554 ( -1.362 -0.851 -2.529) 2.996 4.689 ( 6.594 1.375 1.169) 6.836 4.814 ( -3.359 -5.610 1.131) 6.636 4.989 ( 1.264 -5.501 -2.265) 6.082 4.996 ( 10.426 1.174 11.306) 15.424 5.265 ( 0.007 -0.409 -3.811) 3.833 5.375 ( 0.325 3.211 2.711) 4.214 5.506 ( -0.806 -0.663 -1.475) 1.807 5.519 ( 2.723 -1.575 -1.925) 3.688 5.621 ( 4.672 1.246 1.737) 5.138 5.689 ( 0.157 -2.129 5.659) 6.048 5.752 ( 0.885 -2.083 -1.278) 2.599 5.930 ( 0.680 0.875 9.439) 9.504 5.968 ( 5.967 -1.080 6.171) 8.651 5.994 ( 8.913 -3.081 11.079) 14.549 6.065 ( 9.839 0.446 2.382) 10.133 6.106 ( 5.428 0.093 5.004) 7.383 6.168 ( 9.651 -4.063 6.683) 12.422 6.431 ( -0.749 0.818 -5.405) 5.517 6.504 ( -0.798 -0.923 -5.006) 5.152 6.563 ( 0.687 0.625 4.005) 4.111 6.615 ( 4.307 0.187 4.058) 5.920 6.754 ( -7.014 0.111 2.358) 7.400 6.844 ( -3.703 -2.117 0.083) 4.266 6.944 ( 0.217 -0.281 -0.533) 0.640 6.962 ( -2.450 0.854 1.984) 3.266 6.996 ( -4.718 1.084 -0.830) 4.911 7.117 ( -2.448 3.734 5.354) 6.972 7.181 ( -0.576 -0.357 -1.923) 2.039 7.318 ( 4.432 0.263 -1.885) 4.823 7.384 ( 7.180 -1.087 1.604) 7.437 7.489 ( 2.559 -6.218 3.357) 7.515 7.582 ( -5.747 4.090 -4.496) 8.365 7.735 ( -7.111 0.972 -6.396) 9.614 7.849 ( -3.148 0.328 -4.815) 5.762 7.936 ( -5.270 3.218 -4.366) 7.562 8.046 ( -4.169 2.078 -4.277) 6.324 8.290 ( -4.060 1.597 -5.052) 6.675 8.361 ( 4.842 -1.063 -0.860) 5.031 8.420 ( 3.296 1.622 -1.126) 3.842 8.451 ( -4.753 0.954 -0.512) 4.874 8.500 ( 0.738 -0.322 2.288) 2.425 8.656 ( -1.782 6.418 -0.712) 6.699 8.802 ( -0.615 0.865 -1.147) 1.563 8.834 ( -0.331 2.498 3.077) 3.977 8.904 ( 0.754 -0.958 1.859) 2.223 8.921 ( 3.683 -1.284 0.884) 3.999 8.993 ( 3.006 -1.050 2.072) 3.799 9.093 ( 0.819 -1.971 2.346) 3.172 9.186 ( 2.278 1.513 1.278) 3.018 9.850 ( 0.652 1.925 1.696) 2.647 9.994 ( -0.825 -1.392 0.400) 1.666 10.111 ( 0.230 0.769 -1.118) 1.376 10.175 ( -0.314 -0.645 -1.232) 1.426 10.869 ( -11.808 -0.150 -12.710) 17.350 10.940 ( -15.081 0.152 -14.172) 20.695 11.148 ( -0.716 -0.030 -1.726) 1.869 11.241 ( -3.465 -0.153 -2.014) 4.011 ======================= Grid point 44 (19/48) ======================= q-point: ( 0.29 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 22.924 7.215 3.063) 24.227 1.208 ( 16.061 14.252 7.659) 22.798 1.708 ( 9.887 -4.623 0.122) 10.916 1.923 ( 4.287 -6.683 1.866) 8.156 1.993 ( -3.536 -3.482 -1.139) 5.091 2.075 ( 13.880 8.661 8.825) 18.589 2.145 ( 1.432 1.125 -5.315) 5.618 2.199 ( -6.362 3.840 0.862) 7.481 2.241 ( -5.236 2.083 -3.404) 6.584 2.336 ( 3.064 3.513 0.034) 4.662 2.352 ( -2.504 3.166 -0.275) 4.046 2.456 ( 1.551 4.608 -3.546) 6.017 2.471 ( 3.595 4.237 -6.516) 8.564 2.556 ( -3.941 -0.759 1.104) 4.162 2.662 ( -1.553 1.283 0.392) 2.052 2.815 ( 1.496 -0.377 -8.330) 8.472 2.848 ( 1.101 1.568 -11.450) 11.609 3.147 ( 4.972 1.286 8.116) 9.605 3.337 ( -1.985 0.705 5.350) 5.750 3.399 ( -0.079 1.458 1.868) 2.371 3.470 ( 4.250 -7.856 11.772) 14.777 3.626 ( -9.477 -0.030 3.436) 10.080 3.659 ( 2.334 -4.144 3.582) 5.954 3.715 ( -0.903 -1.828 1.707) 2.659 4.400 ( 3.851 -0.148 1.982) 4.334 4.521 ( 6.119 -2.603 1.984) 6.939 4.601 ( 6.866 -0.544 -6.592) 9.534 4.687 ( -1.750 1.054 2.239) 3.031 4.904 ( 7.279 -4.866 -4.619) 9.900 5.019 ( 1.641 -2.784 -7.266) 7.953 5.129 ( 1.786 0.573 9.041) 9.234 5.208 ( -1.553 0.801 -11.377) 11.510 5.418 ( 0.790 0.411 5.058) 5.136 5.509 ( -1.383 -1.862 -4.961) 5.476 5.528 ( 0.373 -1.193 -2.567) 2.855 5.705 ( 1.210 1.006 -2.677) 3.105 5.769 ( 7.103 -1.573 -1.564) 7.441 5.806 ( 6.130 -1.244 -3.793) 7.315 5.932 ( 0.054 0.283 9.023) 9.028 6.090 ( 7.199 -1.305 4.508) 8.594 6.159 ( 7.737 0.287 0.460) 7.756 6.209 ( 8.444 -0.529 -2.812) 8.916 6.288 ( 7.866 -0.155 1.109) 7.945 6.357 ( 7.163 -3.651 -1.455) 8.170 6.413 ( -1.275 0.233 -3.835) 4.048 6.495 ( 1.838 0.373 -1.773) 2.581 6.571 ( -2.058 -0.576 -2.017) 2.939 6.622 ( -4.513 0.809 2.012) 5.007 6.695 ( 1.543 2.041 -3.256) 4.141 6.793 ( 0.864 -3.307 6.160) 7.045 6.901 ( -1.951 2.142 -1.407) 3.221 6.951 ( -0.559 0.163 -0.420) 0.718 6.974 ( 2.448 0.517 0.342) 2.526 7.083 ( -2.044 2.366 3.748) 4.881 7.170 ( -0.594 -0.946 -0.037) 1.118 7.384 ( 2.137 -0.261 -3.875) 4.433 7.430 ( -5.174 -5.244 -1.214) 7.466 7.478 ( -3.774 2.161 -2.160) 4.856 7.573 ( 3.138 -0.159 -0.966) 3.288 7.592 ( -2.135 0.577 -1.985) 2.972 7.779 ( -5.140 0.332 -0.205) 5.155 7.855 ( -2.350 2.900 -0.810) 3.819 7.943 ( -7.285 0.667 2.991) 7.903 8.082 ( -9.148 3.734 2.780) 10.264 8.414 ( 0.268 1.104 -2.730) 2.957 8.451 ( 3.785 0.922 -2.392) 4.571 8.503 ( 2.328 0.652 0.093) 2.420 8.573 ( 4.582 -0.780 -4.775) 6.664 8.672 ( 3.102 3.240 -7.927) 9.108 8.785 ( -0.480 1.127 -0.413) 1.293 8.821 ( -1.042 0.918 0.841) 1.623 8.937 ( 1.585 -2.209 0.256) 2.731 8.999 ( 3.486 -0.311 1.319) 3.740 9.048 ( 2.405 -1.036 1.834) 3.197 9.088 ( -0.608 -2.853 2.056) 3.569 9.190 ( -1.812 1.954 3.741) 4.593 9.869 ( 1.304 1.273 1.069) 2.112 9.970 ( -1.652 -0.914 0.385) 1.927 10.119 ( 0.590 0.587 -1.442) 1.665 10.165 ( -0.690 -0.349 -1.456) 1.649 10.672 ( -10.675 0.051 -4.816) 11.711 10.689 ( -5.413 -0.215 -2.543) 5.984 11.055 ( -8.499 -0.141 9.716) 12.909 11.082 ( -12.548 -0.125 10.000) 16.046 ======================= Grid point 45 (20/48) ======================= q-point: ( 0.43 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 15.855 8.348 5.001) 18.603 1.599 ( 18.425 4.131 2.502) 19.047 1.803 ( -10.003 3.956 -0.068) 10.757 1.896 ( 4.603 -2.181 0.125) 5.096 1.956 ( -9.751 3.381 2.058) 10.524 2.028 ( -0.905 -5.489 -0.121) 5.565 2.102 ( -0.981 -2.063 -2.382) 3.301 2.154 ( -3.934 0.665 -3.136) 5.075 2.262 ( 4.445 1.168 -3.203) 5.602 2.304 ( 0.378 1.390 -4.797) 5.009 2.408 ( -2.273 3.338 -1.834) 4.435 2.440 ( -5.085 2.642 -2.659) 6.317 2.534 ( 2.970 0.814 -6.746) 7.416 2.564 ( 0.873 -2.656 -7.773) 8.261 2.738 ( 9.079 5.655 -3.564) 11.275 2.838 ( -2.020 1.710 -13.958) 14.207 2.932 ( 13.230 9.106 -0.661) 16.075 3.232 ( -10.588 2.856 6.493) 12.744 3.250 ( 3.295 -1.119 8.382) 9.076 3.341 ( -4.605 -1.662 6.419) 8.073 3.494 ( -0.693 -0.860 12.484) 12.532 3.510 ( -1.287 -3.694 14.398) 14.920 3.702 ( 1.775 -2.159 3.760) 4.685 3.714 ( 0.264 -1.259 4.964) 5.128 4.481 ( 4.345 -0.632 2.161) 4.894 4.553 ( -2.623 -2.593 3.010) 4.760 4.747 ( 7.487 1.303 -0.754) 7.637 4.801 ( 12.882 -1.168 -4.552) 13.713 4.892 ( -6.543 -1.704 -1.946) 7.035 5.040 ( -9.986 -0.921 2.740) 10.396 5.153 ( 10.825 -2.755 -8.461) 14.013 5.259 ( 4.562 -2.241 -10.314) 11.499 5.370 ( -5.516 -1.672 -2.318) 6.212 5.407 ( -7.235 -0.802 -5.037) 8.852 5.580 ( 4.083 0.434 -8.264) 9.228 5.665 ( -4.192 0.507 -6.137) 7.449 5.882 ( 4.121 -1.021 2.730) 5.048 5.928 ( -0.748 -1.245 8.076) 8.205 5.990 ( 11.030 -0.114 -1.718) 11.163 6.146 ( -3.301 -0.278 3.642) 4.923 6.311 ( 7.134 -0.315 -7.895) 10.646 6.327 ( 0.151 -0.038 -2.087) 2.092 6.359 ( -1.151 -1.533 -4.698) 5.074 6.410 ( -1.765 -0.416 -2.446) 3.045 6.423 ( 9.049 -0.205 -7.929) 12.033 6.521 ( 1.191 -1.684 -7.019) 7.316 6.542 ( 0.034 0.326 -6.642) 6.650 6.596 ( -2.031 0.493 -5.046) 5.462 6.704 ( 1.289 2.394 -3.799) 4.671 6.779 ( -4.497 1.795 -1.421) 5.046 6.954 ( 4.431 -0.700 -0.941) 4.584 6.961 ( 3.600 0.150 -1.954) 4.099 7.025 ( 1.730 0.432 -1.845) 2.566 7.054 ( 1.536 0.872 -0.758) 1.922 7.144 ( -2.129 -0.125 -0.852) 2.297 7.241 ( -12.019 -0.437 -6.799) 13.816 7.413 ( 1.076 -2.682 -3.397) 4.460 7.433 ( -1.170 -2.454 -2.248) 3.528 7.558 ( 2.309 1.922 0.767) 3.101 7.648 ( -5.268 1.579 3.849) 6.713 7.699 ( 3.278 -1.108 2.782) 4.440 7.793 ( -5.931 -2.842 5.122) 8.336 7.882 ( 3.554 5.330 1.591) 6.600 7.968 ( -4.702 3.976 3.365) 7.017 8.443 ( 2.637 1.103 -2.804) 4.004 8.496 ( -2.193 1.200 -1.245) 2.793 8.531 ( 4.311 1.529 -1.644) 4.861 8.602 ( -2.136 0.108 -3.556) 4.150 8.739 ( 3.340 0.559 -6.076) 6.957 8.791 ( -2.097 0.103 -2.231) 3.064 8.828 ( 4.881 0.256 -3.127) 5.803 8.920 ( -3.623 -1.382 -3.944) 5.531 9.056 ( 2.718 -0.650 1.820) 3.335 9.080 ( 1.518 -1.211 1.628) 2.534 9.084 ( -0.295 -1.719 1.921) 2.595 9.132 ( -3.612 0.330 2.456) 4.380 9.899 ( 1.798 0.470 0.646) 1.967 9.935 ( -1.962 -0.289 0.453) 2.035 10.133 ( 0.812 0.306 -1.665) 1.878 10.150 ( -0.903 -0.020 -1.646) 1.877 10.608 ( 4.626 0.013 11.020) 11.951 10.692 ( 5.473 -0.122 11.094) 12.371 10.809 ( -14.424 -0.073 16.808) 22.149 10.860 ( -10.869 -0.113 15.750) 19.136 ======================= Grid point 49 (21/48) ======================= q-point: ( 0.00 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 0.000 15.418 16.103) 22.294 1.084 ( 0.000 16.320 14.831) 22.052 1.374 ( 0.000 -11.841 11.714) 16.656 1.413 ( 0.000 -13.658 8.901) 16.302 2.040 ( 0.000 29.567 6.637) 30.303 2.197 ( 0.000 0.539 -5.718) 5.743 2.231 ( 0.000 6.127 -0.952) 6.200 2.318 ( 0.000 3.317 2.644) 4.241 2.324 ( 0.000 -1.162 2.768) 3.002 2.415 ( 0.000 0.587 -5.949) 5.978 2.471 ( 0.000 2.113 -4.399) 4.880 2.494 ( 0.000 0.525 -2.018) 2.085 2.529 ( 0.000 1.027 2.344) 2.559 2.562 ( 0.000 0.476 3.610) 3.642 2.592 ( 0.000 -3.628 7.547) 8.374 2.841 ( 0.000 7.036 -5.775) 9.102 2.862 ( 0.000 -26.334 10.162) 28.227 2.950 ( 0.000 -4.108 -1.421) 4.347 3.103 ( 0.000 11.864 4.733) 12.774 3.360 ( 0.000 -12.132 1.927) 12.284 3.486 ( 0.000 2.725 -2.966) 4.028 3.499 ( 0.000 2.842 -5.600) 6.280 3.712 ( 0.000 -0.542 -3.486) 3.528 3.758 ( 0.000 -4.269 -2.070) 4.744 4.354 ( 0.000 0.112 4.319) 4.321 4.356 ( 0.000 -0.038 5.201) 5.201 4.564 ( 0.000 2.820 5.130) 5.854 4.638 ( 0.000 -3.990 7.385) 8.394 4.787 ( 0.000 0.996 5.802) 5.887 4.825 ( 0.000 -1.301 6.589) 6.717 5.053 ( 0.000 4.064 -1.435) 4.310 5.134 ( 0.000 -4.049 0.096) 4.050 5.452 ( 0.000 0.128 -3.011) 3.013 5.456 ( 0.000 0.120 -3.268) 3.271 5.588 ( 0.000 1.325 -1.564) 2.050 5.609 ( 0.000 3.501 13.422) 13.871 5.632 ( 0.000 -2.820 0.759) 2.920 5.699 ( 0.000 -4.576 8.179) 9.372 5.814 ( 0.000 -1.039 10.212) 10.264 5.818 ( 0.000 -1.431 11.764) 11.850 5.908 ( 0.000 -0.013 10.400) 10.400 5.919 ( 0.000 -1.070 8.592) 8.658 6.083 ( 0.000 1.879 4.062) 4.475 6.107 ( 0.000 -0.339 4.785) 4.797 6.445 ( 0.000 0.350 -4.401) 4.414 6.464 ( 0.000 -1.561 -3.661) 3.980 6.574 ( 0.000 0.689 3.382) 3.451 6.580 ( 0.000 0.210 4.475) 4.479 6.846 ( 0.000 -0.223 -1.970) 1.982 6.864 ( 0.000 -2.176 -2.770) 3.522 6.928 ( 0.000 3.829 1.388) 4.073 7.013 ( 0.000 -4.508 2.101) 4.974 7.074 ( 0.000 3.849 0.203) 3.855 7.136 ( 0.000 -2.485 2.074) 3.236 7.244 ( 0.000 3.465 0.462) 3.496 7.281 ( 0.000 0.846 -0.196) 0.869 7.303 ( 0.000 0.209 1.261) 1.278 7.332 ( 0.000 -4.029 2.539) 4.762 7.759 ( 0.000 4.671 -7.698) 9.004 7.808 ( 0.000 -0.316 -7.076) 7.083 7.920 ( 0.000 0.891 -5.109) 5.186 7.959 ( 0.000 -2.947 -5.443) 6.189 8.205 ( 0.000 1.629 -12.084) 12.193 8.206 ( 0.000 1.676 -11.457) 11.579 8.334 ( 0.000 0.264 3.343) 3.353 8.355 ( 0.000 -1.851 5.398) 5.707 8.527 ( 0.000 1.140 4.001) 4.160 8.547 ( 0.000 -0.747 3.302) 3.385 8.740 ( 0.000 -0.017 3.527) 3.527 8.745 ( 0.000 -0.579 1.248) 1.376 8.911 ( 0.000 1.141 2.803) 3.026 8.911 ( 0.000 -0.201 2.306) 2.314 8.947 ( 0.000 2.933 -2.108) 3.612 8.994 ( 0.000 0.845 -1.143) 1.422 9.068 ( 0.000 -0.006 -1.743) 1.743 9.081 ( 0.000 -2.973 0.490) 3.013 9.898 ( 0.000 3.096 1.636) 3.502 9.958 ( 0.000 -2.758 1.048) 2.951 10.131 ( 0.000 1.246 -0.867) 1.518 10.156 ( 0.000 -1.271 -0.956) 1.590 11.069 ( 0.000 -0.012 -12.121) 12.121 11.069 ( 0.000 -0.042 -11.423) 11.423 11.175 ( 0.000 1.621 -12.210) 12.317 11.207 ( 0.000 -1.456 -11.754) 11.844 ======================= Grid point 50 (22/48) ======================= q-point: ( 0.14 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 8.503 12.944 7.905) 17.389 1.277 ( 11.332 15.139 10.530) 21.644 1.398 ( 5.912 -9.878 6.652) 13.296 1.559 ( 10.294 -12.639 8.965) 18.603 2.093 ( -0.887 3.946 -7.454) 8.481 2.117 ( -8.718 -0.673 -4.318) 9.752 2.157 ( 6.263 20.120 6.946) 22.188 2.314 ( 1.114 0.291 -3.640) 3.817 2.377 ( -2.274 1.921 -1.082) 3.167 2.424 ( -2.691 0.915 -1.785) 3.356 2.477 ( -3.059 5.039 5.671) 8.180 2.499 ( 4.897 5.367 -3.552) 8.087 2.543 ( -0.550 2.773 2.957) 4.090 2.565 ( -0.145 -1.712 6.008) 6.249 2.615 ( 7.168 -5.709 -2.409) 9.475 2.798 ( -1.742 3.547 -2.898) 4.901 2.877 ( -4.010 -1.477 -2.128) 4.774 2.991 ( 8.201 -17.667 10.274) 22.022 3.163 ( 5.374 4.496 3.124) 7.672 3.413 ( 1.300 -2.771 -1.401) 3.367 3.467 ( -1.801 2.049 -0.100) 2.730 3.487 ( 1.414 -1.989 1.523) 2.877 3.698 ( -1.277 -1.083 -2.215) 2.777 3.722 ( -3.561 -2.948 -1.057) 4.742 4.355 ( 1.093 0.499 3.774) 3.961 4.393 ( 3.462 -0.562 4.311) 5.557 4.537 ( -0.334 -0.542 -2.290) 2.377 4.698 ( 3.391 -2.257 2.571) 4.817 4.731 ( 0.077 0.451 3.117) 3.150 4.951 ( -2.032 -0.347 -7.198) 7.488 5.018 ( 10.726 0.615 11.573) 15.791 5.254 ( 2.602 -0.309 -1.396) 2.969 5.407 ( 0.122 0.527 0.962) 1.103 5.486 ( -2.083 -0.906 -1.886) 2.952 5.494 ( 0.801 -0.739 -2.005) 2.282 5.631 ( 1.969 -0.873 3.977) 4.522 5.661 ( 2.606 0.232 0.547) 2.673 5.726 ( 1.138 -0.497 -1.640) 2.058 5.927 ( 5.558 -0.571 12.761) 13.931 5.939 ( 8.442 -1.957 13.520) 16.059 5.971 ( 6.810 0.917 6.326) 9.340 6.057 ( 12.733 -1.045 4.281) 13.474 6.096 ( 5.843 -0.266 3.898) 7.029 6.142 ( 2.653 0.104 5.633) 6.228 6.446 ( 1.006 0.723 -4.653) 4.815 6.480 ( -0.415 -1.115 -5.004) 5.143 6.590 ( 1.919 1.662 5.319) 5.893 6.615 ( 4.200 -0.382 5.979) 7.317 6.747 ( -7.941 -0.853 -1.428) 8.113 6.809 ( -5.515 -0.795 -2.767) 6.221 6.925 ( -0.655 -0.329 4.541) 4.600 6.967 ( -1.706 -0.690 -0.020) 1.840 7.045 ( -3.107 2.773 -2.128) 4.677 7.121 ( -2.400 -1.837 4.046) 5.050 7.216 ( -1.482 2.330 -2.131) 3.488 7.327 ( 4.749 0.362 -0.629) 4.804 7.338 ( 2.642 -2.368 1.645) 3.911 7.439 ( 7.510 -0.349 4.606) 8.817 7.652 ( -7.631 2.145 -8.333) 11.501 7.755 ( -9.045 0.884 -6.360) 11.093 7.850 ( -1.116 -0.049 -4.017) 4.169 7.942 ( -4.945 -0.688 2.239) 5.472 8.085 ( -5.929 1.132 -8.350) 10.303 8.300 ( -1.809 -0.084 -7.435) 7.652 8.347 ( 5.135 -0.354 -0.619) 5.185 8.447 ( 3.611 0.918 -0.012) 3.726 8.468 ( -2.881 0.531 -1.901) 3.493 8.494 ( -0.695 -0.193 3.262) 3.341 8.737 ( 3.387 1.533 2.409) 4.430 8.836 ( -5.091 2.065 -2.327) 5.967 8.880 ( -1.273 -1.125 1.635) 2.358 8.894 ( 3.705 0.339 3.536) 5.132 8.897 ( -1.435 1.434 -1.206) 2.360 8.978 ( 2.418 -0.567 1.355) 2.829 9.045 ( 0.213 -2.161 -0.438) 2.215 9.206 ( 4.078 0.438 2.673) 4.896 9.897 ( -0.059 2.502 1.210) 2.780 9.957 ( -0.194 -2.175 1.095) 2.443 10.131 ( 0.041 1.076 -1.113) 1.549 10.157 ( 0.017 -1.047 -1.072) 1.499 10.867 ( -11.967 -0.034 -12.899) 17.595 10.943 ( -15.222 0.092 -14.144) 20.779 11.149 ( -0.985 0.062 -2.045) 2.271 11.237 ( -3.334 -0.150 -2.009) 3.895 ======================= Grid point 51 (23/48) ======================= q-point: ( 0.29 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 18.445 8.374 0.457) 20.262 1.495 ( 11.721 13.487 5.755) 18.772 1.584 ( 12.427 -7.091 2.285) 14.489 1.742 ( 8.707 -10.851 4.393) 14.589 1.963 ( -5.911 -0.373 -6.839) 9.047 2.127 ( 2.937 -0.325 -11.706) 12.074 2.216 ( -4.140 2.658 -2.050) 5.330 2.236 ( -7.239 0.078 -2.186) 7.563 2.329 ( -6.058 5.368 3.547) 8.837 2.391 ( -1.590 0.357 -1.137) 1.987 2.427 ( 1.995 2.151 3.326) 4.435 2.481 ( -3.056 -1.772 1.023) 3.678 2.582 ( 2.138 6.881 -5.409) 9.010 2.615 ( 1.099 5.955 -4.005) 7.260 2.746 ( 6.400 -4.216 -3.898) 8.597 2.777 ( 0.747 7.292 -0.303) 7.336 2.897 ( 8.734 4.337 -1.300) 9.837 3.156 ( 6.803 -8.570 10.893) 15.440 3.266 ( 5.327 -2.152 8.065) 9.902 3.366 ( -3.705 -0.471 1.465) 4.012 3.422 ( -2.526 0.838 3.755) 4.603 3.541 ( 0.169 -5.113 8.644) 10.045 3.649 ( -2.632 1.035 1.456) 3.181 3.683 ( 0.126 -1.299 1.451) 1.952 4.403 ( 3.571 0.462 1.366) 3.851 4.466 ( 3.455 -2.287 3.230) 5.254 4.592 ( 6.425 -0.293 -7.417) 9.817 4.701 ( 1.342 0.298 -1.814) 2.276 4.827 ( 5.591 -1.975 1.744) 6.181 4.982 ( 3.906 -1.037 -10.115) 10.892 5.134 ( 0.188 0.002 10.663) 10.665 5.216 ( -2.671 0.158 -10.203) 10.548 5.418 ( -1.585 -0.332 2.768) 3.206 5.473 ( -2.646 -1.095 -0.738) 2.957 5.516 ( 3.596 -0.091 -4.986) 6.148 5.724 ( 0.019 0.619 -2.149) 2.237 5.747 ( 9.073 -0.700 -2.569) 9.455 5.773 ( 6.313 -1.229 -2.901) 7.056 5.941 ( -1.332 0.438 7.266) 7.400 6.058 ( 8.670 -1.258 4.149) 9.694 6.177 ( 5.621 1.062 0.231) 5.726 6.197 ( 8.634 -0.630 -2.879) 9.123 6.278 ( 8.919 -0.666 -0.597) 8.963 6.308 ( 9.618 -1.091 2.866) 10.095 6.425 ( -2.302 0.601 -2.587) 3.514 6.493 ( 0.927 -0.245 0.571) 1.115 6.565 ( -5.178 -0.084 -3.641) 6.331 6.655 ( -1.973 1.775 -0.368) 2.679 6.702 ( 2.240 -0.560 -1.972) 3.036 6.748 ( 4.036 -1.203 4.352) 6.056 6.928 ( 0.698 -0.210 3.434) 3.510 6.952 ( -0.381 0.138 -3.484) 3.507 6.994 ( -0.810 2.391 -0.644) 2.606 7.078 ( -1.820 -2.586 6.481) 7.211 7.183 ( -2.095 1.807 -6.277) 6.860 7.332 ( -3.570 -2.666 -0.460) 4.480 7.404 ( 1.464 0.327 -0.979) 1.791 7.514 ( -5.277 0.993 -5.019) 7.350 7.577 ( 1.455 0.446 -0.598) 1.635 7.608 ( -1.366 0.765 -1.539) 2.196 7.769 ( -5.806 -1.054 1.500) 6.088 7.858 ( -3.792 -0.194 5.354) 6.564 7.982 ( -4.506 1.291 -3.310) 5.738 8.145 ( -8.984 1.912 2.496) 9.518 8.429 ( 1.315 0.349 -1.739) 2.208 8.478 ( 4.972 1.324 -5.897) 7.826 8.513 ( 2.908 0.279 -0.049) 2.922 8.554 ( 3.313 -0.987 -3.840) 5.166 8.736 ( -0.800 2.257 -6.741) 7.154 8.820 ( 0.555 2.434 -1.120) 2.736 8.842 ( -2.257 0.934 -0.613) 2.519 8.882 ( 1.557 -3.202 0.083) 3.562 8.994 ( 3.847 -0.084 2.677) 4.688 9.029 ( 2.494 -0.675 2.540) 3.623 9.039 ( -0.527 -1.734 0.121) 1.816 9.217 ( -2.604 0.721 3.509) 4.429 9.899 ( 0.297 1.469 0.655) 1.635 9.947 ( -0.878 -1.252 0.937) 1.793 10.133 ( 0.238 0.707 -1.500) 1.675 10.155 ( -0.231 -0.570 -1.341) 1.476 10.673 ( -10.716 0.031 -4.800) 11.742 10.686 ( -5.396 -0.121 -2.552) 5.970 11.053 ( -8.535 -0.040 9.579) 12.830 11.079 ( -12.523 -0.107 10.050) 16.057 ======================= Grid point 52 (24/48) ======================= q-point: ( 0.43 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 12.529 6.530 0.127) 14.129 1.723 ( 11.036 7.559 3.003) 13.710 1.815 ( 10.683 -4.380 0.715) 11.568 1.880 ( -1.729 0.383 -4.848) 5.161 1.904 ( 7.184 -4.612 1.855) 8.736 2.021 ( -10.484 0.447 -2.354) 10.755 2.069 ( -8.405 0.182 -0.094) 8.407 2.155 ( -9.288 -0.181 3.349) 9.875 2.273 ( 4.353 0.299 -7.116) 8.348 2.334 ( -2.314 0.690 -2.885) 3.762 2.425 ( -1.384 -0.511 -1.606) 2.181 2.446 ( -1.966 -0.697 -2.623) 3.351 2.589 ( 0.101 3.297 -12.160) 12.599 2.608 ( -1.136 3.679 -9.560) 10.307 2.840 ( 4.113 3.451 -9.972) 11.325 2.854 ( 3.213 -0.101 -9.930) 10.438 3.132 ( 13.152 9.640 6.779) 17.660 3.220 ( 1.764 -0.992 13.214) 13.368 3.268 ( -3.652 -0.180 11.009) 11.600 3.337 ( -6.507 0.752 7.804) 10.189 3.406 ( 4.419 -4.978 10.888) 12.762 3.481 ( -4.203 -1.343 9.296) 10.290 3.649 ( 1.838 -1.295 5.237) 5.699 3.684 ( -0.965 -1.956 5.452) 5.872 4.472 ( 3.103 -0.060 1.278) 3.356 4.503 ( 0.129 -1.943 2.176) 2.920 4.771 ( 5.705 0.919 -1.466) 5.961 4.779 ( 11.723 -0.710 -4.792) 12.684 4.858 ( -2.500 -1.324 0.295) 2.845 5.022 ( -10.873 -0.661 3.012) 11.301 5.098 ( 8.251 -1.967 -9.540) 12.766 5.215 ( -0.015 -1.599 -8.310) 8.463 5.348 ( -3.355 -0.454 -4.321) 5.489 5.397 ( -5.059 -0.254 -3.948) 6.422 5.588 ( 4.192 0.316 -7.567) 8.656 5.673 ( -4.271 0.213 -5.877) 7.268 5.865 ( 3.511 -0.491 3.564) 5.027 5.904 ( -0.188 -0.820 8.014) 8.058 5.984 ( 10.687 -0.286 -2.164) 10.907 6.140 ( -3.166 -0.194 3.939) 5.058 6.301 ( 7.697 -0.309 -7.650) 10.857 6.325 ( -0.851 -0.356 -5.689) 5.763 6.352 ( 0.030 0.576 -3.208) 3.260 6.397 ( 3.604 -0.704 -5.143) 6.319 6.432 ( 3.368 1.284 -5.070) 6.221 6.475 ( 1.869 -2.519 -5.315) 6.171 6.551 ( -0.534 0.412 -7.580) 7.610 6.600 ( -3.960 -0.106 -6.276) 7.421 6.759 ( 3.915 2.720 -3.083) 5.677 6.818 ( -0.129 1.046 -1.229) 1.619 6.938 ( 1.642 -0.169 0.846) 1.855 6.959 ( 0.071 -0.740 0.190) 0.767 7.026 ( 3.792 0.009 -3.874) 5.420 7.070 ( 2.023 0.076 -1.032) 2.273 7.133 ( -3.058 -0.063 -6.564) 7.241 7.212 ( -8.222 -2.018 -2.922) 8.956 7.386 ( -1.540 -0.055 -3.728) 4.034 7.406 ( -4.027 -0.632 -6.348) 7.544 7.578 ( 2.811 0.244 -0.793) 2.930 7.659 ( -4.186 0.063 2.083) 4.676 7.695 ( 3.307 -0.074 7.117) 7.848 7.777 ( -4.638 0.462 8.635) 9.812 7.957 ( 2.089 1.943 3.239) 4.316 8.023 ( -4.424 1.486 4.782) 6.682 8.464 ( 2.707 0.690 -3.107) 4.178 8.518 ( -2.179 0.678 -1.400) 2.678 8.568 ( 3.631 1.853 -3.439) 5.333 8.598 ( 0.727 -0.631 -3.632) 3.758 8.752 ( 1.982 0.574 -7.820) 8.088 8.794 ( -2.260 0.170 -4.386) 4.937 8.840 ( 1.776 0.947 -3.239) 3.813 8.885 ( -1.940 -1.758 -4.022) 4.799 9.045 ( 2.465 -0.245 2.235) 3.336 9.053 ( 1.793 -1.121 2.365) 3.173 9.060 ( 0.654 -0.713 1.647) 1.910 9.133 ( -5.210 -0.069 2.957) 5.991 9.909 ( 0.794 0.494 0.553) 1.087 9.927 ( -1.062 -0.403 0.706) 1.337 10.139 ( 0.402 0.282 -1.611) 1.684 10.148 ( -0.475 -0.106 -1.583) 1.656 10.609 ( 4.562 0.008 11.007) 11.915 10.690 ( 5.537 -0.075 11.090) 12.395 10.808 ( -14.335 -0.044 16.839) 22.114 10.858 ( -10.838 -0.068 15.709) 19.085 ======================= Grid point 70 (25/48) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( 0.000 0.000 23.182) 23.182 1.118 ( 0.000 0.000 24.286) 24.286 1.732 ( 0.000 0.000 36.592) 36.592 1.875 ( 0.000 0.000 13.509) 13.509 1.888 ( 0.000 0.000 9.287) 9.287 1.968 ( 0.000 0.000 -8.692) 8.692 2.020 ( 0.000 0.000 -7.627) 7.627 2.208 ( 0.000 0.000 -7.629) 7.629 2.278 ( 0.000 0.000 -8.480) 8.480 2.283 ( 0.000 0.000 2.434) 2.434 2.412 ( 0.000 0.000 -1.092) 1.092 2.415 ( 0.000 0.000 1.622) 1.622 2.446 ( 0.000 0.000 -1.880) 1.880 2.599 ( 0.000 0.000 0.482) 0.482 2.810 ( 0.000 0.000 7.789) 7.789 2.813 ( 0.000 0.000 -4.370) 4.370 2.870 ( 0.000 0.000 9.727) 9.727 3.095 ( 0.000 0.000 4.707) 4.707 3.207 ( 0.000 0.000 -7.943) 7.943 3.227 ( 0.000 0.000 -8.658) 8.658 3.544 ( 0.000 0.000 0.309) 0.309 3.557 ( 0.000 0.000 -14.523) 14.523 3.773 ( 0.000 0.000 5.842) 5.842 3.810 ( 0.000 0.000 0.163) 0.163 4.440 ( 0.000 0.000 5.289) 5.289 4.515 ( 0.000 0.000 9.997) 9.997 4.585 ( 0.000 0.000 2.921) 2.921 4.738 ( 0.000 0.000 5.861) 5.861 4.936 ( 0.000 0.000 -0.050) 0.050 5.024 ( 0.000 0.000 10.818) 10.818 5.105 ( 0.000 0.000 -8.622) 8.622 5.220 ( 0.000 0.000 -2.730) 2.730 5.451 ( 0.000 0.000 0.413) 0.413 5.457 ( 0.000 0.000 9.240) 9.240 5.468 ( 0.000 0.000 -4.230) 4.230 5.661 ( 0.000 0.000 -0.466) 0.466 5.889 ( 0.000 0.000 3.393) 3.393 5.948 ( 0.000 0.000 14.037) 14.037 5.949 ( 0.000 0.000 1.997) 1.997 6.026 ( 0.000 0.000 5.541) 5.541 6.127 ( 0.000 0.000 6.886) 6.886 6.204 ( 0.000 0.000 14.966) 14.966 6.247 ( 0.000 0.000 13.358) 13.358 6.294 ( 0.000 0.000 3.988) 3.988 6.347 ( 0.000 0.000 0.081) 0.081 6.454 ( 0.000 0.000 6.487) 6.487 6.620 ( 0.000 0.000 3.506) 3.506 6.718 ( 0.000 0.000 8.827) 8.827 6.835 ( 0.000 0.000 -2.209) 2.209 6.929 ( 0.000 0.000 3.563) 3.563 6.955 ( 0.000 0.000 6.317) 6.317 6.976 ( 0.000 0.000 -0.182) 0.182 7.024 ( 0.000 0.000 -6.843) 6.843 7.188 ( 0.000 0.000 5.301) 5.301 7.225 ( 0.000 0.000 -0.443) 0.443 7.283 ( 0.000 0.000 6.141) 6.141 7.348 ( 0.000 0.000 3.405) 3.405 7.471 ( 0.000 0.000 -6.788) 6.788 7.631 ( 0.000 0.000 -12.219) 12.219 7.670 ( 0.000 0.000 -2.064) 2.064 7.680 ( 0.000 0.000 -6.896) 6.896 7.776 ( 0.000 0.000 -4.426) 4.426 7.910 ( 0.000 0.000 -9.349) 9.349 7.911 ( 0.000 0.000 -7.355) 7.355 8.384 ( 0.000 0.000 3.333) 3.333 8.444 ( 0.000 0.000 2.585) 2.585 8.547 ( 0.000 0.000 -0.083) 0.083 8.604 ( 0.000 0.000 2.278) 2.278 8.760 ( 0.000 0.000 -0.225) 0.225 8.853 ( 0.000 0.000 3.677) 3.677 8.887 ( 0.000 0.000 5.684) 5.684 8.919 ( 0.000 0.000 -0.846) 0.846 8.921 ( 0.000 0.000 1.275) 1.275 9.022 ( 0.000 0.000 4.639) 4.639 9.024 ( 0.000 0.000 1.762) 1.762 9.154 ( 0.000 0.000 -1.021) 1.021 9.875 ( 0.000 0.000 3.416) 3.416 10.025 ( 0.000 0.000 0.577) 0.577 10.069 ( 0.000 0.000 -2.252) 2.252 10.152 ( 0.000 0.000 -2.358) 2.358 10.771 ( 0.000 0.000 -16.933) 16.933 10.824 ( 0.000 0.000 -18.106) 18.106 10.849 ( 0.000 0.000 -12.473) 12.473 10.969 ( 0.000 0.000 -15.204) 15.204 ======================= Grid point 71 (26/48) ======================= q-point: ( 0.14 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 10.922 0.000 20.492) 23.221 1.105 ( 3.136 0.000 24.844) 25.041 1.780 ( -2.835 0.000 10.648) 11.018 1.919 ( 10.938 0.000 10.102) 14.889 1.993 ( 4.028 0.000 3.313) 5.215 2.041 ( 10.711 0.000 8.608) 13.741 2.059 ( 3.573 0.000 -2.350) 4.276 2.210 ( -0.725 0.000 -7.147) 7.184 2.233 ( -2.908 0.000 -5.127) 5.894 2.255 ( -3.515 0.000 -1.100) 3.683 2.267 ( -8.592 0.000 0.013) 8.592 2.368 ( -4.771 0.000 -0.328) 4.782 2.432 ( -3.045 0.000 2.916) 4.217 2.614 ( -0.351 0.000 -6.671) 6.680 2.693 ( -7.809 0.000 -1.015) 7.875 2.732 ( -5.674 0.000 3.001) 6.419 2.848 ( -6.490 0.000 -0.827) 6.542 3.153 ( 6.218 0.000 7.271) 9.567 3.284 ( 5.379 0.000 -4.884) 7.265 3.305 ( 8.144 0.000 -1.577) 8.295 3.577 ( 2.359 0.000 -10.868) 11.121 3.599 ( 4.111 0.000 -0.115) 4.113 3.800 ( -0.599 0.000 4.100) 4.143 3.823 ( 3.995 0.000 6.469) 7.603 4.470 ( -1.328 0.000 8.273) 8.379 4.475 ( 3.657 0.000 4.298) 5.643 4.614 ( -6.496 0.000 7.744) 10.108 4.704 ( 8.799 0.000 1.587) 8.941 4.830 ( -6.346 0.000 1.108) 6.442 5.061 ( -4.153 0.000 -8.117) 9.118 5.148 ( 6.116 0.000 4.772) 7.758 5.154 ( -9.487 0.000 -0.406) 9.496 5.420 ( 3.598 0.000 0.700) 3.665 5.450 ( -1.285 0.000 -4.578) 4.755 5.536 ( -0.023 0.000 1.890) 1.890 5.662 ( -0.240 0.000 0.706) 0.746 5.826 ( -5.937 0.000 7.729) 9.746 5.830 ( -3.386 0.000 5.538) 6.491 6.037 ( 6.073 0.000 0.054) 6.073 6.078 ( -1.913 0.000 6.377) 6.658 6.082 ( 1.507 0.000 4.884) 5.112 6.267 ( 3.081 0.000 8.638) 9.171 6.273 ( 2.973 0.000 2.015) 3.591 6.282 ( -0.824 0.000 6.424) 6.476 6.339 ( -0.685 0.000 -0.364) 0.776 6.436 ( -1.679 0.000 2.727) 3.202 6.644 ( 1.158 0.000 3.446) 3.636 6.672 ( -3.823 0.000 3.972) 5.513 6.832 ( -7.241 0.000 4.736) 8.652 6.844 ( 0.469 0.000 -2.198) 2.248 6.908 ( -3.149 0.000 -2.148) 3.812 6.986 ( -2.383 0.000 -1.356) 2.742 7.031 ( -0.418 0.000 4.910) 4.928 7.158 ( -0.697 0.000 6.533) 6.570 7.260 ( 1.747 0.000 -2.720) 3.233 7.268 ( -0.802 0.000 5.372) 5.431 7.427 ( -4.513 0.000 -8.388) 9.525 7.435 ( 8.338 0.000 2.832) 8.806 7.579 ( -7.115 0.000 -9.347) 11.747 7.626 ( -3.354 0.000 -2.487) 4.176 7.654 ( -0.595 0.000 -6.299) 6.327 7.791 ( 1.228 0.000 -4.396) 4.564 7.961 ( 3.899 0.000 -4.305) 5.808 8.014 ( 6.897 0.000 -12.966) 14.686 8.399 ( 1.341 0.000 2.282) 2.647 8.433 ( -1.013 0.000 2.414) 2.618 8.506 ( -3.311 0.000 2.931) 4.422 8.528 ( -3.818 0.000 0.885) 3.919 8.652 ( -10.083 0.000 5.991) 11.729 8.814 ( 0.666 0.000 1.134) 1.315 8.869 ( -2.339 0.000 1.344) 2.697 8.903 ( -0.151 0.000 -2.066) 2.072 8.971 ( 4.017 0.000 3.040) 5.038 9.057 ( 2.636 0.000 2.030) 3.327 9.155 ( 5.671 0.000 0.116) 5.672 9.155 ( 0.032 0.000 -0.449) 0.450 9.879 ( 0.394 0.000 3.198) 3.222 10.015 ( -0.981 0.000 0.663) 1.184 10.070 ( 0.101 0.000 -2.355) 2.357 10.145 ( -0.697 0.000 -2.488) 2.584 10.674 ( -1.317 0.000 -6.351) 6.487 10.689 ( -5.755 0.000 -10.025) 11.559 11.035 ( 10.388 0.000 -9.695) 14.209 11.123 ( 8.331 0.000 -9.983) 13.002 ======================= Grid point 72 (27/48) ======================= q-point: ( 0.29 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 16.078 0.000 15.783) 22.530 1.303 ( 16.373 0.000 15.723) 22.700 1.790 ( 3.556 0.000 4.455) 5.700 2.022 ( 1.030 0.000 -5.963) 6.052 2.022 ( -1.440 0.000 -0.409) 1.496 2.097 ( -1.875 0.000 -2.335) 2.995 2.104 ( 0.078 0.000 -1.773) 1.775 2.158 ( -4.035 0.000 3.382) 5.264 2.175 ( -5.715 0.000 1.117) 5.823 2.234 ( -5.306 0.000 -3.419) 6.312 2.241 ( 3.444 0.000 -9.284) 9.902 2.330 ( 2.634 0.000 -2.757) 3.813 2.422 ( 4.678 0.000 8.940) 10.090 2.547 ( -7.809 0.000 -3.229) 8.450 2.586 ( -1.616 0.000 -11.815) 11.925 2.665 ( -10.777 0.000 -5.574) 12.133 2.690 ( 5.623 0.000 6.225) 8.389 3.288 ( 7.052 0.000 7.981) 10.650 3.392 ( 4.851 0.000 -1.705) 5.142 3.432 ( 2.005 0.000 3.858) 4.348 3.637 ( 1.205 0.000 1.542) 1.957 3.653 ( 5.671 0.000 -3.038) 6.433 3.811 ( 1.441 0.000 11.077) 11.171 3.879 ( 1.267 0.000 8.053) 8.152 4.483 ( 2.599 0.000 6.300) 6.815 4.577 ( 6.724 0.000 2.010) 7.018 4.590 ( 4.530 0.000 5.252) 6.935 4.759 ( -2.266 0.000 3.440) 4.119 4.888 ( 10.178 0.000 -0.148) 10.179 4.961 ( -5.964 0.000 -6.850) 9.083 4.997 ( -3.960 0.000 -4.836) 6.250 5.181 ( -2.048 0.000 -1.402) 2.482 5.418 ( -2.512 0.000 -6.466) 6.936 5.433 ( -3.478 0.000 -4.519) 5.702 5.471 ( -5.905 0.000 -3.460) 6.844 5.642 ( -2.805 0.000 -2.286) 3.618 5.760 ( -0.693 0.000 -0.716) 0.997 5.782 ( -0.356 0.000 0.173) 0.396 6.090 ( -1.328 0.000 4.243) 4.446 6.111 ( 4.946 0.000 -0.938) 5.034 6.156 ( 5.590 0.000 -3.071) 6.378 6.226 ( -3.123 0.000 0.532) 3.168 6.280 ( -2.950 0.000 -5.386) 6.141 6.335 ( 0.725 0.000 2.695) 2.791 6.347 ( 3.009 0.000 -5.159) 5.972 6.416 ( 0.365 0.000 0.345) 0.503 6.592 ( -4.823 0.000 0.714) 4.875 6.604 ( -6.071 0.000 -2.211) 6.461 6.694 ( -7.006 0.000 4.840) 8.516 6.811 ( -2.600 0.000 -5.546) 6.125 6.823 ( -6.056 0.000 -5.072) 7.900 6.975 ( 2.279 0.000 -0.738) 2.395 6.997 ( -1.503 0.000 6.288) 6.465 7.127 ( -2.927 0.000 3.078) 4.248 7.238 ( -3.799 0.000 1.884) 4.241 7.292 ( -9.882 0.000 -10.554) 14.459 7.312 ( 3.799 0.000 -2.265) 4.423 7.473 ( -0.822 0.000 -1.919) 2.088 7.545 ( -2.091 0.000 -2.415) 3.194 7.642 ( 9.590 0.000 4.012) 10.395 7.654 ( 0.543 0.000 -5.802) 5.827 7.807 ( 0.556 0.000 1.557) 1.653 8.014 ( 0.902 0.000 1.382) 1.651 8.030 ( -5.027 0.000 -4.119) 6.499 8.427 ( 1.884 0.000 -0.166) 1.891 8.442 ( -2.852 0.000 6.849) 7.419 8.477 ( 6.367 0.000 -3.189) 7.121 8.514 ( 1.842 0.000 -1.916) 2.658 8.537 ( -3.426 0.000 -0.410) 3.451 8.770 ( -3.274 0.000 -0.726) 3.354 8.818 ( -3.273 0.000 -1.601) 3.644 8.895 ( -2.056 0.000 -5.782) 6.136 9.045 ( 3.625 0.000 2.896) 4.640 9.105 ( 2.008 0.000 2.126) 2.924 9.152 ( -0.418 0.000 0.127) 0.436 9.192 ( -0.784 0.000 -0.089) 0.789 9.892 ( 1.022 0.000 2.607) 2.800 9.989 ( -1.675 0.000 1.032) 1.967 10.074 ( 0.394 0.000 -2.604) 2.634 10.128 ( -1.118 0.000 -2.704) 2.926 10.698 ( 6.781 0.000 7.291) 9.957 10.761 ( 9.484 0.000 8.858) 12.977 11.171 ( 3.236 0.000 1.719) 3.664 11.207 ( -0.005 0.000 2.527) 2.527 ======================= Grid point 73 (28/48) ======================= q-point: ( 0.43 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( 15.459 0.000 11.249) 19.119 1.650 ( 18.319 0.000 7.768) 19.898 1.833 ( -4.771 0.000 2.963) 5.617 1.956 ( -12.842 0.000 5.033) 13.793 1.973 ( -0.118 0.000 3.667) 3.669 2.025 ( -3.515 0.000 -3.378) 4.875 2.026 ( 0.641 0.000 -4.916) 4.957 2.090 ( -4.189 0.000 -3.175) 5.256 2.198 ( 4.665 0.000 -2.170) 5.145 2.215 ( 4.642 0.000 -5.037) 6.850 2.298 ( -1.746 0.000 -7.167) 7.377 2.315 ( -4.102 0.000 -2.805) 4.969 2.413 ( -1.794 0.000 -6.902) 7.132 2.458 ( 2.489 0.000 -10.901) 11.182 2.496 ( -6.913 0.000 -8.811) 11.199 2.528 ( -4.000 0.000 -13.916) 14.480 2.984 ( 18.956 0.000 12.103) 22.490 3.304 ( -13.467 0.000 6.370) 14.897 3.399 ( 4.260 0.000 5.625) 7.056 3.441 ( 0.083 0.000 1.388) 1.390 3.723 ( 6.022 0.000 9.217) 11.010 3.775 ( 6.281 0.000 3.853) 7.369 3.809 ( -2.369 0.000 11.539) 11.780 3.864 ( -2.811 0.000 7.350) 7.869 4.561 ( 5.328 0.000 4.841) 7.198 4.675 ( -6.185 0.000 4.864) 7.868 4.706 ( 7.348 0.000 -1.097) 7.429 4.780 ( 13.526 0.000 0.705) 13.544 4.841 ( -6.692 0.000 -4.291) 7.950 5.048 ( -12.432 0.000 -2.684) 12.718 5.055 ( 9.691 0.000 -6.678) 11.769 5.097 ( 10.259 0.000 -5.377) 11.583 5.289 ( -10.582 0.000 -8.644) 13.664 5.313 ( -10.144 0.000 -4.397) 11.056 5.411 ( 3.609 0.000 -8.212) 8.970 5.533 ( -7.581 0.000 -6.454) 9.956 5.824 ( 6.932 0.000 -8.173) 10.717 5.889 ( 12.129 0.000 -9.835) 15.615 5.987 ( -8.827 0.000 -6.268) 10.826 6.176 ( -10.873 0.000 -3.291) 11.360 6.195 ( 0.071 0.000 -4.734) 4.734 6.218 ( 2.683 0.000 -7.299) 7.777 6.220 ( -2.420 0.000 -8.304) 8.649 6.253 ( -2.719 0.000 -15.703) 15.936 6.376 ( 3.601 0.000 5.682) 6.727 6.441 ( -0.231 0.000 3.441) 3.449 6.505 ( -1.531 0.000 1.096) 1.883 6.572 ( -5.712 0.000 3.177) 6.536 6.574 ( 4.262 0.000 -4.886) 6.483 6.684 ( -6.898 0.000 -4.049) 7.999 6.854 ( 6.807 0.000 -5.562) 8.790 7.003 ( 2.058 0.000 4.052) 4.545 7.037 ( -4.133 0.000 -3.696) 5.544 7.061 ( -3.630 0.000 2.316) 4.306 7.063 ( -3.188 0.000 -5.862) 6.672 7.157 ( -5.819 0.000 -0.654) 5.856 7.394 ( 4.600 0.000 -1.583) 4.865 7.480 ( -4.173 0.000 -1.493) 4.432 7.540 ( 6.004 0.000 0.744) 6.050 7.640 ( -3.215 0.000 -3.812) 4.987 7.830 ( 2.548 0.000 6.700) 7.168 7.835 ( 9.409 0.000 5.255) 10.777 7.911 ( -5.878 0.000 4.273) 7.267 7.976 ( -4.970 0.000 4.894) 6.975 8.425 ( 1.274 0.000 1.848) 2.244 8.475 ( -3.310 0.000 -0.502) 3.348 8.481 ( 3.549 0.000 -1.912) 4.031 8.536 ( -1.141 0.000 -2.955) 3.168 8.618 ( 7.283 0.000 -5.860) 9.348 8.738 ( -5.238 0.000 -4.335) 6.799 8.747 ( 2.061 0.000 -5.036) 5.441 8.825 ( -4.758 0.000 -7.135) 8.576 9.108 ( 2.950 0.000 2.494) 3.863 9.130 ( 0.775 0.000 2.025) 2.169 9.142 ( -0.580 0.000 1.134) 1.274 9.158 ( -2.352 0.000 1.631) 2.862 9.918 ( 1.690 0.000 1.905) 2.546 9.954 ( -1.983 0.000 1.389) 2.421 10.086 ( 0.845 0.000 -2.824) 2.948 10.105 ( -1.165 0.000 -2.866) 3.094 10.902 ( 12.805 0.000 17.363) 21.574 10.975 ( 11.459 0.000 16.100) 19.762 11.120 ( -8.842 0.000 14.058) 16.607 11.147 ( -5.660 0.000 12.468) 13.693 ======================= Grid point 77 (29/48) ======================= q-point: ( 0.00 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( 0.000 14.622 18.716) 23.750 1.201 ( 0.000 7.920 21.895) 23.284 1.791 ( 0.000 -5.015 11.395) 12.450 1.800 ( 0.000 -6.958 12.644) 14.432 1.913 ( 0.000 11.884 21.591) 24.646 2.045 ( 0.000 8.111 -1.283) 8.212 2.046 ( 0.000 2.482 -6.707) 7.151 2.237 ( 0.000 1.932 -7.771) 8.008 2.298 ( 0.000 2.493 -7.280) 7.695 2.313 ( 0.000 2.666 2.746) 3.827 2.402 ( 0.000 -1.366 1.097) 1.752 2.437 ( 0.000 -1.268 -4.231) 4.417 2.494 ( 0.000 5.473 -0.080) 5.474 2.617 ( 0.000 4.500 2.041) 4.941 2.686 ( 0.000 -4.930 0.640) 4.972 2.835 ( 0.000 -3.222 9.360) 9.899 2.974 ( 0.000 9.075 3.032) 9.568 3.062 ( 0.000 -3.350 4.507) 5.616 3.214 ( 0.000 -0.731 -7.607) 7.642 3.276 ( 0.000 4.151 -9.065) 9.970 3.461 ( 0.000 -7.902 2.779) 8.376 3.567 ( 0.000 1.204 -12.284) 12.343 3.661 ( 0.000 -9.107 3.548) 9.774 3.800 ( 0.000 -2.560 0.396) 2.591 4.446 ( 0.000 0.612 5.697) 5.730 4.507 ( 0.000 -0.772 9.395) 9.427 4.602 ( 0.000 1.819 3.380) 3.839 4.759 ( 0.000 1.965 5.947) 6.264 4.955 ( 0.000 1.524 -1.708) 2.289 5.016 ( 0.000 -1.150 9.838) 9.905 5.017 ( 0.000 -7.025 0.053) 7.025 5.191 ( 0.000 -2.743 -1.898) 3.336 5.429 ( 0.000 -1.957 3.279) 3.818 5.433 ( 0.000 -1.431 -0.462) 1.503 5.480 ( 0.000 1.090 -4.744) 4.868 5.643 ( 0.000 -2.015 -1.972) 2.819 5.877 ( 0.000 -1.016 4.537) 4.649 5.883 ( 0.000 -2.764 9.384) 9.783 6.008 ( 0.000 2.492 8.193) 8.563 6.040 ( 0.000 1.188 5.817) 5.937 6.115 ( 0.000 -0.119 10.263) 10.264 6.194 ( 0.000 -0.683 14.353) 14.369 6.228 ( 0.000 -1.699 12.865) 12.977 6.277 ( 0.000 -1.727 3.870) 4.237 6.355 ( 0.000 0.701 0.643) 0.951 6.444 ( 0.000 -1.441 5.425) 5.613 6.634 ( 0.000 1.521 4.106) 4.379 6.709 ( 0.000 0.667 8.230) 8.257 6.860 ( 0.000 0.055 -3.316) 3.317 6.914 ( 0.000 -4.292 -0.103) 4.293 6.915 ( 0.000 -0.751 6.288) 6.333 7.028 ( 0.000 5.745 5.995) 8.303 7.037 ( 0.000 -0.536 -5.838) 5.863 7.193 ( 0.000 0.313 4.616) 4.626 7.231 ( 0.000 1.454 -0.801) 1.660 7.286 ( 0.000 0.557 6.246) 6.271 7.349 ( 0.000 -0.068 3.625) 3.625 7.467 ( 0.000 -6.569 -1.963) 6.856 7.513 ( 0.000 3.287 -8.080) 8.723 7.673 ( 0.000 -0.810 -7.713) 7.755 7.759 ( 0.000 1.985 -8.079) 8.319 7.880 ( 0.000 -1.621 -6.833) 7.022 7.887 ( 0.000 7.729 -9.535) 12.274 7.943 ( 0.000 1.861 -10.242) 10.409 8.389 ( 0.000 0.643 3.648) 3.704 8.450 ( 0.000 0.388 2.866) 2.892 8.563 ( 0.000 1.192 -0.366) 1.247 8.596 ( 0.000 -0.766 2.425) 2.544 8.759 ( 0.000 0.097 0.251) 0.269 8.850 ( 0.000 -2.559 4.742) 5.389 8.875 ( 0.000 2.044 2.217) 3.016 8.930 ( 0.000 -0.066 0.555) 0.559 8.933 ( 0.000 1.084 -0.584) 1.231 9.026 ( 0.000 0.311 4.303) 4.314 9.032 ( 0.000 0.905 1.239) 1.534 9.133 ( 0.000 -2.073 -0.703) 2.189 9.893 ( 0.000 1.716 3.084) 3.529 10.014 ( 0.000 -1.083 0.865) 1.386 10.079 ( 0.000 0.990 -2.215) 2.426 10.146 ( 0.000 -0.643 -2.253) 2.343 10.773 ( 0.000 0.298 -16.701) 16.703 10.835 ( 0.000 -1.273 -12.858) 12.920 10.841 ( 0.000 1.641 -17.737) 17.813 10.958 ( 0.000 -1.138 -15.535) 15.577 ======================= Grid point 78 (30/48) ======================= q-point: ( 0.14 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 5.189 8.659 21.576) 23.821 1.216 ( 5.966 12.582 16.882) 21.884 1.731 ( -1.305 -4.885 11.636) 12.687 1.905 ( 5.107 -7.688 5.896) 10.952 1.934 ( -0.461 0.291 -5.649) 5.675 2.082 ( 5.635 5.508 7.625) 10.965 2.159 ( 1.358 5.183 7.838) 9.494 2.202 ( -1.632 1.578 0.282) 2.288 2.235 ( -0.391 1.555 -9.642) 9.774 2.286 ( -1.840 2.561 -5.149) 6.038 2.338 ( 0.039 5.816 0.072) 5.817 2.434 ( -4.841 4.790 2.459) 7.240 2.478 ( -3.017 4.211 0.149) 5.182 2.601 ( -0.607 0.089 -5.723) 5.756 2.649 ( -2.948 -1.946 -1.193) 3.728 2.775 ( -5.775 1.364 5.702) 8.229 2.855 ( -8.176 1.321 -0.108) 8.283 3.161 ( 7.404 0.812 5.688) 9.372 3.303 ( 4.616 1.683 -4.442) 6.624 3.323 ( 7.255 1.361 -2.594) 7.824 3.535 ( 6.346 -6.847 3.550) 9.988 3.578 ( 1.982 -0.111 -8.367) 8.599 3.712 ( 2.968 -6.353 2.624) 7.487 3.802 ( 0.914 -3.259 4.342) 5.505 4.466 ( -0.129 0.006 7.407) 7.408 4.485 ( 2.145 0.684 5.712) 6.139 4.597 ( -5.397 -1.352 6.898) 8.863 4.723 ( 5.974 1.535 2.161) 6.536 4.832 ( -7.587 0.142 1.577) 7.750 4.967 ( -3.727 -7.105 -1.737) 8.210 5.154 ( 3.048 0.724 2.131) 3.789 5.171 ( -2.931 0.408 -1.416) 3.281 5.406 ( 2.469 -1.208 -2.693) 3.848 5.447 ( -1.589 -0.146 -3.970) 4.279 5.512 ( 0.797 -2.096 1.228) 2.557 5.663 ( 1.109 -0.369 -0.834) 1.436 5.795 ( -5.349 -2.430 8.706) 10.503 5.815 ( -3.797 -1.180 6.388) 7.524 6.056 ( 5.304 1.460 0.325) 5.511 6.080 ( -1.211 0.298 7.147) 7.255 6.095 ( 0.738 1.288 4.610) 4.843 6.222 ( 0.369 -2.783 6.689) 7.254 6.256 ( 1.294 -1.283 6.038) 6.307 6.285 ( 3.017 -0.523 6.325) 7.027 6.347 ( -0.614 0.773 -0.532) 1.121 6.437 ( -0.736 -0.678 2.040) 2.272 6.649 ( -0.953 1.299 3.810) 4.137 6.680 ( -1.273 0.682 3.026) 3.353 6.794 ( -5.624 -1.502 0.753) 5.870 6.905 ( 0.831 -0.262 -1.042) 1.358 6.917 ( -2.164 1.830 2.728) 3.934 6.950 ( -6.150 -2.106 -1.461) 6.663 7.045 ( -0.558 1.308 5.635) 5.812 7.157 ( -2.205 -0.264 2.063) 3.031 7.247 ( 0.180 0.260 3.927) 3.940 7.286 ( 0.616 0.807 -0.386) 1.086 7.411 ( 4.048 -2.206 0.903) 4.698 7.451 ( -4.799 1.655 -8.425) 9.836 7.531 ( 5.131 -1.647 0.148) 5.391 7.601 ( -8.954 1.277 -5.963) 10.834 7.722 ( 0.890 1.102 -7.819) 7.946 7.853 ( -0.888 4.470 -4.174) 6.180 7.960 ( 2.910 0.077 -4.569) 5.418 8.028 ( 6.318 1.364 -14.008) 15.427 8.392 ( 0.598 -0.566 2.718) 2.840 8.439 ( -2.449 0.496 1.544) 2.937 8.507 ( -0.578 0.064 2.948) 3.005 8.541 ( -4.843 1.118 1.819) 5.293 8.691 ( -8.770 3.523 3.568) 10.102 8.810 ( 0.432 -0.273 0.770) 0.924 8.870 ( -2.739 -0.061 -0.349) 2.762 8.897 ( -1.336 -0.741 -1.858) 2.405 8.963 ( 4.702 -0.283 3.742) 6.016 9.040 ( 2.989 -1.423 2.083) 3.911 9.112 ( 0.743 -2.581 0.392) 2.715 9.191 ( 4.342 1.704 -1.020) 4.775 9.894 ( 0.184 1.499 2.926) 3.293 10.006 ( -0.840 -0.925 0.892) 1.535 10.079 ( -0.017 0.874 -2.307) 2.467 10.140 ( -0.603 -0.553 -2.426) 2.561 10.672 ( -1.356 -0.140 -6.222) 6.369 10.693 ( -5.886 0.276 -9.790) 11.426 11.030 ( 10.453 -0.340 -9.911) 14.409 11.120 ( 8.467 -0.283 -10.111) 13.191 ======================= Grid point 79 (31/48) ======================= q-point: ( 0.29 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 14.865 5.069 14.572) 21.425 1.415 ( 13.090 10.024 12.574) 20.735 1.764 ( 4.557 -2.600 5.598) 7.672 1.941 ( -0.760 -4.769 0.711) 4.881 1.969 ( 0.493 -3.156 -5.341) 6.223 2.024 ( 0.461 -6.742 2.088) 7.073 2.120 ( -1.915 0.817 -4.517) 4.974 2.163 ( -6.927 0.542 -2.991) 7.565 2.270 ( -3.117 6.249 -2.044) 7.277 2.298 ( -1.925 5.638 -2.966) 6.655 2.320 ( -0.174 3.459 -6.244) 7.140 2.370 ( -2.367 5.066 -2.308) 6.049 2.454 ( 1.705 2.194 4.298) 5.118 2.551 ( -7.823 0.650 -1.792) 8.052 2.595 ( -0.650 0.875 -12.385) 12.433 2.670 ( -10.230 0.560 -4.809) 11.318 2.781 ( 10.926 9.630 10.392) 17.891 3.306 ( 7.123 1.851 8.058) 10.913 3.401 ( 4.769 0.774 0.220) 4.836 3.447 ( 3.027 1.349 3.174) 4.589 3.628 ( 3.234 -1.029 1.662) 3.778 3.651 ( 5.041 -0.850 -1.243) 5.261 3.747 ( 2.386 -5.834 10.101) 11.906 3.839 ( 1.655 -3.809 8.041) 9.050 4.475 ( 2.058 -0.746 6.133) 6.512 4.572 ( 4.410 -0.875 3.983) 6.007 4.579 ( 5.817 -0.638 3.914) 7.041 4.733 ( -2.695 -2.519 2.398) 4.400 4.878 ( 6.285 -1.603 -2.367) 6.905 4.915 ( 1.626 -1.829 0.089) 2.449 5.019 ( -6.567 0.920 -7.452) 9.976 5.194 ( -2.762 1.151 -1.825) 3.505 5.380 ( -3.654 -3.000 -7.752) 9.080 5.432 ( -3.258 -0.144 -4.036) 5.189 5.465 ( -4.713 -0.729 -3.202) 5.744 5.655 ( -2.957 0.752 -3.005) 4.283 5.746 ( 0.478 -1.070 -0.484) 1.268 5.766 ( -0.064 -1.413 0.696) 1.577 6.081 ( -0.634 -0.678 3.959) 4.066 6.119 ( 3.097 0.592 -1.113) 3.344 6.160 ( 4.811 0.321 -2.161) 5.283 6.208 ( -1.713 -1.870 3.323) 4.180 6.261 ( -1.185 -0.844 -5.775) 5.955 6.320 ( 0.988 -0.977 -4.577) 4.783 6.347 ( 0.470 0.617 2.912) 3.013 6.431 ( 0.477 0.190 -3.370) 3.409 6.567 ( -8.715 -0.295 -0.025) 8.720 6.642 ( -3.365 1.408 -2.297) 4.311 6.670 ( -6.842 -1.696 2.232) 7.394 6.819 ( -4.253 0.433 -4.504) 6.210 6.856 ( -3.632 2.770 -2.311) 5.119 6.961 ( 3.497 -1.393 1.308) 3.985 7.013 ( -2.040 0.969 3.948) 4.548 7.103 ( -3.306 -2.009 1.219) 4.056 7.227 ( -2.742 -1.092 3.377) 4.485 7.294 ( -5.374 1.187 -8.972) 10.525 7.326 ( -2.990 -0.075 -4.561) 5.454 7.432 ( -2.112 -3.699 -0.574) 4.298 7.498 ( 0.725 -0.396 -3.850) 3.938 7.665 ( 7.868 2.319 4.938) 9.574 7.712 ( -1.989 1.912 -5.797) 6.420 7.867 ( 2.612 4.754 2.391) 5.928 8.002 ( -0.527 -0.532 2.321) 2.438 8.068 ( -0.696 3.018 -4.346) 5.337 8.417 ( 1.551 -0.657 0.966) 1.942 8.436 ( 0.851 -1.132 1.786) 2.280 8.477 ( 1.757 0.868 -0.802) 2.118 8.535 ( 1.776 1.225 -0.653) 2.254 8.562 ( -4.588 2.503 -1.910) 5.564 8.770 ( -2.930 0.065 -1.309) 3.210 8.812 ( -3.784 -0.464 -2.304) 4.454 8.878 ( -2.010 -1.715 -5.554) 6.150 9.041 ( 3.511 -0.218 2.873) 4.542 9.092 ( 2.125 -1.129 2.061) 3.168 9.118 ( 0.078 -2.430 0.949) 2.610 9.212 ( -1.511 1.151 -1.013) 2.152 9.902 ( 0.727 1.004 2.467) 2.761 9.984 ( -1.450 -0.573 1.190) 1.962 10.081 ( 0.253 0.639 -2.563) 2.654 10.125 ( -0.959 -0.316 -2.692) 2.875 10.699 ( 6.721 0.104 7.340) 9.953 10.760 ( 9.520 -0.081 9.037) 13.126 11.168 ( 3.306 -0.252 1.631) 3.695 11.205 ( 0.049 -0.144 2.488) 2.492 ======================= Grid point 80 (32/48) ======================= q-point: ( 0.43 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( 12.686 3.253 8.082) 15.390 1.702 ( 16.768 4.705 7.491) 18.958 1.814 ( -3.679 -1.016 1.294) 4.030 1.921 ( 3.659 -2.670 3.291) 5.599 1.984 ( -9.281 -0.088 -0.417) 9.291 2.024 ( -6.145 0.082 0.306) 6.153 2.051 ( 4.299 -0.909 -4.048) 5.975 2.110 ( 0.027 2.731 0.507) 2.778 2.172 ( 0.953 -0.600 -3.948) 4.105 2.236 ( -4.416 3.204 -3.965) 6.745 2.325 ( -2.206 0.734 -6.205) 6.626 2.351 ( -3.151 1.846 -7.393) 8.246 2.396 ( -2.892 -0.820 -5.217) 6.021 2.430 ( -2.622 -0.118 -5.905) 6.462 2.552 ( -1.315 3.361 -12.534) 13.044 2.568 ( -1.771 3.215 -13.686) 14.170 3.085 ( 17.022 9.755 11.824) 22.907 3.359 ( -10.733 5.238 6.809) 13.747 3.416 ( 4.058 1.703 7.375) 8.588 3.454 ( 0.197 1.362 3.757) 4.001 3.707 ( 4.585 -1.778 9.089) 10.334 3.744 ( 2.448 -3.149 7.483) 8.480 3.793 ( 2.335 -1.987 8.013) 8.580 3.840 ( -1.565 -2.129 7.035) 7.515 4.542 ( 4.604 -1.584 4.282) 6.484 4.625 ( -2.520 -3.465 4.081) 5.917 4.725 ( 4.819 0.690 -1.224) 5.020 4.765 ( 13.261 -1.266 0.704) 13.340 4.846 ( -6.338 0.503 -2.973) 7.019 5.012 ( 8.529 -3.636 -6.500) 11.324 5.040 ( -12.725 -0.919 -2.944) 13.093 5.094 ( 8.407 -0.555 -4.682) 9.639 5.255 ( -9.165 -2.713 -9.289) 13.328 5.314 ( -8.886 0.341 -3.108) 9.420 5.423 ( 3.392 0.781 -8.109) 8.824 5.544 ( -7.544 0.772 -6.507) 9.993 5.821 ( 7.251 -0.172 -8.414) 11.109 5.880 ( 12.236 -0.930 -10.596) 16.213 5.988 ( -8.576 0.016 -5.373) 10.120 6.174 ( -11.056 -0.184 -5.456) 12.330 6.187 ( 1.191 -1.006 -3.418) 3.757 6.192 ( 0.598 -0.754 -6.890) 6.957 6.229 ( -0.165 -0.032 -8.801) 8.802 6.243 ( -5.898 -1.089 -11.744) 13.187 6.369 ( 2.579 -0.958 0.865) 2.884 6.396 ( -0.551 -2.763 2.105) 3.517 6.469 ( 1.133 -2.047 -1.616) 2.843 6.538 ( -5.726 -2.069 -0.849) 6.147 6.649 ( 3.066 4.495 -0.430) 5.458 6.735 ( -5.302 4.212 -1.727) 6.988 6.875 ( 6.396 1.725 -4.320) 7.909 7.000 ( 1.146 -0.253 3.253) 3.458 7.025 ( -2.064 -1.167 -1.773) 2.961 7.036 ( -1.912 -1.887 1.057) 2.887 7.099 ( -6.435 2.352 -6.295) 9.304 7.150 ( -4.996 -0.602 -0.133) 5.034 7.363 ( 2.766 -3.076 -1.235) 4.317 7.406 ( -1.511 -4.076 -0.073) 4.348 7.555 ( 4.553 -0.299 -2.095) 5.021 7.646 ( -4.425 0.122 -3.898) 5.898 7.805 ( 6.287 1.641 7.914) 10.240 7.911 ( -3.933 1.196 6.614) 7.787 7.962 ( 3.577 7.010 6.248) 10.049 8.044 ( -3.019 5.055 3.971) 7.101 8.424 ( 1.487 -0.128 1.230) 1.934 8.472 ( -1.275 0.184 -1.102) 1.695 8.495 ( 1.192 0.832 -2.072) 2.532 8.533 ( -0.431 -0.212 -3.223) 3.258 8.606 ( 6.075 -0.923 -6.576) 9.000 8.721 ( -5.369 -1.566 -5.014) 7.511 8.749 ( 1.226 0.164 -5.150) 5.297 8.813 ( -4.251 -1.153 -6.966) 8.241 9.100 ( 2.419 -0.633 2.435) 3.490 9.117 ( 0.066 -1.535 1.678) 2.275 9.121 ( 1.047 -1.016 1.969) 2.451 9.166 ( -2.852 0.217 1.026) 3.039 9.923 ( 1.386 0.441 1.894) 2.388 9.953 ( -1.701 -0.098 1.480) 2.257 10.090 ( 0.675 0.353 -2.804) 2.905 10.106 ( -0.975 0.013 -2.859) 3.021 10.902 ( 12.754 0.016 17.371) 21.551 10.974 ( 11.428 -0.071 16.165) 19.797 11.119 ( -8.786 -0.058 14.051) 16.572 11.145 ( -5.596 -0.141 12.452) 13.653 ======================= Grid point 84 (33/48) ======================= q-point: ( 0.00 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( 0.000 13.152 15.740) 20.511 1.399 ( 0.000 11.314 17.127) 20.527 1.624 ( 0.000 -10.429 12.411) 16.211 1.624 ( 0.000 -10.520 13.327) 16.979 2.079 ( 0.000 3.971 -4.294) 5.849 2.096 ( 0.000 1.753 -4.982) 5.281 2.263 ( 0.000 6.088 1.026) 6.174 2.271 ( 0.000 1.933 -9.419) 9.615 2.362 ( 0.000 -2.632 -3.192) 4.137 2.363 ( 0.000 -2.323 0.319) 2.344 2.371 ( 0.000 4.139 -4.396) 6.038 2.411 ( 0.000 2.488 1.599) 2.957 2.638 ( 0.000 14.226 8.075) 16.358 2.659 ( 0.000 3.964 6.557) 7.662 2.753 ( 0.000 -4.935 8.567) 9.887 2.794 ( 0.000 10.504 1.284) 10.582 2.959 ( 0.000 -7.654 3.522) 8.425 3.045 ( 0.000 -17.717 5.879) 18.667 3.171 ( 0.000 10.742 2.777) 11.096 3.332 ( 0.000 -4.170 -3.027) 5.153 3.353 ( 0.000 3.244 -9.270) 9.822 3.460 ( 0.000 -9.720 0.059) 9.720 3.617 ( 0.000 4.079 -6.669) 7.818 3.716 ( 0.000 -5.364 -2.247) 5.815 4.463 ( 0.000 1.131 6.710) 6.805 4.487 ( 0.000 -1.182 8.059) 8.146 4.664 ( 0.000 4.577 4.214) 6.221 4.766 ( 0.000 -3.897 4.768) 6.158 4.903 ( 0.000 0.485 4.890) 4.914 4.967 ( 0.000 -3.738 7.702) 8.561 5.030 ( 0.000 4.292 0.343) 4.305 5.119 ( 0.000 -4.373 -0.666) 4.423 5.402 ( 0.000 -0.599 -1.857) 1.951 5.407 ( 0.000 -0.971 -2.065) 2.282 5.516 ( 0.000 2.734 -4.816) 5.538 5.583 ( 0.000 -3.707 -3.906) 5.385 5.852 ( 0.000 -0.476 9.074) 9.087 5.857 ( 0.000 -0.847 6.845) 6.897 6.044 ( 0.000 1.238 9.842) 9.920 6.057 ( 0.000 0.118 8.363) 8.364 6.139 ( 0.000 2.198 12.358) 12.552 6.186 ( 0.000 -2.125 15.265) 15.412 6.195 ( 0.000 0.780 7.825) 7.864 6.233 ( 0.000 -2.435 5.564) 6.073 6.373 ( 0.000 1.145 1.431) 1.833 6.405 ( 0.000 -2.071 3.232) 3.839 6.686 ( 0.000 3.756 6.205) 7.254 6.740 ( 0.000 0.999 10.423) 10.471 6.804 ( 0.000 -3.172 -2.195) 3.858 6.832 ( 0.000 -3.724 0.457) 3.752 6.941 ( 0.000 2.689 1.106) 2.908 6.999 ( 0.000 -2.841 -2.947) 4.094 7.127 ( 0.000 3.978 5.312) 6.637 7.182 ( 0.000 -1.610 4.132) 4.435 7.280 ( 0.000 2.703 0.458) 2.741 7.306 ( 0.000 0.730 4.265) 4.327 7.343 ( 0.000 -0.062 3.275) 3.275 7.376 ( 0.000 -3.053 1.707) 3.498 7.586 ( 0.000 3.556 -9.823) 10.446 7.644 ( 0.000 -2.218 -9.325) 9.586 7.800 ( 0.000 2.280 -6.893) 7.261 7.844 ( 0.000 -2.078 -6.436) 6.763 7.979 ( 0.000 1.416 -11.316) 11.405 7.980 ( 0.000 1.805 -11.601) 11.741 8.413 ( 0.000 1.753 4.401) 4.738 8.446 ( 0.000 -1.079 4.023) 4.165 8.578 ( 0.000 0.263 0.174) 0.315 8.582 ( 0.000 -0.397 1.633) 1.680 8.770 ( 0.000 1.151 1.464) 1.863 8.803 ( 0.000 -2.085 3.153) 3.780 8.913 ( 0.000 0.969 -1.630) 1.896 8.922 ( 0.000 -0.445 -0.730) 0.854 8.963 ( 0.000 2.622 2.523) 3.639 9.017 ( 0.000 -1.798 2.594) 3.156 9.058 ( 0.000 1.417 0.228) 1.435 9.087 ( 0.000 -1.974 0.195) 1.983 9.936 ( 0.000 2.484 2.328) 3.404 9.983 ( 0.000 -2.061 1.536) 2.570 10.103 ( 0.000 1.317 -2.080) 2.462 10.128 ( 0.000 -1.135 -2.075) 2.365 10.785 ( 0.000 0.899 -15.730) 15.756 10.808 ( 0.000 -1.355 -14.178) 14.243 10.881 ( 0.000 2.290 -17.017) 17.171 10.926 ( 0.000 -2.065 -16.229) 16.360 ======================= Grid point 85 (34/48) ======================= q-point: ( 0.14 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 0.809 8.654 18.632) 20.560 1.483 ( 6.094 12.555 11.247) 17.924 1.602 ( 1.967 -6.997 13.772) 15.572 1.724 ( 5.588 -10.352 7.970) 14.210 1.948 ( -5.367 0.839 -6.012) 8.103 2.112 ( -9.739 -0.788 2.792) 10.162 2.180 ( -3.211 0.284 -5.417) 6.304 2.269 ( -2.378 0.785 -6.089) 6.584 2.315 ( 2.555 3.673 -5.945) 7.441 2.360 ( 1.382 4.906 -2.920) 5.874 2.426 ( 1.050 0.610 -1.217) 1.719 2.479 ( 2.034 -2.829 -6.563) 7.431 2.592 ( -6.066 6.615 3.940) 9.802 2.660 ( -2.914 5.426 2.721) 6.733 2.683 ( -3.435 4.012 5.808) 7.850 2.788 ( 1.917 2.556 3.944) 5.076 2.901 ( -3.555 3.602 6.649) 8.356 3.170 ( 10.205 -3.614 4.870) 11.871 3.259 ( 8.277 -7.631 7.822) 13.708 3.340 ( 2.579 0.915 -4.417) 5.196 3.409 ( 4.490 -0.796 -3.097) 5.512 3.554 ( 7.252 -2.728 1.058) 7.820 3.642 ( 2.678 0.993 -3.450) 4.479 3.712 ( -0.346 -5.013 0.378) 5.039 4.470 ( -0.302 0.244 7.759) 7.769 4.498 ( 1.993 0.469 6.368) 6.689 4.574 ( -6.185 -0.727 6.328) 8.878 4.747 ( -0.198 0.416 2.467) 2.510 4.830 ( -4.600 -0.687 5.186) 6.966 4.861 ( -2.977 -2.086 -1.482) 3.926 5.164 ( -3.168 0.111 -3.371) 4.627 5.172 ( 7.413 -0.015 2.325) 7.769 5.381 ( 0.074 -0.966 -6.527) 6.599 5.453 ( -1.403 0.691 -2.459) 2.914 5.474 ( 1.330 -1.309 0.124) 1.870 5.639 ( 2.819 -1.472 -3.186) 4.501 5.761 ( -5.100 -0.728 9.978) 11.229 5.796 ( -4.230 -0.533 7.422) 8.560 6.078 ( 4.564 0.663 0.852) 4.690 6.088 ( -1.023 0.326 8.026) 8.098 6.128 ( -0.694 1.818 3.995) 4.444 6.177 ( -0.498 -1.835 8.854) 9.056 6.229 ( 0.842 -1.017 2.608) 2.923 6.274 ( 5.326 -0.435 10.348) 11.647 6.370 ( -0.461 1.421 -0.599) 1.610 6.409 ( 0.473 -1.734 0.768) 1.954 6.685 ( -5.190 0.816 0.560) 5.284 6.712 ( 1.217 3.854 5.026) 6.450 6.773 ( -5.115 -0.623 0.149) 5.155 6.816 ( 1.523 -5.873 5.729) 8.345 6.925 ( -3.663 -0.180 -1.475) 3.953 6.965 ( -2.271 0.802 -2.442) 3.430 7.068 ( -3.584 0.882 6.103) 7.132 7.149 ( -2.943 -0.434 -0.086) 2.976 7.256 ( -2.746 0.058 5.099) 5.792 7.316 ( 1.478 2.152 -1.332) 2.931 7.370 ( 2.686 -1.776 1.839) 3.708 7.477 ( -5.923 0.717 -9.336) 11.079 7.534 ( 9.247 0.712 3.718) 9.992 7.625 ( -9.870 0.765 -6.105) 11.631 7.728 ( 3.610 -0.077 -7.770) 8.568 7.906 ( -0.658 1.046 -5.232) 5.376 7.965 ( 2.009 0.268 -4.060) 4.538 8.055 ( 4.540 0.926 -13.669) 14.433 8.382 ( -0.495 -0.271 3.597) 3.641 8.447 ( -4.689 0.262 0.393) 4.712 8.507 ( 2.892 -0.045 3.324) 4.406 8.561 ( -5.274 0.616 2.764) 5.986 8.761 ( -2.939 2.523 0.348) 3.889 8.810 ( -3.702 0.526 -0.230) 3.746 8.858 ( -3.173 -1.370 -2.244) 4.121 8.877 ( -1.699 -0.589 -1.481) 2.330 8.979 ( 3.464 1.708 3.989) 5.552 9.014 ( 3.080 -0.929 2.046) 3.813 9.056 ( 0.693 -2.720 0.947) 2.963 9.216 ( 4.454 0.667 -1.687) 4.810 9.931 ( -0.440 1.894 2.357) 3.056 9.980 ( -0.343 -1.510 1.378) 2.073 10.100 ( -0.280 1.121 -2.163) 2.452 10.125 ( -0.358 -0.944 -2.357) 2.564 10.670 ( -1.342 -0.064 -5.851) 6.003 10.697 ( -6.182 0.153 -9.624) 11.439 11.025 ( 10.462 -0.158 -10.320) 14.696 11.114 ( 8.737 -0.194 -10.299) 13.507 ======================= Grid point 86 (35/48) ======================= q-point: ( 0.29 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( 11.927 5.284 11.816) 17.601 1.627 ( 8.517 9.870 7.623) 15.102 1.695 ( 7.476 -3.024 9.084) 12.148 1.826 ( 5.274 -8.146 4.482) 10.690 1.917 ( -6.775 -2.438 2.238) 7.540 1.931 ( 2.817 -0.856 -7.145) 7.728 2.129 ( -2.875 0.194 -5.709) 6.395 2.170 ( -6.897 0.162 -3.930) 7.940 2.319 ( -1.313 0.558 -4.366) 4.593 2.386 ( -2.611 2.636 -2.801) 4.649 2.415 ( -3.368 3.691 -5.498) 7.429 2.452 ( -4.014 2.111 -4.750) 6.567 2.474 ( -3.692 0.147 -3.187) 4.879 2.573 ( -7.708 0.583 0.021) 7.730 2.618 ( -0.237 1.411 -8.995) 9.108 2.681 ( -8.848 0.328 -4.685) 10.018 3.060 ( 14.558 16.734 13.728) 26.085 3.343 ( 7.464 -0.515 7.957) 10.922 3.414 ( 4.439 0.237 3.468) 5.638 3.454 ( 9.912 -5.079 7.733) 13.560 3.510 ( 5.470 -4.623 6.324) 9.554 3.646 ( 2.508 1.094 1.084) 2.944 3.687 ( 0.219 -0.690 2.772) 2.865 3.749 ( 5.076 -4.264 5.268) 8.468 4.460 ( 1.092 -0.520 5.659) 5.787 4.550 ( 2.498 -0.817 5.517) 6.111 4.569 ( 5.149 -0.425 4.201) 6.659 4.685 ( -1.569 -1.551 1.098) 2.464 4.840 ( 2.175 -1.228 -4.726) 5.345 4.907 ( 6.077 0.093 5.382) 8.118 5.030 ( -6.846 0.226 -8.378) 10.822 5.218 ( -4.364 1.012 -2.097) 4.946 5.324 ( -3.938 -2.112 -8.737) 9.814 5.436 ( -3.282 0.474 -3.775) 5.024 5.448 ( -3.495 -0.775 -3.599) 5.076 5.654 ( -2.117 -0.672 -4.475) 4.996 5.732 ( 1.890 -0.142 0.029) 1.895 5.742 ( -0.206 -0.772 1.648) 1.832 6.070 ( -1.361 -0.315 3.234) 3.523 6.130 ( 1.644 0.445 -0.938) 1.945 6.164 ( 3.161 -0.100 2.137) 3.817 6.175 ( 0.260 -0.936 0.866) 1.301 6.256 ( 2.206 0.007 -1.710) 2.791 6.308 ( -2.122 -0.287 -7.381) 7.685 6.361 ( -0.016 0.537 2.402) 2.461 6.426 ( 0.919 -0.237 -5.197) 5.283 6.568 ( -12.472 0.010 -0.488) 12.482 6.644 ( -7.881 -0.659 -1.713) 8.092 6.656 ( -1.931 0.119 -2.358) 3.051 6.835 ( 0.314 1.227 2.317) 2.641 6.886 ( -0.281 -0.859 -1.966) 2.164 6.936 ( 0.980 0.002 -2.121) 2.337 7.023 ( -1.621 0.141 4.982) 5.241 7.070 ( -4.714 -0.959 -2.925) 5.630 7.209 ( -2.835 -0.638 5.170) 5.930 7.303 ( -2.099 -0.554 -2.438) 3.265 7.332 ( -9.389 1.243 -9.769) 13.606 7.389 ( -0.988 -1.048 -1.248) 1.906 7.502 ( -1.070 0.333 -4.552) 4.688 7.709 ( 8.268 1.601 6.597) 10.698 7.729 ( -3.189 0.240 -5.132) 6.046 7.935 ( 2.836 1.704 3.254) 4.641 7.994 ( 2.162 -0.311 3.793) 4.377 8.128 ( 2.706 2.212 -4.349) 5.579 8.399 ( -0.032 -0.867 -0.294) 0.916 8.422 ( 3.393 -0.188 -0.815) 3.495 8.496 ( -0.819 0.664 1.504) 1.837 8.550 ( 1.201 0.344 0.270) 1.278 8.618 ( -6.618 2.338 -4.028) 8.092 8.772 ( -3.579 0.094 -3.293) 4.864 8.807 ( -3.661 0.295 -3.372) 4.986 8.834 ( -1.671 -2.291 -4.521) 5.337 9.044 ( 2.694 0.650 2.527) 3.750 9.069 ( 2.300 -1.192 2.304) 3.467 9.075 ( 1.143 -1.475 1.524) 2.409 9.227 ( -2.300 0.370 -1.820) 2.956 9.925 ( -0.019 1.062 2.169) 2.415 9.969 ( -0.855 -0.790 1.518) 1.913 10.096 ( -0.097 0.754 -2.438) 2.554 10.115 ( -0.567 -0.564 -2.735) 2.850 10.701 ( 6.620 0.066 7.421) 9.944 10.758 ( 9.581 -0.052 9.322) 13.368 11.164 ( 3.394 -0.143 1.463) 3.699 11.203 ( 0.142 -0.093 2.435) 2.441 ======================= Grid point 87 (36/48) ======================= q-point: ( 0.43 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( 9.989 4.338 4.212) 11.677 1.783 ( 9.014 0.431 2.055) 9.255 1.805 ( -1.819 0.769 1.003) 2.215 1.878 ( 8.731 -0.324 4.815) 9.976 1.970 ( 1.375 -2.513 3.334) 4.396 1.974 ( 0.225 -1.869 -0.780) 2.038 2.061 ( -3.147 0.977 -1.162) 3.494 2.114 ( 6.358 -0.488 -6.924) 9.413 2.225 ( -9.900 2.966 2.256) 10.578 2.275 ( -7.023 -0.592 -2.247) 7.398 2.334 ( -5.023 1.094 -10.494) 11.685 2.366 ( -5.304 0.554 -6.064) 8.076 2.393 ( -0.253 0.078 -5.954) 5.960 2.450 ( -4.663 0.874 -5.894) 7.566 2.605 ( 0.582 1.589 -13.253) 13.361 2.621 ( -0.316 1.684 -13.834) 13.940 3.324 ( 11.735 12.413 11.276) 20.468 3.443 ( 1.889 1.410 9.450) 9.739 3.476 ( 1.384 2.480 9.515) 9.929 3.508 ( -2.292 5.726 8.426) 10.442 3.619 ( 3.910 -7.805 10.833) 13.913 3.660 ( -0.728 -5.053 8.438) 9.862 3.743 ( 5.270 -1.418 4.917) 7.346 3.804 ( -0.165 -1.257 5.775) 5.912 4.514 ( 3.553 -0.884 3.472) 5.046 4.566 ( -1.353 -1.921 4.296) 4.897 4.730 ( 6.151 0.088 -2.056) 6.486 4.741 ( 12.125 -0.928 0.436) 12.168 4.857 ( -6.546 0.538 -1.637) 6.769 4.943 ( 8.360 -2.482 -6.211) 10.706 5.024 ( -14.474 -0.508 -2.593) 14.713 5.073 ( 3.180 -1.065 -4.674) 5.752 5.217 ( -4.325 -0.842 -8.366) 9.456 5.321 ( -8.247 0.242 -2.668) 8.671 5.436 ( 3.908 0.418 -8.270) 9.156 5.554 ( -7.073 0.249 -6.477) 9.594 5.821 ( 7.590 0.204 -8.711) 11.556 5.857 ( 12.487 -0.998 -11.605) 17.076 5.987 ( -7.891 -0.076 -3.371) 8.582 6.170 ( -5.751 -0.105 -8.404) 10.184 6.173 ( -0.359 -0.325 -5.141) 5.164 6.187 ( -3.201 -0.004 -1.082) 3.379 6.212 ( -6.868 -1.107 -10.773) 12.823 6.231 ( -3.792 -0.100 -11.050) 11.683 6.341 ( 2.679 -1.088 -1.969) 3.498 6.366 ( -0.081 -0.651 0.947) 1.152 6.442 ( 0.935 -0.618 -3.135) 3.329 6.505 ( -5.815 -0.969 -2.369) 6.353 6.720 ( 5.706 2.193 -0.400) 6.126 6.813 ( -3.531 2.839 -0.020) 4.531 6.912 ( 4.860 1.864 -2.868) 5.943 6.980 ( 1.082 -2.553 -0.375) 2.798 6.994 ( -1.229 -0.782 -0.601) 1.575 7.007 ( -1.666 -0.623 2.136) 2.780 7.134 ( -6.729 0.722 -3.349) 7.551 7.139 ( -5.173 -0.212 -0.541) 5.205 7.306 ( 1.869 -1.599 -1.422) 2.841 7.354 ( -2.559 -1.353 0.028) 2.895 7.544 ( 4.312 -0.400 -3.281) 5.433 7.640 ( -5.331 -0.351 -3.642) 6.466 7.853 ( 6.442 1.946 8.703) 11.001 7.939 ( -2.268 1.057 8.457) 8.820 8.068 ( 4.249 2.906 7.255) 8.895 8.134 ( -2.211 3.178 5.968) 7.113 8.419 ( 2.724 -0.355 -0.913) 2.894 8.482 ( -1.631 0.617 -1.704) 2.438 8.501 ( 2.565 -0.198 -3.026) 3.972 8.536 ( -1.774 0.424 -3.589) 4.025 8.592 ( 3.912 -0.369 -7.399) 8.377 8.687 ( -5.331 -1.372 -6.457) 8.485 8.756 ( -0.670 0.527 -5.768) 5.831 8.786 ( -3.018 -1.365 -6.454) 7.255 9.089 ( 1.070 -0.337 2.283) 2.543 9.091 ( 0.465 -0.774 1.742) 1.962 9.103 ( 2.559 -0.629 2.153) 3.403 9.166 ( -3.584 -0.092 0.652) 3.644 9.932 ( 0.698 0.386 1.849) 2.013 9.950 ( -1.061 -0.188 1.661) 1.979 10.097 ( 0.246 0.340 -2.747) 2.779 10.105 ( -0.514 -0.119 -2.876) 2.924 10.902 ( 12.671 0.010 17.385) 21.513 10.973 ( 11.379 -0.044 16.271) 19.855 11.118 ( -8.697 -0.036 14.038) 16.514 11.143 ( -5.495 -0.085 12.425) 13.586 ======================= Grid point 105 (37/48) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( 0.000 0.000 20.478) 20.478 1.528 ( 0.000 0.000 18.975) 18.975 1.689 ( 0.000 0.000 -16.187) 16.187 1.832 ( 0.000 0.000 -12.770) 12.770 2.069 ( 0.000 0.000 9.387) 9.387 2.093 ( 0.000 0.000 3.246) 3.246 2.106 ( 0.000 0.000 -2.684) 2.684 2.183 ( 0.000 0.000 5.334) 5.334 2.198 ( 0.000 0.000 0.305) 0.305 2.331 ( 0.000 0.000 2.441) 2.441 2.360 ( 0.000 0.000 -7.524) 7.524 2.370 ( 0.000 0.000 -1.850) 1.850 2.547 ( 0.000 0.000 15.954) 15.954 2.687 ( 0.000 0.000 10.950) 10.950 2.718 ( 0.000 0.000 -5.689) 5.689 2.982 ( 0.000 0.000 10.532) 10.532 3.004 ( 0.000 0.000 4.499) 4.499 3.015 ( 0.000 0.000 -14.971) 14.971 3.082 ( 0.000 0.000 -4.866) 4.866 3.238 ( 0.000 0.000 10.150) 10.150 3.240 ( 0.000 0.000 -17.105) 17.105 3.436 ( 0.000 0.000 -9.548) 9.548 3.857 ( 0.000 0.000 2.547) 2.547 3.860 ( 0.000 0.000 2.540) 2.540 4.540 ( 0.000 0.000 4.885) 4.885 4.605 ( 0.000 0.000 -1.382) 1.382 4.715 ( 0.000 0.000 10.599) 10.599 4.840 ( 0.000 0.000 3.286) 3.286 4.922 ( 0.000 0.000 -1.630) 1.630 4.931 ( 0.000 0.000 -8.438) 8.438 5.180 ( 0.000 0.000 4.290) 4.290 5.194 ( 0.000 0.000 0.393) 0.393 5.410 ( 0.000 0.000 -0.866) 0.866 5.437 ( 0.000 0.000 -2.022) 2.022 5.579 ( 0.000 0.000 3.943) 3.943 5.631 ( 0.000 0.000 -2.063) 2.063 5.952 ( 0.000 0.000 3.450) 3.450 6.015 ( 0.000 0.000 4.720) 4.720 6.024 ( 0.000 0.000 -3.776) 3.776 6.092 ( 0.000 0.000 -0.898) 0.898 6.250 ( 0.000 0.000 4.643) 4.643 6.278 ( 0.000 0.000 0.391) 0.391 6.378 ( 0.000 0.000 7.338) 7.338 6.429 ( 0.000 0.000 3.791) 3.791 6.522 ( 0.000 0.000 9.686) 9.686 6.636 ( 0.000 0.000 7.629) 7.629 6.640 ( 0.000 0.000 -2.933) 2.933 6.758 ( 0.000 0.000 -5.411) 5.411 6.952 ( 0.000 0.000 0.217) 0.217 6.971 ( 0.000 0.000 -0.454) 0.454 6.980 ( 0.000 0.000 13.018) 13.018 7.011 ( 0.000 0.000 3.519) 3.519 7.064 ( 0.000 0.000 7.630) 7.630 7.246 ( 0.000 0.000 3.515) 3.515 7.301 ( 0.000 0.000 5.796) 5.796 7.312 ( 0.000 0.000 -11.002) 11.002 7.358 ( 0.000 0.000 0.708) 0.708 7.383 ( 0.000 0.000 -11.610) 11.610 7.421 ( 0.000 0.000 4.530) 4.530 7.536 ( 0.000 0.000 -7.518) 7.518 7.653 ( 0.000 0.000 0.661) 0.661 7.699 ( 0.000 0.000 -3.793) 3.793 7.788 ( 0.000 0.000 -3.069) 3.069 7.799 ( 0.000 0.000 -3.864) 3.864 8.453 ( 0.000 0.000 3.815) 3.815 8.510 ( 0.000 0.000 4.417) 4.417 8.519 ( 0.000 0.000 -2.781) 2.781 8.591 ( 0.000 0.000 -3.210) 3.210 8.778 ( 0.000 0.000 2.178) 2.178 8.834 ( 0.000 0.000 -3.234) 3.234 8.950 ( 0.000 0.000 1.361) 1.361 8.954 ( 0.000 0.000 1.344) 1.344 8.974 ( 0.000 0.000 4.095) 4.095 9.029 ( 0.000 0.000 -1.415) 1.415 9.102 ( 0.000 0.000 3.333) 3.333 9.139 ( 0.000 0.000 -0.867) 0.867 9.945 ( 0.000 0.000 3.834) 3.834 10.015 ( 0.000 0.000 -3.372) 3.372 10.044 ( 0.000 0.000 1.703) 1.703 10.096 ( 0.000 0.000 -3.409) 3.409 10.518 ( 0.000 0.000 -7.409) 7.409 10.539 ( 0.000 0.000 -9.488) 9.488 10.676 ( 0.000 0.000 -4.160) 4.160 10.723 ( 0.000 0.000 -8.925) 8.925 ======================= Grid point 106 (38/48) ======================= q-point: ( 0.14 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( 7.216 0.000 18.596) 19.947 1.536 ( 2.204 0.000 19.149) 19.275 1.741 ( 4.876 0.000 -13.609) 14.457 1.862 ( 2.561 0.000 -11.206) 11.495 2.019 ( -3.379 0.000 9.443) 10.029 2.083 ( -1.702 0.000 -0.232) 1.718 2.097 ( -1.150 0.000 -4.084) 4.243 2.174 ( -1.310 0.000 5.521) 5.675 2.183 ( -4.211 0.000 -4.427) 6.109 2.301 ( -2.737 0.000 2.595) 3.772 2.314 ( -2.040 0.000 -3.676) 4.204 2.341 ( -3.171 0.000 -2.843) 4.258 2.530 ( -4.578 0.000 4.857) 6.674 2.630 ( -7.985 0.000 -4.785) 9.309 2.660 ( -2.465 0.000 15.048) 15.248 2.814 ( -11.737 0.000 -3.578) 12.271 2.831 ( -3.413 0.000 9.810) 10.387 3.124 ( 6.045 0.000 -14.054) 15.299 3.300 ( 13.352 0.000 1.172) 13.404 3.314 ( 6.443 0.000 7.657) 10.008 3.382 ( 11.727 0.000 -5.488) 12.948 3.501 ( 5.325 0.000 -8.163) 9.746 3.902 ( 4.120 0.000 4.085) 5.802 3.917 ( 5.001 0.000 2.517) 5.599 4.563 ( 2.467 0.000 4.594) 5.214 4.603 ( 0.097 0.000 2.859) 2.861 4.743 ( 2.519 0.000 4.403) 5.073 4.809 ( -2.405 0.000 9.445) 9.746 4.880 ( -2.669 0.000 2.806) 3.873 4.896 ( -3.229 0.000 -8.160) 8.776 5.165 ( -1.947 0.000 -1.255) 2.316 5.166 ( -4.270 0.000 0.668) 4.322 5.348 ( -6.211 0.000 -5.266) 8.143 5.358 ( -4.711 0.000 -4.603) 6.586 5.590 ( -1.543 0.000 3.171) 3.526 5.641 ( -0.178 0.000 -2.107) 2.114 5.932 ( -1.604 0.000 5.625) 5.849 5.984 ( -7.180 0.000 5.972) 9.339 6.032 ( 1.535 0.000 -0.493) 1.612 6.044 ( 0.118 0.000 -5.728) 5.730 6.215 ( -3.407 0.000 5.237) 6.248 6.261 ( 0.140 0.000 -2.024) 2.028 6.321 ( -10.063 0.000 3.797) 10.755 6.376 ( -8.685 0.000 0.677) 8.712 6.475 ( -0.720 0.000 10.865) 10.888 6.606 ( -4.801 0.000 9.556) 10.694 6.641 ( 0.258 0.000 -4.853) 4.859 6.750 ( -1.830 0.000 -6.679) 6.925 6.761 ( -11.654 0.000 5.949) 13.084 6.858 ( -7.612 0.000 -2.612) 8.048 6.925 ( -5.699 0.000 4.206) 7.083 6.980 ( -5.478 0.000 -1.687) 5.732 7.146 ( 2.151 0.000 6.474) 6.822 7.201 ( -3.501 0.000 1.579) 3.841 7.253 ( -5.714 0.000 -7.818) 9.683 7.302 ( 0.534 0.000 5.098) 5.126 7.332 ( -2.515 0.000 -2.110) 3.283 7.374 ( 0.316 0.000 -8.577) 8.583 7.494 ( 5.515 0.000 2.988) 6.272 7.554 ( 0.074 0.000 -4.221) 4.221 7.604 ( -0.919 0.000 0.979) 1.342 7.683 ( 3.711 0.000 -6.493) 7.479 7.872 ( 5.566 0.000 -1.892) 5.879 7.889 ( 6.684 0.000 -2.798) 7.246 8.451 ( -0.308 0.000 2.681) 2.699 8.475 ( -2.450 0.000 0.946) 2.626 8.533 ( 0.551 0.000 0.846) 1.010 8.544 ( -3.263 0.000 0.364) 3.284 8.740 ( -7.674 0.000 2.938) 8.217 8.792 ( -0.228 0.000 -3.023) 3.032 8.874 ( -4.932 0.000 0.218) 4.937 8.881 ( -5.431 0.000 -0.202) 5.435 9.037 ( 3.369 0.000 3.216) 4.658 9.073 ( 3.099 0.000 -0.381) 3.123 9.142 ( 2.579 0.000 -0.824) 2.707 9.142 ( 0.348 0.000 -0.820) 0.891 9.946 ( 0.099 0.000 3.754) 3.755 10.015 ( 0.004 0.000 -3.356) 3.356 10.041 ( -0.515 0.000 2.127) 2.188 10.091 ( -0.596 0.000 -2.996) 3.055 10.613 ( 10.039 0.000 1.945) 10.226 10.649 ( 13.302 0.000 1.794) 13.423 10.841 ( 14.608 0.000 -7.497) 16.420 10.907 ( 14.859 0.000 -11.028) 18.504 ======================= Grid point 107 (39/48) ======================= q-point: ( 0.29 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 11.928 0.000 14.958) 19.132 1.642 ( 8.782 0.000 18.058) 20.081 1.856 ( 6.690 0.000 -10.957) 12.837 1.889 ( -1.024 0.000 3.561) 3.706 1.981 ( 0.982 0.000 -11.283) 11.325 2.020 ( -5.747 0.000 -5.471) 7.935 2.066 ( 0.596 0.000 5.483) 5.515 2.119 ( -1.184 0.000 -2.384) 2.662 2.135 ( -2.308 0.000 -0.117) 2.311 2.230 ( -6.175 0.000 -3.882) 7.294 2.235 ( -4.179 0.000 4.146) 5.886 2.302 ( -2.132 0.000 -2.100) 2.993 2.393 ( -7.592 0.000 -2.334) 7.943 2.463 ( -8.864 0.000 -5.271) 10.313 2.514 ( -10.528 0.000 2.408) 10.800 2.574 ( -13.229 0.000 -4.030) 13.829 2.965 ( 12.717 0.000 17.657) 21.760 3.260 ( 7.588 0.000 -12.031) 14.224 3.425 ( 4.302 0.000 5.429) 6.927 3.476 ( 2.199 0.000 0.285) 2.218 3.621 ( 12.655 0.000 -0.134) 12.656 3.635 ( 10.348 0.000 -1.140) 10.411 3.975 ( 2.422 0.000 5.323) 5.848 3.996 ( 2.069 0.000 3.126) 3.748 4.617 ( 1.369 0.000 6.334) 6.480 4.630 ( 4.214 0.000 3.282) 5.341 4.779 ( -0.016 0.000 -2.620) 2.620 4.786 ( 0.631 0.000 13.304) 13.319 4.825 ( -3.878 0.000 -6.747) 7.782 4.876 ( 2.536 0.000 3.373) 4.220 5.068 ( -3.214 0.000 6.792) 7.514 5.103 ( -4.538 0.000 -5.269) 6.953 5.222 ( -7.651 0.000 -13.211) 15.267 5.263 ( -4.119 0.000 -9.166) 10.049 5.490 ( -8.193 0.000 4.027) 9.130 5.581 ( -6.549 0.000 -4.484) 7.937 5.835 ( -9.795 0.000 6.153) 11.567 5.835 ( -7.502 0.000 8.752) 11.527 6.031 ( -11.479 0.000 -12.478) 16.955 6.046 ( -2.356 0.000 -9.565) 9.851 6.101 ( -0.636 0.000 -0.087) 0.641 6.108 ( -5.013 0.000 -0.710) 5.063 6.264 ( -2.310 0.000 -0.829) 2.455 6.265 ( -0.972 0.000 -2.150) 2.360 6.417 ( -4.686 0.000 3.953) 6.131 6.513 ( -12.408 0.000 -6.219) 13.879 6.529 ( 1.341 0.000 9.868) 9.959 6.634 ( -4.430 0.000 3.610) 5.715 6.694 ( 0.293 0.000 -6.611) 6.618 6.719 ( -4.942 0.000 -5.525) 7.412 6.818 ( -5.578 0.000 8.001) 9.754 6.949 ( 0.972 0.000 -3.466) 3.600 7.108 ( -8.672 0.000 -5.146) 10.084 7.110 ( -3.359 0.000 -0.356) 3.378 7.138 ( -3.635 0.000 4.573) 5.841 7.243 ( -6.185 0.000 -3.465) 7.089 7.338 ( 3.167 0.000 4.092) 5.174 7.415 ( 3.754 0.000 -3.582) 5.189 7.520 ( -1.066 0.000 -0.010) 1.066 7.556 ( 0.355 0.000 -3.946) 3.962 7.736 ( 11.358 0.000 5.749) 12.730 7.828 ( 8.802 0.000 -1.808) 8.985 7.958 ( 3.215 0.000 -0.600) 3.270 8.001 ( 4.367 0.000 -2.617) 5.091 8.442 ( -0.239 0.000 1.125) 1.150 8.447 ( 0.049 0.000 0.181) 0.188 8.504 ( -0.793 0.000 0.640) 1.019 8.525 ( -1.905 0.000 -0.992) 2.147 8.601 ( -5.633 0.000 8.214) 9.960 8.736 ( -5.281 0.000 -4.076) 6.671 8.773 ( -5.865 0.000 -2.145) 6.244 8.778 ( -5.055 0.000 -4.437) 6.726 9.097 ( 2.886 0.000 2.300) 3.690 9.126 ( 2.210 0.000 -0.408) 2.247 9.153 ( 0.704 0.000 0.665) 0.969 9.175 ( 0.823 0.000 -1.278) 1.520 9.951 ( 0.432 0.000 3.454) 3.481 10.017 ( 0.245 0.000 -3.365) 3.374 10.021 ( -1.438 0.000 2.288) 2.702 10.072 ( -1.307 0.000 -2.960) 3.236 10.894 ( 17.243 0.000 11.332) 20.633 10.959 ( 17.051 0.000 9.144) 19.348 11.126 ( 13.283 0.000 -4.918) 14.164 11.174 ( 11.398 0.000 -5.544) 12.675 ======================= Grid point 108 (40/48) ======================= q-point: ( 0.43 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( 8.662 0.000 9.158) 12.606 1.831 ( 9.449 0.000 9.620) 13.484 1.869 ( 0.090 0.000 2.279) 2.281 1.939 ( 0.613 0.000 -3.515) 3.568 1.977 ( 0.787 0.000 -4.388) 4.458 2.015 ( 0.890 0.000 1.085) 1.403 2.071 ( -2.055 0.000 2.676) 3.374 2.092 ( -5.939 0.000 3.991) 7.155 2.133 ( 2.615 0.000 -3.087) 4.045 2.135 ( 3.431 0.000 -6.359) 7.226 2.170 ( -0.772 0.000 1.145) 1.381 2.263 ( -1.110 0.000 -7.485) 7.567 2.279 ( -5.817 0.000 -2.647) 6.391 2.308 ( -6.518 0.000 -5.226) 8.355 2.319 ( -7.293 0.000 -6.197) 9.571 2.340 ( -9.913 0.000 -5.944) 11.559 3.214 ( 12.404 0.000 11.311) 16.787 3.389 ( 5.563 0.000 -6.471) 8.534 3.411 ( -7.687 0.000 4.447) 8.881 3.456 ( -1.166 0.000 0.046) 1.167 3.838 ( 9.384 0.000 2.866) 9.812 3.840 ( 9.742 0.000 2.244) 9.997 3.965 ( -3.693 0.000 4.536) 5.849 3.975 ( -4.266 0.000 3.295) 5.391 4.656 ( 2.915 0.000 4.720) 5.548 4.699 ( 2.913 0.000 0.318) 2.931 4.728 ( -4.244 0.000 0.397) 4.262 4.757 ( -3.307 0.000 -4.135) 5.295 4.844 ( 5.425 0.000 6.305) 8.318 4.942 ( 4.021 0.000 -3.319) 5.214 4.979 ( -8.029 0.000 -3.272) 8.670 5.043 ( -5.685 0.000 -9.198) 10.813 5.141 ( 5.617 0.000 2.637) 6.205 5.263 ( 4.877 0.000 -7.571) 9.006 5.311 ( -10.055 0.000 3.552) 10.664 5.416 ( -9.674 0.000 -6.191) 11.485 5.725 ( 1.352 0.000 -4.378) 4.582 5.725 ( -2.689 0.000 0.464) 2.729 5.777 ( -8.582 0.000 -9.422) 12.745 5.881 ( -12.664 0.000 -14.763) 19.451 6.131 ( 2.101 0.000 -0.564) 2.176 6.145 ( 2.827 0.000 -1.840) 3.373 6.180 ( -3.725 0.000 -0.023) 3.726 6.190 ( -2.716 0.000 -0.835) 2.842 6.443 ( 4.536 0.000 1.877) 4.909 6.492 ( 5.751 0.000 -3.560) 6.764 6.536 ( -4.531 0.000 4.285) 6.236 6.598 ( 4.230 0.000 8.783) 9.748 6.613 ( -6.169 0.000 -3.899) 7.298 6.704 ( -6.200 0.000 9.297) 11.175 6.749 ( 5.146 0.000 -6.341) 8.167 6.885 ( -8.235 0.000 -9.218) 12.361 7.040 ( 2.735 0.000 0.717) 2.827 7.065 ( -0.958 0.000 -0.144) 0.969 7.078 ( -2.180 0.000 1.928) 2.910 7.126 ( -5.679 0.000 -2.375) 6.156 7.412 ( 4.237 0.000 3.414) 5.442 7.483 ( -2.924 0.000 2.009) 3.548 7.496 ( 4.059 0.000 -4.393) 5.981 7.550 ( -1.443 0.000 -4.677) 4.894 7.935 ( 8.406 0.000 4.565) 9.565 7.955 ( 4.069 0.000 4.561) 6.112 7.991 ( 0.107 0.000 2.776) 2.778 8.032 ( -1.592 0.000 0.185) 1.603 8.459 ( 2.080 0.000 -0.108) 2.083 8.465 ( 0.562 0.000 -0.404) 0.692 8.475 ( -1.567 0.000 1.896) 2.460 8.497 ( -0.875 0.000 -1.216) 1.498 8.563 ( 1.890 0.000 1.930) 2.702 8.649 ( -2.092 0.000 -4.624) 5.075 8.654 ( -6.295 0.000 -3.251) 7.085 8.683 ( -4.489 0.000 -6.925) 8.253 9.145 ( 2.132 0.000 1.313) 2.503 9.155 ( 0.943 0.000 0.255) 0.976 9.163 ( 0.149 0.000 1.188) 1.198 9.174 ( -0.840 0.000 0.083) 0.844 9.965 ( 1.092 0.000 2.982) 3.176 9.991 ( -1.596 0.000 2.529) 2.990 10.026 ( 0.783 0.000 -3.331) 3.422 10.046 ( -1.295 0.000 -3.171) 3.425 11.184 ( 11.546 0.000 10.696) 15.739 11.225 ( 9.493 0.000 8.288) 12.602 11.289 ( 2.933 0.000 2.178) 3.653 11.293 ( 0.428 0.000 3.531) 3.557 ======================= Grid point 112 (41/48) ======================= q-point: ( 0.00 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 0.000 10.137 17.792) 20.477 1.580 ( 0.000 5.030 17.891) 18.585 1.760 ( 0.000 6.030 -13.634) 14.908 1.866 ( 0.000 2.856 -11.334) 11.689 2.014 ( 0.000 -5.091 6.417) 8.192 2.019 ( 0.000 -4.131 9.647) 10.494 2.106 ( 0.000 -1.109 -5.303) 5.418 2.186 ( 0.000 -1.536 -5.833) 6.032 2.238 ( 0.000 3.996 2.708) 4.827 2.353 ( 0.000 -0.628 -6.104) 6.136 2.384 ( 0.000 2.165 2.361) 3.203 2.430 ( 0.000 3.077 -1.040) 3.248 2.585 ( 0.000 6.280 12.238) 13.756 2.683 ( 0.000 0.996 -0.744) 1.243 2.725 ( 0.000 3.856 12.512) 13.093 2.975 ( 0.000 -2.796 5.505) 6.174 3.055 ( 0.000 3.467 -14.328) 14.742 3.076 ( 0.000 -1.159 -5.896) 6.009 3.079 ( 0.000 8.317 7.835) 11.426 3.203 ( 0.000 -3.431 9.579) 10.175 3.301 ( 0.000 5.908 -14.411) 15.575 3.388 ( 0.000 -4.845 -8.571) 9.845 3.757 ( 0.000 -8.849 5.254) 10.291 3.814 ( 0.000 -5.622 -0.527) 5.647 4.553 ( 0.000 1.340 5.249) 5.418 4.624 ( 0.000 1.957 -1.561) 2.503 4.690 ( 0.000 -2.141 9.439) 9.679 4.834 ( 0.000 -2.069 -2.835) 3.510 4.911 ( 0.000 1.853 1.418) 2.334 4.977 ( 0.000 2.981 -3.209) 4.380 5.161 ( 0.000 -1.920 4.477) 4.872 5.185 ( 0.000 -1.278 1.207) 1.758 5.402 ( 0.000 -0.346 -2.354) 2.379 5.411 ( 0.000 -2.134 -1.874) 2.840 5.513 ( 0.000 -5.510 4.634) 7.200 5.590 ( 0.000 -3.933 -3.406) 5.203 5.954 ( 0.000 0.234 3.864) 3.871 5.998 ( 0.000 -1.350 5.057) 5.234 6.032 ( 0.000 0.795 -4.121) 4.197 6.086 ( 0.000 -0.573 -2.777) 2.836 6.268 ( 0.000 1.671 5.038) 5.308 6.288 ( 0.000 1.174 1.950) 2.276 6.365 ( 0.000 -1.176 7.356) 7.450 6.417 ( 0.000 -1.294 3.607) 3.832 6.523 ( 0.000 0.171 9.695) 9.696 6.613 ( 0.000 -1.989 7.365) 7.629 6.648 ( 0.000 0.887 -3.754) 3.857 6.737 ( 0.000 -1.613 -5.707) 5.931 6.941 ( 0.000 -0.726 2.851) 2.942 6.973 ( 0.000 0.184 -0.945) 0.962 6.976 ( 0.000 -0.916 13.482) 13.513 7.044 ( 0.000 1.532 4.776) 5.016 7.135 ( 0.000 6.179 5.127) 8.029 7.245 ( 0.000 0.396 2.514) 2.545 7.293 ( 0.000 -0.812 5.407) 5.468 7.330 ( 0.000 2.344 -9.891) 10.165 7.359 ( 0.000 0.066 0.146) 0.160 7.378 ( 0.000 0.163 -7.428) 7.430 7.428 ( 0.000 0.468 4.760) 4.783 7.531 ( 0.000 -0.752 -6.411) 6.455 7.668 ( 0.000 1.415 -0.143) 1.422 7.738 ( 0.000 2.975 -6.403) 7.060 7.775 ( 0.000 -1.278 -3.296) 3.535 7.792 ( 0.000 -0.408 -5.045) 5.062 8.463 ( 0.000 1.068 4.004) 4.144 8.515 ( 0.000 0.364 4.113) 4.129 8.532 ( 0.000 1.132 -2.874) 3.089 8.589 ( 0.000 -0.294 -2.832) 2.847 8.784 ( 0.000 0.731 2.492) 2.597 8.845 ( 0.000 1.035 -3.412) 3.565 8.921 ( 0.000 -2.518 2.492) 3.542 8.941 ( 0.000 -1.502 0.177) 1.512 8.983 ( 0.000 0.953 3.661) 3.783 9.033 ( 0.000 0.524 -1.353) 1.451 9.092 ( 0.000 -1.091 2.496) 2.724 9.121 ( 0.000 -1.641 -0.746) 1.803 9.958 ( 0.000 1.182 3.640) 3.827 10.026 ( 0.000 1.028 -3.373) 3.526 10.038 ( 0.000 -0.624 1.899) 1.999 10.091 ( 0.000 -0.486 -3.354) 3.389 10.528 ( 0.000 1.107 -6.777) 6.867 10.559 ( 0.000 1.916 -9.719) 9.906 10.657 ( 0.000 -1.805 -4.208) 4.579 10.707 ( 0.000 -1.642 -9.160) 9.306 ======================= Grid point 113 (42/48) ======================= q-point: ( 0.14 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 5.445 8.817 15.491) 18.637 1.587 ( 1.998 4.913 19.041) 19.766 1.774 ( 1.670 3.036 -10.348) 10.912 1.900 ( 2.193 2.257 -7.873) 8.478 1.986 ( -1.002 -3.359 9.543) 10.167 2.034 ( 0.368 -2.883 -1.228) 3.155 2.075 ( -2.290 -1.335 -3.180) 4.140 2.173 ( -2.994 -1.058 -5.928) 6.725 2.227 ( -1.295 3.402 0.803) 3.728 2.266 ( -6.109 -1.561 1.521) 6.486 2.372 ( -1.775 2.434 -3.682) 4.757 2.399 ( -3.159 3.067 -3.772) 5.798 2.543 ( -6.435 2.782 3.481) 7.828 2.587 ( -7.772 -0.373 -0.831) 7.825 2.723 ( -1.937 4.973 12.257) 13.369 2.838 ( -10.623 1.712 -1.359) 10.845 2.911 ( -2.314 7.221 9.449) 12.115 3.155 ( 7.565 3.029 -11.047) 13.727 3.272 ( 10.383 -1.866 3.768) 11.202 3.325 ( 9.511 0.170 1.455) 9.623 3.407 ( 9.878 2.703 -4.760) 11.293 3.485 ( 7.708 -1.417 -6.424) 10.134 3.815 ( 5.197 -8.117 5.507) 11.101 3.864 ( 4.683 -5.781 0.732) 7.476 4.575 ( 2.277 1.159 4.978) 5.595 4.616 ( -0.390 1.175 3.677) 3.880 4.719 ( 2.254 -1.896 4.037) 4.997 4.807 ( -2.399 -1.417 3.922) 4.811 4.870 ( -2.823 0.404 1.357) 3.158 4.911 ( -4.838 1.156 0.956) 5.066 5.155 ( -2.105 -0.805 -1.506) 2.710 5.167 ( -3.193 -0.386 -0.797) 3.313 5.298 ( -7.302 -4.077 -4.346) 9.425 5.354 ( -3.908 -0.477 -6.072) 7.236 5.556 ( 0.252 -2.947 3.181) 4.344 5.618 ( 1.071 -2.279 -3.111) 4.002 5.931 ( -1.769 -0.118 6.088) 6.341 5.968 ( -5.628 -1.176 6.934) 9.007 6.038 ( 1.076 0.443 -2.621) 2.868 6.055 ( -0.518 0.765 -5.278) 5.358 6.224 ( -3.789 0.945 4.884) 6.253 6.257 ( -0.433 -0.152 -0.852) 0.968 6.311 ( -10.072 -0.807 4.877) 11.220 6.380 ( -7.540 0.343 0.506) 7.565 6.477 ( -1.138 0.215 10.740) 10.802 6.586 ( -5.004 -1.886 9.022) 10.487 6.651 ( 0.468 0.843 -5.095) 5.185 6.723 ( -3.117 -1.892 -4.450) 5.753 6.754 ( -10.171 -0.675 4.181) 11.017 6.864 ( -9.089 0.350 -3.627) 9.792 6.951 ( -5.254 1.541 2.974) 6.230 6.983 ( -5.535 -0.573 -0.374) 5.577 7.158 ( -0.106 1.075 5.403) 5.510 7.200 ( -3.234 0.373 2.438) 4.067 7.251 ( -5.190 -1.071 -2.323) 5.786 7.293 ( -2.355 0.280 -4.072) 4.712 7.327 ( -1.734 0.146 1.410) 2.239 7.389 ( 0.638 1.386 -6.448) 6.626 7.473 ( 1.038 -1.078 2.004) 2.501 7.575 ( 2.158 0.717 -7.264) 7.612 7.623 ( 2.658 2.623 4.947) 6.198 7.749 ( 4.143 4.851 -7.710) 10.007 7.866 ( 6.517 -0.503 -1.263) 6.657 7.892 ( 7.218 0.212 -2.910) 7.785 8.447 ( -0.992 -0.167 2.628) 2.814 8.469 ( -3.434 -0.401 0.780) 3.544 8.545 ( 0.809 0.960 1.425) 1.899 8.561 ( -2.598 1.473 0.085) 2.988 8.750 ( -7.684 1.017 2.136) 8.040 8.790 ( -0.812 -0.166 -2.525) 2.658 8.858 ( -4.948 -1.451 0.091) 5.157 8.870 ( -5.397 -1.196 -0.826) 5.589 9.034 ( 3.112 -0.129 3.086) 4.385 9.061 ( 2.810 -0.982 0.128) 2.980 9.117 ( 1.037 -1.744 0.523) 2.095 9.151 ( 2.313 0.214 -2.692) 3.556 9.958 ( 0.001 1.102 3.608) 3.773 10.024 ( -0.110 0.864 -3.114) 3.233 10.035 ( -0.443 -0.522 2.044) 2.156 10.087 ( -0.569 -0.487 -2.988) 3.080 10.620 ( 9.743 0.688 2.409) 10.061 10.659 ( 13.043 0.943 2.857) 13.385 10.828 ( 14.913 -1.216 -8.392) 17.155 10.899 ( 15.190 -0.733 -11.548) 19.095 ======================= Grid point 114 (43/48) ======================= q-point: ( 0.29 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 9.076 4.467 11.522) 15.332 1.685 ( 7.560 4.051 17.942) 19.886 1.818 ( 2.562 -1.264 -4.811) 5.595 1.922 ( 0.643 0.580 4.252) 4.339 1.985 ( 0.352 -0.703 -6.159) 6.209 2.015 ( -1.678 -0.189 -4.216) 4.542 2.066 ( -0.139 -0.825 -0.242) 0.871 2.092 ( -1.830 -1.005 2.402) 3.183 2.172 ( -3.881 0.194 -3.580) 5.283 2.188 ( -2.468 2.139 -3.711) 4.944 2.322 ( -4.557 3.885 -3.832) 7.109 2.326 ( -3.169 1.522 -4.049) 5.362 2.383 ( -8.459 -0.168 -0.702) 8.490 2.439 ( -7.364 -0.481 -4.596) 8.694 2.561 ( -11.496 3.119 1.879) 12.059 2.601 ( -13.657 2.325 -2.505) 14.079 3.063 ( 12.881 9.705 15.878) 22.633 3.314 ( 8.405 5.445 -9.467) 13.781 3.437 ( 6.315 1.076 5.074) 8.172 3.487 ( 4.487 1.024 0.050) 4.603 3.616 ( 11.504 -0.109 0.397) 11.511 3.641 ( 9.477 0.261 -1.336) 9.575 3.913 ( 4.038 -6.295 6.030) 9.606 3.949 ( 2.976 -4.797 2.412) 6.139 4.617 ( 0.634 0.040 7.106) 7.134 4.635 ( 3.428 0.314 3.318) 4.781 4.751 ( 0.240 -2.013 1.544) 2.549 4.763 ( -1.379 -2.570 7.807) 8.334 4.831 ( -2.046 0.640 -4.837) 5.291 4.864 ( 1.132 -0.865 3.952) 4.201 5.072 ( -2.996 0.331 5.750) 6.492 5.096 ( -4.894 -0.720 -6.511) 8.177 5.169 ( -6.589 -3.946 -11.362) 13.714 5.276 ( -3.639 0.582 -10.007) 10.665 5.483 ( -7.180 -0.660 3.986) 8.238 5.577 ( -5.738 -0.511 -4.988) 7.620 5.827 ( -8.133 -0.698 8.998) 12.149 5.833 ( -9.951 -0.171 7.095) 12.223 6.033 ( -10.205 0.195 -12.222) 15.924 6.042 ( -3.302 -0.330 -10.119) 10.649 6.100 ( -0.603 -0.049 0.093) 0.612 6.116 ( -6.577 0.857 -1.470) 6.793 6.255 ( -1.541 -0.166 0.166) 1.559 6.268 ( -0.320 -0.320 -1.739) 1.797 6.394 ( -6.357 -1.996 2.666) 7.176 6.477 ( -10.512 -2.115 -2.580) 11.028 6.515 ( -4.583 -1.764 4.779) 6.852 6.623 ( -5.101 -1.519 -1.552) 5.544 6.686 ( 0.088 -0.649 -0.301) 0.720 6.735 ( -1.011 2.066 -3.990) 4.605 6.860 ( -4.154 2.974 5.110) 7.226 6.963 ( 1.538 0.737 -2.069) 2.681 7.107 ( -3.694 -0.308 -0.522) 3.743 7.118 ( -8.263 0.730 -4.919) 9.644 7.130 ( -4.367 -0.638 4.598) 6.373 7.225 ( -5.363 -1.503 -3.371) 6.510 7.322 ( 2.083 -1.421 3.071) 3.973 7.402 ( 1.972 -0.503 -4.615) 5.044 7.478 ( 0.339 -2.052 4.056) 4.558 7.586 ( -0.825 1.279 -6.650) 6.822 7.778 ( 10.382 3.638 6.731) 12.897 7.897 ( 9.457 5.647 -3.267) 11.489 7.978 ( 4.588 1.835 0.077) 4.942 8.021 ( 5.764 1.618 -1.646) 6.209 8.434 ( 0.168 -0.602 1.014) 1.191 8.440 ( 0.405 -0.986 0.401) 1.139 8.507 ( -2.271 0.610 1.428) 2.751 8.537 ( -2.657 1.076 -1.461) 3.217 8.607 ( -5.919 0.472 6.999) 9.179 8.732 ( -5.201 -0.392 -3.922) 6.525 8.753 ( -5.775 -1.746 -2.913) 6.699 8.765 ( -5.446 -1.271 -4.118) 6.945 9.090 ( 2.780 -0.578 1.967) 3.454 9.111 ( 2.086 -1.294 -0.243) 2.467 9.138 ( 1.098 -1.119 1.665) 2.287 9.177 ( 0.435 0.070 -2.211) 2.255 9.959 ( 0.239 0.811 3.377) 3.481 10.017 ( -1.170 -0.329 2.029) 2.365 10.025 ( -0.004 0.668 -3.000) 3.073 10.069 ( -1.161 -0.318 -2.964) 3.199 10.897 ( 17.082 0.294 11.595) 20.648 10.965 ( 16.822 0.539 9.903) 19.528 11.118 ( 13.556 -0.705 -5.584) 14.678 11.170 ( 11.553 -0.352 -5.843) 12.951 ======================= Grid point 115 (44/48) ======================= q-point: ( 0.43 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( 4.805 -0.725 6.032) 7.746 1.844 ( 6.376 0.504 7.609) 9.940 1.859 ( 2.057 -0.426 1.147) 2.394 1.943 ( 4.670 -0.471 1.415) 4.902 1.983 ( -4.190 1.631 -4.061) 6.059 2.022 ( 0.458 0.305 3.259) 3.305 2.051 ( 0.658 -0.709 1.119) 1.479 2.095 ( 4.501 -1.968 -1.384) 5.103 2.125 ( -3.996 2.241 0.411) 4.600 2.181 ( 2.252 2.430 -6.304) 7.122 2.220 ( -3.379 2.620 3.135) 5.302 2.269 ( -2.837 -0.290 -1.807) 3.376 2.280 ( -2.976 1.188 -9.131) 9.677 2.314 ( -5.998 1.426 -7.637) 9.815 2.355 ( -9.906 1.302 -4.725) 11.052 2.359 ( -7.420 2.950 -5.656) 9.786 3.303 ( 11.333 8.624 10.273) 17.560 3.448 ( 5.218 5.727 -4.423) 8.921 3.468 ( -5.418 5.405 4.164) 8.713 3.500 ( 0.078 4.163 1.229) 4.341 3.819 ( 9.108 -1.700 2.952) 9.724 3.827 ( 8.580 -1.533 2.255) 9.003 3.935 ( -2.228 -3.350 4.566) 6.086 3.946 ( -3.436 -2.854 3.207) 5.499 4.639 ( 1.902 -1.457 5.586) 6.078 4.687 ( -1.094 -2.098 2.245) 3.262 4.700 ( 0.807 -1.044 -1.248) 1.816 4.767 ( -3.985 0.149 -5.254) 6.596 4.830 ( 5.549 -1.132 5.884) 8.167 4.916 ( 3.783 -2.178 -2.245) 4.909 4.965 ( -8.079 -1.181 -3.841) 9.023 5.012 ( -6.091 -2.647 -9.409) 11.517 5.150 ( 6.838 0.848 4.044) 7.990 5.276 ( 4.502 0.975 -7.248) 8.587 5.319 ( -9.374 0.638 3.394) 9.990 5.424 ( -9.274 0.635 -6.255) 11.204 5.704 ( -0.994 -1.610 -2.436) 3.084 5.712 ( -1.356 -1.380 -2.206) 2.934 5.770 ( -9.634 -0.563 -10.401) 14.188 5.859 ( -13.187 -1.944 -14.985) 20.055 6.132 ( 2.239 0.143 -0.231) 2.255 6.148 ( 3.122 0.181 -1.615) 3.520 6.182 ( -3.761 0.131 0.248) 3.771 6.197 ( -2.583 0.542 -0.926) 2.797 6.399 ( 4.063 -3.620 1.765) 5.720 6.439 ( 3.734 -3.373 -1.917) 5.384 6.481 ( -2.892 -4.224 3.797) 6.373 6.526 ( -4.705 -3.456 -0.805) 5.894 6.698 ( 2.114 3.908 3.961) 5.952 6.758 ( -1.510 4.556 4.187) 6.370 6.799 ( 2.081 3.459 -2.708) 4.861 6.921 ( -7.819 2.983 -8.394) 11.853 7.032 ( 1.561 -0.874 1.430) 2.290 7.055 ( -1.356 -1.126 -0.436) 1.815 7.067 ( -1.400 -0.847 2.281) 2.807 7.121 ( -5.008 -0.422 -2.929) 5.817 7.387 ( 3.932 -2.400 3.671) 5.891 7.442 ( -0.475 -1.852 2.817) 3.405 7.486 ( 2.268 -1.809 -3.710) 4.709 7.548 ( -3.043 -0.252 -5.659) 6.430 7.957 ( 7.483 3.082 7.364) 10.942 8.029 ( 0.814 3.670 5.285) 6.485 8.045 ( 4.233 6.348 -0.101) 7.631 8.082 ( 0.350 4.330 -0.200) 4.348 8.456 ( 1.436 -0.344 0.436) 1.540 8.465 ( 0.849 -0.050 -0.836) 1.192 8.478 ( -1.391 0.337 1.289) 1.926 8.489 ( 0.377 -0.856 -0.902) 1.299 8.545 ( -0.111 -1.482 2.260) 2.704 8.631 ( -6.596 -2.155 -3.159) 7.624 8.645 ( -2.391 -0.488 -5.069) 5.626 8.670 ( -4.210 -1.251 -7.479) 8.674 9.137 ( 2.022 -0.702 1.181) 2.444 9.140 ( 1.039 -1.202 0.710) 1.740 9.151 ( 0.225 -0.982 1.327) 1.666 9.171 ( -1.060 -0.399 -0.500) 1.238 9.969 ( 0.872 0.417 2.966) 3.120 9.991 ( -1.372 0.003 2.553) 2.898 10.030 ( 0.590 0.389 -3.309) 3.384 10.047 ( -1.096 0.016 -3.168) 3.352 11.185 ( 11.426 0.066 10.776) 15.706 11.226 ( 9.263 0.138 8.551) 12.607 11.286 ( 3.171 -0.260 1.964) 3.739 11.292 ( 0.551 -0.127 3.427) 3.473 ======================= Grid point 119 (45/48) ======================= q-point: ( 0.00 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 0.000 10.183 13.567) 16.963 1.707 ( 0.000 7.232 14.824) 16.493 1.830 ( 0.000 -2.457 4.020) 4.711 1.842 ( 0.000 -6.778 7.492) 10.103 1.967 ( 0.000 1.532 -1.786) 2.353 1.989 ( 0.000 2.480 -5.856) 6.360 2.074 ( 0.000 -1.047 -10.091) 10.145 2.128 ( 0.000 -4.253 -11.026) 11.818 2.321 ( 0.000 4.276 -0.310) 4.288 2.346 ( 0.000 0.314 -2.045) 2.069 2.365 ( 0.000 -1.994 2.187) 2.959 2.410 ( 0.000 -3.966 -2.207) 4.539 2.770 ( 0.000 7.858 4.943) 9.284 2.821 ( 0.000 11.504 0.579) 11.518 2.888 ( 0.000 12.455 13.906) 18.668 2.896 ( 0.000 -5.226 6.600) 8.419 3.007 ( 0.000 -6.557 -3.915) 7.637 3.104 ( 0.000 -7.276 7.171) 10.215 3.135 ( 0.000 4.641 -11.081) 12.014 3.255 ( 0.000 -7.737 -6.750) 10.267 3.277 ( 0.000 11.662 6.936) 13.569 3.457 ( 0.000 9.466 -9.965) 13.744 3.530 ( 0.000 -13.277 7.146) 15.078 3.654 ( 0.000 -9.928 -4.930) 11.085 4.590 ( 0.000 2.351 6.275) 6.701 4.641 ( 0.000 -2.676 7.765) 8.213 4.682 ( 0.000 3.788 -2.585) 4.585 4.765 ( 0.000 -4.298 -4.549) 6.258 4.988 ( 0.000 5.242 4.914) 7.185 5.050 ( 0.000 4.407 -0.612) 4.449 5.094 ( 0.000 -4.904 5.189) 7.139 5.136 ( 0.000 -3.731 1.159) 3.906 5.376 ( 0.000 -0.400 -0.323) 0.514 5.412 ( 0.000 -3.943 3.182) 5.067 5.423 ( 0.000 2.538 -4.577) 5.234 5.498 ( 0.000 -4.751 -4.980) 6.883 5.961 ( 0.000 0.476 4.695) 4.719 5.974 ( 0.000 -0.922 5.218) 5.299 6.052 ( 0.000 1.058 -4.741) 4.858 6.071 ( 0.000 -0.906 -4.630) 4.718 6.304 ( 0.000 1.768 5.821) 6.084 6.327 ( 0.000 2.639 3.703) 4.548 6.337 ( 0.000 -1.565 6.967) 7.141 6.379 ( 0.000 -2.420 3.600) 4.338 6.534 ( 0.000 1.102 9.360) 9.425 6.568 ( 0.000 -2.282 8.195) 8.507 6.674 ( 0.000 1.593 -5.866) 6.079 6.705 ( 0.000 -1.571 -6.776) 6.956 6.935 ( 0.000 0.288 6.722) 6.728 6.952 ( 0.000 -1.260 10.325) 10.402 6.985 ( 0.000 1.337 0.878) 1.600 7.027 ( 0.000 -2.497 3.628) 4.404 7.228 ( 0.000 2.759 5.345) 6.014 7.269 ( 0.000 -1.641 5.039) 5.300 7.300 ( 0.000 4.228 0.482) 4.255 7.352 ( 0.000 -1.089 -1.256) 1.663 7.391 ( 0.000 1.975 -0.516) 2.042 7.412 ( 0.000 4.354 -6.996) 8.240 7.425 ( 0.000 -1.113 4.532) 4.666 7.493 ( 0.000 -3.232 -4.967) 5.926 7.702 ( 0.000 1.919 -1.483) 2.425 7.741 ( 0.000 -2.014 -2.974) 3.592 7.783 ( 0.000 1.224 -8.637) 8.723 7.790 ( 0.000 0.089 -7.724) 7.725 8.493 ( 0.000 1.697 3.938) 4.288 8.517 ( 0.000 -0.471 3.681) 3.711 8.556 ( 0.000 1.202 -2.447) 2.726 8.577 ( 0.000 -0.891 -2.129) 2.308 8.811 ( 0.000 2.045 2.879) 3.531 8.863 ( 0.000 -3.063 2.955) 4.256 8.870 ( 0.000 1.478 -2.950) 3.300 8.904 ( 0.000 -1.950 -1.324) 2.357 9.012 ( 0.000 2.028 2.633) 3.323 9.052 ( 0.000 1.366 -1.235) 1.842 9.058 ( 0.000 -2.313 1.754) 2.903 9.084 ( 0.000 -1.852 -0.792) 2.014 9.987 ( 0.000 1.692 3.095) 3.528 10.018 ( 0.000 -1.341 2.421) 2.768 10.051 ( 0.000 1.396 -3.336) 3.616 10.076 ( 0.000 -1.064 -3.299) 3.466 10.562 ( 0.000 2.248 -5.603) 6.037 10.607 ( 0.000 2.790 -9.855) 10.242 10.612 ( 0.000 -2.601 -4.632) 5.312 10.663 ( 0.000 -2.692 -9.605) 9.975 ======================= Grid point 120 (46/48) ======================= q-point: ( 0.14 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 1.149 8.056 10.833) 13.549 1.710 ( 2.225 6.914 16.995) 18.482 1.827 ( 0.124 -0.165 -0.730) 0.759 1.866 ( 1.651 -4.848 4.928) 7.107 1.895 ( -2.148 -3.261 11.062) 11.731 2.032 ( -3.073 -1.591 -9.305) 9.927 2.066 ( 3.145 3.533 -10.972) 11.948 2.135 ( 0.053 -2.814 -9.292) 9.709 2.239 ( -7.203 -0.687 3.229) 7.924 2.300 ( -2.468 3.527 -2.522) 4.990 2.372 ( -1.815 -1.282 -2.915) 3.665 2.388 ( -1.449 -2.512 -3.206) 4.324 2.626 ( -11.377 3.224 1.083) 11.875 2.652 ( -10.832 4.074 -1.601) 11.683 2.822 ( -8.772 3.161 5.798) 10.980 2.858 ( -7.445 0.431 1.757) 7.661 3.100 ( 7.537 10.635 10.725) 16.880 3.217 ( 13.314 0.929 1.051) 13.388 3.254 ( 9.621 2.029 -3.280) 10.365 3.310 ( 8.487 -1.886 -2.660) 9.092 3.435 ( 10.646 -3.314 3.474) 11.679 3.509 ( 5.831 7.100 -4.856) 10.392 3.626 ( 7.401 -8.204 3.410) 11.563 3.701 ( 4.656 -9.830 -2.560) 11.174 4.605 ( 1.478 1.770 5.965) 6.395 4.634 ( -0.515 -0.275 7.089) 7.113 4.697 ( 1.096 0.774 0.291) 1.373 4.749 ( -1.658 -3.542 -1.263) 4.110 4.900 ( -4.955 1.659 7.082) 8.801 4.940 ( -6.900 1.383 7.771) 10.483 5.132 ( 0.346 -1.188 -6.192) 6.315 5.149 ( -2.176 -1.219 -5.389) 5.938 5.226 ( -8.599 -2.155 -0.817) 8.903 5.353 ( -3.934 0.342 -7.633) 8.594 5.502 ( 2.535 -1.763 2.759) 4.141 5.568 ( 3.161 -1.936 -3.888) 5.372 5.929 ( -2.004 -0.032 6.736) 7.028 5.951 ( -4.718 -0.444 7.916) 9.226 6.048 ( 0.497 0.414 -3.501) 3.560 6.063 ( -0.376 0.077 -6.673) 6.684 6.244 ( -2.392 0.635 2.555) 3.557 6.265 ( -3.635 1.133 2.893) 4.782 6.291 ( -9.050 -1.230 6.128) 10.998 6.386 ( -5.541 0.169 0.317) 5.553 6.487 ( -2.004 0.795 9.796) 10.031 6.544 ( -5.197 -1.887 10.820) 12.151 6.664 ( -0.813 0.158 -7.715) 7.759 6.700 ( -3.034 -0.212 -3.564) 4.686 6.743 ( -9.032 -0.274 2.826) 9.468 6.871 ( -12.271 0.525 -5.346) 13.395 6.944 ( -2.971 -2.307 4.080) 5.549 6.966 ( -3.909 0.039 1.170) 4.080 7.174 ( -3.784 0.813 4.474) 5.915 7.195 ( -4.983 -1.064 5.406) 7.429 7.264 ( -3.986 2.077 -4.039) 6.043 7.300 ( -5.542 -0.414 -5.258) 7.651 7.335 ( -2.468 0.458 0.086) 2.511 7.423 ( 0.742 1.770 0.254) 1.936 7.455 ( -1.465 -0.975 -1.897) 2.587 7.584 ( 3.881 0.261 -7.631) 8.565 7.676 ( 5.724 1.886 6.838) 9.115 7.828 ( 5.731 2.512 -8.412) 10.485 7.854 ( 7.328 -0.658 -0.921) 7.415 7.894 ( 8.578 -0.024 -3.371) 9.217 8.447 ( -2.270 0.094 2.483) 3.366 8.464 ( -4.607 -0.102 0.702) 4.661 8.561 ( 1.462 0.471 2.321) 2.783 8.588 ( -1.923 0.951 -0.168) 2.151 8.773 ( -5.977 0.819 0.992) 6.113 8.793 ( -4.051 0.865 -1.380) 4.366 8.826 ( -4.947 -1.702 -0.699) 5.278 8.840 ( -4.624 -1.340 -1.927) 5.185 9.037 ( 1.661 0.166 1.564) 2.288 9.046 ( 2.364 0.030 0.919) 2.536 9.079 ( 1.964 -1.792 2.549) 3.683 9.153 ( 2.770 -0.007 -4.286) 5.103 9.985 ( -0.297 1.488 3.248) 3.586 10.017 ( -0.248 -1.156 2.539) 2.801 10.048 ( -0.296 1.277 -3.197) 3.455 10.072 ( -0.473 -1.019 -3.022) 3.224 10.634 ( 9.025 0.493 3.290) 9.619 10.679 ( 12.523 0.769 5.894) 13.862 10.803 ( 15.606 -0.949 -11.124) 19.188 10.885 ( 15.863 -0.504 -12.563) 20.241 ======================= Grid point 121 (47/48) ======================= q-point: ( 0.29 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( 5.265 4.179 10.640) 12.586 1.769 ( 2.496 2.983 10.291) 11.001 1.814 ( -0.234 0.400 -1.374) 1.450 1.909 ( 4.909 -1.132 7.439) 8.984 1.946 ( 4.330 -2.502 7.579) 9.080 1.994 ( -0.795 -1.582 -3.225) 3.679 2.055 ( -6.260 0.143 4.792) 7.885 2.079 ( -1.205 -0.312 -5.106) 5.256 2.188 ( 0.226 0.714 -10.352) 10.379 2.236 ( -3.515 1.946 -9.242) 10.077 2.317 ( -3.657 -1.333 -3.679) 5.356 2.356 ( -1.926 0.141 -5.717) 6.035 2.411 ( -10.410 1.561 -0.049) 10.527 2.465 ( -8.328 1.791 -5.722) 10.262 2.608 ( -12.394 1.314 2.399) 12.692 2.642 ( -13.822 1.291 -1.094) 13.925 3.311 ( 12.238 13.148 11.157) 21.145 3.439 ( 9.493 4.864 -1.567) 10.781 3.459 ( 10.234 0.923 3.910) 10.994 3.507 ( 9.846 0.585 -0.482) 9.875 3.623 ( 8.696 -2.576 2.474) 9.401 3.646 ( 7.791 3.697 -0.417) 8.634 3.753 ( 5.660 -7.383 4.888) 10.509 3.811 ( 5.714 -8.492 0.064) 10.236 4.620 ( -0.952 0.359 9.092) 9.148 4.637 ( 1.622 -0.132 3.718) 4.059 4.704 ( -2.597 -1.989 -1.463) 3.583 4.725 ( 2.280 -0.925 9.207) 9.530 4.844 ( -2.347 0.463 -4.207) 4.840 4.857 ( -1.201 0.140 7.797) 7.891 5.070 ( -5.014 -1.376 -7.793) 9.368 5.080 ( -4.691 0.128 -8.143) 9.398 5.108 ( -3.098 -1.530 -0.871) 3.564 5.284 ( -2.934 0.264 -9.651) 10.091 5.470 ( -5.612 -0.531 3.866) 6.836 5.562 ( -4.099 -0.669 -5.161) 6.624 5.814 ( -8.721 -0.446 9.302) 12.759 5.830 ( -10.695 -0.115 8.113) 13.424 6.033 ( -4.802 -0.175 -11.007) 12.010 6.040 ( -7.867 0.118 -11.483) 13.920 6.100 ( -0.858 -0.010 0.693) 1.103 6.138 ( -9.957 0.960 -3.273) 10.525 6.251 ( -0.702 -0.552 0.239) 0.925 6.263 ( -0.097 0.173 0.653) 0.683 6.357 ( -7.250 -1.259 1.011) 7.428 6.452 ( -15.595 -0.421 -6.004) 16.716 6.479 ( -3.732 -1.309 5.513) 6.785 6.589 ( -6.184 -1.245 -4.245) 7.603 6.683 ( 1.998 0.003 3.802) 4.295 6.771 ( 1.698 1.247 -5.061) 5.482 6.905 ( -2.410 1.211 3.492) 4.412 6.962 ( 2.717 -0.525 1.014) 2.947 7.094 ( -4.465 -0.865 3.720) 5.875 7.108 ( -4.401 -0.367 2.501) 5.075 7.148 ( -8.190 1.198 -6.482) 10.513 7.200 ( -4.677 -0.806 -4.707) 6.685 7.301 ( -0.093 -0.537 2.822) 2.874 7.399 ( 0.543 0.042 -6.053) 6.077 7.455 ( -0.293 -0.474 7.004) 7.026 7.601 ( -1.599 0.294 -7.718) 7.887 7.846 ( 10.053 2.357 7.815) 12.950 7.996 ( 10.414 3.370 -4.545) 11.851 8.013 ( 7.381 1.118 0.388) 7.475 8.046 ( 7.698 0.593 0.241) 7.725 8.415 ( -0.607 -0.938 1.278) 1.698 8.426 ( 0.396 -0.305 0.715) 0.873 8.524 ( -3.099 0.705 1.464) 3.499 8.561 ( -3.090 1.052 -1.962) 3.808 8.617 ( -7.183 0.437 5.388) 8.990 8.713 ( -6.462 -1.516 -1.881) 6.899 8.727 ( -4.714 -0.204 -5.207) 7.027 8.737 ( -5.808 -1.173 -4.354) 7.353 9.080 ( 2.427 -0.333 1.054) 2.667 9.087 ( 2.002 -0.816 0.170) 2.169 9.119 ( 1.582 -0.624 2.843) 3.313 9.177 ( 0.043 -0.077 -3.071) 3.072 9.978 ( -0.287 0.912 3.245) 3.383 10.007 ( -0.786 -0.637 2.453) 2.654 10.042 ( -0.304 0.946 -3.236) 3.385 10.059 ( -0.777 -0.719 -2.987) 3.169 10.903 ( 16.808 0.190 12.063) 20.690 10.976 ( 16.381 0.401 11.646) 20.103 11.105 ( 14.066 -0.501 -7.180) 15.800 11.164 ( 11.816 -0.226 -6.370) 13.426 ======================= Grid point 122 (48/48) ======================= q-point: ( 0.43 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 1.489 0.246 2.762) 3.147 1.836 ( -1.240 -0.569 7.156) 7.285 1.863 ( 6.083 0.160 -3.904) 7.230 1.953 ( 4.944 1.186 8.712) 10.087 2.007 ( -4.228 0.646 -6.080) 7.434 2.018 ( 2.119 -0.432 5.925) 6.307 2.049 ( 1.977 -0.585 1.315) 2.445 2.065 ( 2.885 -0.178 0.621) 2.957 2.153 ( 2.755 0.195 -4.034) 4.888 2.214 ( -2.127 1.684 -3.528) 4.450 2.248 ( -2.286 -1.366 -4.463) 5.197 2.255 ( -4.069 0.859 -0.641) 4.208 2.304 ( -5.178 0.641 -5.180) 7.352 2.362 ( -6.691 2.138 -7.215) 10.070 2.377 ( -7.762 0.582 -5.630) 9.607 2.406 ( -6.577 1.341 -4.998) 8.369 3.509 ( 7.790 10.073 7.389) 14.722 3.573 ( 3.381 4.417 2.949) 6.295 3.584 ( 2.669 5.376 2.236) 6.405 3.606 ( 0.961 5.597 1.809) 5.960 3.774 ( 6.051 -3.075 3.768) 7.764 3.780 ( 5.193 -2.507 4.390) 7.247 3.833 ( 2.517 -5.717 4.035) 7.437 3.871 ( -0.127 -4.061 0.805) 4.142 4.613 ( 0.611 -0.851 6.888) 6.967 4.643 ( -2.179 -1.498 3.269) 4.205 4.686 ( 2.737 -0.522 -2.213) 3.558 4.758 ( -3.499 -0.648 -6.054) 7.022 4.815 ( 4.319 -0.330 4.621) 6.334 4.880 ( 3.037 -1.026 0.222) 3.214 4.944 ( -8.213 -0.665 -4.827) 9.550 4.964 ( -5.566 -1.622 -8.965) 10.677 5.166 ( 7.418 0.556 4.823) 8.865 5.292 ( 4.618 0.498 -6.956) 8.364 5.329 ( -8.493 0.245 3.616) 9.234 5.434 ( -8.480 0.282 -6.215) 10.518 5.676 ( -1.467 -0.937 -3.545) 3.949 5.685 ( -2.579 -0.929 -2.261) 3.554 5.762 ( -11.430 -0.147 -12.315) 16.802 5.820 ( -14.144 -1.487 -15.519) 21.050 6.135 ( 2.397 0.075 0.152) 2.403 6.149 ( 3.457 -0.020 -1.142) 3.641 6.183 ( -3.360 -0.064 0.835) 3.463 6.205 ( -2.768 0.187 -0.788) 2.884 6.341 ( 3.597 -1.681 1.808) 4.362 6.391 ( 3.131 -1.240 -2.843) 4.407 6.419 ( -3.918 -1.679 3.256) 5.364 6.473 ( -5.382 -1.526 -2.030) 5.951 6.754 ( 4.929 1.542 3.826) 6.427 6.835 ( 2.275 2.588 -0.892) 3.560 6.852 ( -1.003 1.370 0.873) 1.909 6.972 ( -6.998 1.553 -7.101) 10.090 7.010 ( -0.763 -0.913 2.829) 3.069 7.027 ( -2.428 -1.190 3.605) 4.507 7.056 ( 0.633 -0.242 -1.360) 1.520 7.114 ( -4.252 -0.255 -3.983) 5.831 7.346 ( 3.954 -1.195 4.871) 6.387 7.418 ( -2.885 -0.636 5.626) 6.354 7.455 ( 4.012 -0.863 -5.476) 6.843 7.541 ( -4.290 -0.295 -6.313) 7.639 8.021 ( 7.520 2.374 8.959) 11.935 8.091 ( 0.888 1.991 6.936) 7.270 8.162 ( 3.928 3.081 0.742) 5.047 8.166 ( 4.515 4.123 -4.306) 7.479 8.436 ( 2.749 -1.635 1.822) 3.681 8.462 ( 2.447 -0.093 -0.809) 2.579 8.475 ( -0.971 -0.166 0.492) 1.101 8.489 ( -1.576 0.533 0.365) 1.704 8.525 ( -3.822 -0.259 1.357) 4.064 8.582 ( -7.156 -2.249 -3.091) 8.113 8.630 ( -3.044 -0.827 -6.592) 7.308 8.646 ( -3.931 -0.708 -7.893) 8.846 9.119 ( 1.333 -0.701 1.091) 1.860 9.125 ( 2.062 -0.375 0.622) 2.186 9.133 ( 0.050 -0.645 1.786) 1.899 9.162 ( -1.443 -0.322 -0.993) 1.781 9.978 ( 0.341 0.366 2.954) 2.996 9.990 ( -0.849 -0.117 2.588) 2.726 10.039 ( 0.085 0.421 -3.286) 3.314 10.045 ( -0.573 -0.181 -3.161) 3.218 11.186 ( 11.228 0.043 10.916) 15.659 11.229 ( 8.849 0.102 9.112) 12.702 11.281 ( 3.602 -0.177 1.481) 3.899 11.290 ( 0.750 -0.081 3.249) 3.335 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/20580 10.0 1418.034 1293.218 1391.182 0.000 0.000 -0.000 3/20580 20.0 297.468 283.372 294.597 0.000 0.000 -0.000 3/20580 30.0 120.645 113.971 120.034 0.000 0.000 -0.000 3/20580 40.0 64.969 60.738 64.706 0.000 0.000 -0.000 3/20580 50.0 40.995 37.533 40.844 0.000 0.000 -0.000 3/20580 60.0 28.706 25.642 28.610 0.000 0.000 -0.000 3/20580 70.0 21.635 18.871 21.571 0.000 0.000 -0.000 3/20580 80.0 17.203 14.686 17.157 0.000 0.000 -0.000 3/20580 90.0 14.230 11.920 14.196 0.000 0.000 -0.000 3/20580 100.0 12.126 9.991 12.099 0.000 0.000 -0.000 3/20580 110.0 10.571 8.584 10.549 0.000 0.000 -0.000 3/20580 120.0 9.379 7.520 9.361 0.000 0.000 -0.000 3/20580 130.0 8.438 6.691 8.423 0.000 0.000 -0.000 3/20580 140.0 7.677 6.029 7.664 0.000 0.000 -0.000 3/20580 150.0 7.049 5.488 7.037 0.000 0.000 -0.000 3/20580 160.0 6.521 5.038 6.510 0.000 0.000 -0.000 3/20580 170.0 6.071 4.659 6.061 0.000 0.000 -0.000 3/20580 180.0 5.682 4.335 5.673 0.000 0.000 -0.000 3/20580 190.0 5.343 4.054 5.334 0.000 0.000 -0.000 3/20580 200.0 5.044 3.809 5.036 0.000 0.000 -0.000 3/20580 210.0 4.778 3.592 4.770 0.000 0.000 -0.000 3/20580 220.0 4.540 3.400 4.533 0.000 0.000 -0.000 3/20580 230.0 4.326 3.228 4.319 0.000 0.000 -0.000 3/20580 240.0 4.132 3.074 4.125 0.000 0.000 -0.000 3/20580 250.0 3.955 2.934 3.949 0.000 0.000 -0.000 3/20580 260.0 3.793 2.806 3.787 0.000 0.000 -0.000 3/20580 270.0 3.645 2.690 3.639 0.000 0.000 -0.000 3/20580 280.0 3.508 2.583 3.502 0.000 0.000 -0.000 3/20580 290.0 3.381 2.485 3.376 0.000 0.000 -0.000 3/20580 300.0 3.263 2.394 3.258 0.000 0.000 -0.000 3/20580 310.0 3.154 2.309 3.149 0.000 0.000 -0.000 3/20580 320.0 3.052 2.231 3.047 0.000 0.000 -0.000 3/20580 330.0 2.956 2.158 2.951 0.000 0.000 -0.000 3/20580 340.0 2.866 2.090 2.862 0.000 0.000 -0.000 3/20580 350.0 2.782 2.025 2.778 0.000 0.000 -0.000 3/20580 360.0 2.703 1.965 2.698 0.000 0.000 -0.000 3/20580 370.0 2.628 1.909 2.624 0.000 0.000 -0.000 3/20580 380.0 2.557 1.855 2.553 0.000 0.000 -0.000 3/20580 390.0 2.490 1.805 2.486 0.000 0.000 -0.000 3/20580 400.0 2.426 1.757 2.423 0.000 0.000 -0.000 3/20580 410.0 2.366 1.712 2.362 0.000 0.000 -0.000 3/20580 420.0 2.309 1.669 2.305 0.000 0.000 -0.000 3/20580 430.0 2.254 1.629 2.251 0.000 0.000 -0.000 3/20580 440.0 2.202 1.590 2.199 0.000 0.000 -0.000 3/20580 450.0 2.152 1.553 2.149 0.000 0.000 -0.000 3/20580 460.0 2.105 1.518 2.102 0.000 0.000 -0.000 3/20580 470.0 2.060 1.484 2.056 0.000 0.000 -0.000 3/20580 480.0 2.016 1.452 2.013 0.000 0.000 -0.000 3/20580 490.0 1.974 1.421 1.971 0.000 0.000 -0.000 3/20580 500.0 1.935 1.392 1.932 0.000 0.000 -0.000 3/20580 510.0 1.896 1.364 1.893 0.000 0.000 -0.000 3/20580 520.0 1.859 1.337 1.857 0.000 0.000 -0.000 3/20580 530.0 1.824 1.311 1.821 0.000 0.000 -0.000 3/20580 540.0 1.790 1.286 1.787 0.000 0.000 -0.000 3/20580 550.0 1.757 1.262 1.754 0.000 0.000 -0.000 3/20580 560.0 1.725 1.238 1.723 0.000 0.000 -0.000 3/20580 570.0 1.695 1.216 1.692 0.000 0.000 -0.000 3/20580 580.0 1.665 1.195 1.663 0.000 0.000 -0.000 3/20580 590.0 1.637 1.174 1.635 0.000 0.000 -0.000 3/20580 600.0 1.610 1.154 1.607 0.000 0.000 -0.000 3/20580 610.0 1.583 1.134 1.581 0.000 0.000 -0.000 3/20580 620.0 1.557 1.116 1.555 0.000 0.000 -0.000 3/20580 630.0 1.533 1.098 1.530 0.000 0.000 -0.000 3/20580 640.0 1.508 1.080 1.506 0.000 0.000 -0.000 3/20580 650.0 1.485 1.063 1.483 0.000 0.000 -0.000 3/20580 660.0 1.463 1.047 1.460 0.000 0.000 -0.000 3/20580 670.0 1.441 1.031 1.438 0.000 0.000 -0.000 3/20580 680.0 1.419 1.015 1.417 0.000 0.000 -0.000 3/20580 690.0 1.399 1.000 1.397 0.000 0.000 -0.000 3/20580 700.0 1.379 0.986 1.377 0.000 0.000 -0.000 3/20580 710.0 1.359 0.972 1.357 0.000 0.000 -0.000 3/20580 720.0 1.340 0.958 1.338 0.000 0.000 -0.000 3/20580 730.0 1.322 0.945 1.320 0.000 0.000 -0.000 3/20580 740.0 1.304 0.932 1.302 0.000 0.000 -0.000 3/20580 750.0 1.286 0.919 1.285 0.000 0.000 -0.000 3/20580 760.0 1.269 0.907 1.268 0.000 0.000 -0.000 3/20580 770.0 1.253 0.895 1.251 0.000 0.000 -0.000 3/20580 780.0 1.237 0.883 1.235 0.000 0.000 -0.000 3/20580 790.0 1.221 0.872 1.219 0.000 0.000 -0.000 3/20580 800.0 1.206 0.861 1.204 0.000 0.000 -0.000 3/20580 810.0 1.191 0.850 1.189 0.000 0.000 -0.000 3/20580 820.0 1.176 0.839 1.175 0.000 0.000 -0.000 3/20580 830.0 1.162 0.829 1.160 0.000 0.000 -0.000 3/20580 840.0 1.148 0.819 1.147 0.000 0.000 -0.000 3/20580 850.0 1.135 0.809 1.133 0.000 0.000 -0.000 3/20580 860.0 1.121 0.800 1.120 0.000 0.000 -0.000 3/20580 870.0 1.109 0.791 1.107 0.000 0.000 -0.000 3/20580 880.0 1.096 0.782 1.094 0.000 0.000 -0.000 3/20580 890.0 1.084 0.773 1.082 0.000 0.000 -0.000 3/20580 900.0 1.072 0.764 1.070 0.000 0.000 -0.000 3/20580 910.0 1.060 0.755 1.058 0.000 0.000 -0.000 3/20580 920.0 1.048 0.747 1.047 0.000 0.000 -0.000 3/20580 930.0 1.037 0.739 1.035 0.000 0.000 -0.000 3/20580 940.0 1.026 0.731 1.024 0.000 0.000 -0.000 3/20580 950.0 1.015 0.723 1.014 0.000 0.000 -0.000 3/20580 960.0 1.005 0.716 1.003 0.000 0.000 -0.000 3/20580 970.0 0.994 0.708 0.993 0.000 0.000 -0.000 3/20580 980.0 0.984 0.701 0.983 0.000 0.000 -0.000 3/20580 990.0 0.974 0.694 0.973 0.000 0.000 -0.000 3/20580 1000.0 0.964 0.687 0.963 0.000 0.000 -0.000 3/20580 Thermal conductivity related properties were written into "kappa-m757.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:00:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|