----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:43:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.334295330065816 -3.939779890000000 0.000000000000000 b 3.334295330065816 3.939779890000000 0.000000000000000 c -3.298137947913789 0.000000000000000 6.755783467316936 Atomic positions (fractional): *1 H 0.13995623857112 0.04883849471955 0.20713389563708 1.008 2 H 0.95116150528045 0.86004376142888 0.29286610436292 1.008 3 H 0.86004376142888 0.95116150528045 0.79286610436292 1.008 4 H 0.04883849471955 0.13995623857112 0.70713389563708 1.008 *5 O 0.33017666805515 0.71177048651459 0.59833441519695 15.999 6 O 0.28822951348541 0.66982333194485 0.90166558480305 15.999 7 O 0.66982333194485 0.28822951348541 0.40166558480305 15.999 8 O 0.71177048651459 0.33017666805515 0.09833441519695 15.999 *9 O 0.72809359581923 0.67590957856672 0.84223661436197 15.999 10 O 0.32409042143328 0.27190640418077 0.65776338563803 15.999 11 O 0.27190640418077 0.32409042143328 0.15776338563803 15.999 12 O 0.67590957856672 0.72809359581923 0.34223661436197 15.999 *13 O 0.87966033532531 0.12033966467469 0.75000000000000 15.999 14 O 0.12033966467469 0.87966033532531 0.25000000000000 15.999 *15 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 16 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 *17 S 0.41495400414360 0.58504599585640 0.75000000000000 32.065 18 S 0.58504599585640 0.41495400414360 0.25000000000000 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.668590660131632 0.000000000000000 0.000000000000000 b 0.000000000000000 7.879559780000000 0.000000000000000 c -3.298137947913789 0.000000000000000 6.755783467316936 Atomic positions (fractional): *1 H 0.09439736664534 0.95444112807421 0.20713389563708 1.008 > 1 2 H 0.90560263335466 0.95444112807421 0.29286610436292 1.008 > 2 3 H 0.90560263335466 0.04555887192578 0.79286610436292 1.008 > 3 4 H 0.09439736664534 0.04555887192578 0.70713389563708 1.008 > 4 5 H 0.59439736664534 0.45444112807421 0.20713389563708 1.008 > 1 6 H 0.40560263335466 0.45444112807421 0.29286610436292 1.008 > 2 7 H 0.40560263335466 0.54555887192579 0.79286610436292 1.008 > 3 8 H 0.59439736664534 0.54555887192579 0.70713389563708 1.008 > 4 *9 O 0.52097357728487 0.19079690922972 0.59833441519695 15.999 > 5 10 O 0.47902642271513 0.19079690922972 0.90166558480305 15.999 > 6 11 O 0.47902642271513 0.80920309077028 0.40166558480305 15.999 > 7 12 O 0.52097357728487 0.80920309077028 0.09833441519695 15.999 > 8 *13 O 0.70200158719298 0.97390799137375 0.84223661436197 15.999 > 9 14 O 0.29799841280702 0.97390799137375 0.65776338563803 15.999 > 10 15 O 0.29799841280702 0.02609200862625 0.15776338563803 15.999 > 11 16 O 0.70200158719298 0.02609200862625 0.34223661436197 15.999 > 12 *17 O 0.50000000000000 0.62033966467469 0.75000000000000 15.999 > 13 18 O 0.50000000000000 0.37966033532531 0.25000000000000 15.999 > 14 19 O 0.02097357728487 0.69079690922972 0.59833441519695 15.999 > 5 20 O 0.97902642271513 0.69079690922972 0.90166558480305 15.999 > 6 21 O 0.97902642271513 0.30920309077028 0.40166558480305 15.999 > 7 22 O 0.02097357728487 0.30920309077028 0.09833441519695 15.999 > 8 23 O 0.20200158719298 0.47390799137375 0.84223661436197 15.999 > 9 24 O 0.79799841280702 0.47390799137375 0.65776338563803 15.999 > 10 25 O 0.79799841280702 0.52609200862625 0.15776338563803 15.999 > 11 26 O 0.20200158719298 0.52609200862625 0.34223661436197 15.999 > 12 27 O 0.00000000000000 0.12033966467469 0.75000000000000 15.999 > 13 28 O 0.00000000000000 0.87966033532531 0.25000000000000 15.999 > 14 *29 Mg 0.75000000000000 0.75000000000000 0.00000000000000 24.305 > 15 30 Mg 0.75000000000000 0.25000000000000 0.50000000000000 24.305 > 16 31 Mg 0.25000000000000 0.25000000000000 0.00000000000000 24.305 > 15 32 Mg 0.25000000000000 0.75000000000000 0.50000000000000 24.305 > 16 *33 S 0.50000000000000 0.08504599585640 0.75000000000000 32.065 > 17 34 S 0.50000000000000 0.91495400414360 0.25000000000000 32.065 > 18 35 S 0.00000000000000 0.58504599585640 0.75000000000000 32.065 > 17 36 S 0.00000000000000 0.41495400414360 0.25000000000000 32.065 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.337181320263264 0.000000000000000 0.000000000000000 b 0.000000000000000 7.879559780000000 0.000000000000000 c -6.596275895827578 0.000000000000000 13.511566934633873 Atomic positions (fractional): *1 H 0.04719868332267 0.95444112807421 0.10356694781854 1.008 > 1 2 H 0.54719868332267 0.95444112807421 0.10356694781854 1.008 > 1 3 H 0.04719868332267 0.95444112807421 0.60356694781854 1.008 > 1 4 H 0.54719868332267 0.95444112807421 0.60356694781854 1.008 > 1 5 H 0.45280131667733 0.95444112807421 0.14643305218146 1.008 > 2 6 H 0.95280131667733 0.95444112807421 0.14643305218146 1.008 > 2 7 H 0.45280131667733 0.95444112807421 0.64643305218146 1.008 > 2 8 H 0.95280131667733 0.95444112807421 0.64643305218146 1.008 > 2 9 H 0.45280131667733 0.04555887192578 0.39643305218146 1.008 > 3 10 H 0.95280131667733 0.04555887192578 0.39643305218146 1.008 > 3 11 H 0.45280131667733 0.04555887192578 0.89643305218146 1.008 > 3 12 H 0.95280131667733 0.04555887192578 0.89643305218146 1.008 > 3 13 H 0.04719868332267 0.04555887192578 0.35356694781854 1.008 > 4 14 H 0.54719868332267 0.04555887192578 0.35356694781854 1.008 > 4 15 H 0.04719868332267 0.04555887192578 0.85356694781854 1.008 > 4 16 H 0.54719868332267 0.04555887192578 0.85356694781854 1.008 > 4 17 H 0.29719868332267 0.45444112807421 0.10356694781854 1.008 > 1 18 H 0.79719868332267 0.45444112807421 0.10356694781854 1.008 > 1 19 H 0.29719868332267 0.45444112807421 0.60356694781854 1.008 > 1 20 H 0.79719868332267 0.45444112807421 0.60356694781854 1.008 > 1 21 H 0.20280131667733 0.45444112807421 0.14643305218146 1.008 > 2 22 H 0.70280131667733 0.45444112807421 0.14643305218146 1.008 > 2 23 H 0.20280131667733 0.45444112807421 0.64643305218146 1.008 > 2 24 H 0.70280131667733 0.45444112807421 0.64643305218146 1.008 > 2 25 H 0.20280131667733 0.54555887192579 0.39643305218146 1.008 > 3 26 H 0.70280131667733 0.54555887192579 0.39643305218146 1.008 > 3 27 H 0.20280131667733 0.54555887192579 0.89643305218146 1.008 > 3 28 H 0.70280131667733 0.54555887192579 0.89643305218146 1.008 > 3 29 H 0.29719868332267 0.54555887192579 0.35356694781854 1.008 > 4 30 H 0.79719868332267 0.54555887192579 0.35356694781854 1.008 > 4 31 H 0.29719868332267 0.54555887192579 0.85356694781854 1.008 > 4 32 H 0.79719868332267 0.54555887192579 0.85356694781854 1.008 > 4 *33 O 0.26048678864243 0.19079690922972 0.29916720759848 15.999 > 5 34 O 0.76048678864243 0.19079690922972 0.29916720759848 15.999 > 5 35 O 0.26048678864243 0.19079690922972 0.79916720759848 15.999 > 5 36 O 0.76048678864243 0.19079690922972 0.79916720759848 15.999 > 5 37 O 0.23951321135757 0.19079690922972 0.45083279240152 15.999 > 6 38 O 0.73951321135757 0.19079690922972 0.45083279240152 15.999 > 6 39 O 0.23951321135757 0.19079690922972 0.95083279240152 15.999 > 6 40 O 0.73951321135757 0.19079690922972 0.95083279240152 15.999 > 6 41 O 0.23951321135757 0.80920309077028 0.20083279240152 15.999 > 7 42 O 0.73951321135757 0.80920309077028 0.20083279240152 15.999 > 7 43 O 0.23951321135757 0.80920309077028 0.70083279240152 15.999 > 7 44 O 0.73951321135757 0.80920309077028 0.70083279240152 15.999 > 7 45 O 0.26048678864243 0.80920309077028 0.04916720759848 15.999 > 8 46 O 0.76048678864243 0.80920309077028 0.04916720759848 15.999 > 8 47 O 0.26048678864243 0.80920309077028 0.54916720759848 15.999 > 8 48 O 0.76048678864243 0.80920309077028 0.54916720759848 15.999 > 8 *49 O 0.35100079359649 0.97390799137375 0.42111830718098 15.999 > 9 50 O 0.85100079359649 0.97390799137375 0.42111830718098 15.999 > 9 51 O 0.35100079359649 0.97390799137375 0.92111830718098 15.999 > 9 52 O 0.85100079359649 0.97390799137375 0.92111830718098 15.999 > 9 53 O 0.14899920640351 0.97390799137375 0.32888169281902 15.999 > 10 54 O 0.64899920640351 0.97390799137375 0.32888169281902 15.999 > 10 55 O 0.14899920640351 0.97390799137375 0.82888169281902 15.999 > 10 56 O 0.64899920640351 0.97390799137375 0.82888169281902 15.999 > 10 57 O 0.14899920640351 0.02609200862625 0.07888169281902 15.999 > 11 58 O 0.64899920640351 0.02609200862625 0.07888169281902 15.999 > 11 59 O 0.14899920640351 0.02609200862625 0.57888169281902 15.999 > 11 60 O 0.64899920640351 0.02609200862625 0.57888169281902 15.999 > 11 61 O 0.35100079359649 0.02609200862625 0.17111830718098 15.999 > 12 62 O 0.85100079359649 0.02609200862625 0.17111830718098 15.999 > 12 63 O 0.35100079359649 0.02609200862625 0.67111830718098 15.999 > 12 64 O 0.85100079359649 0.02609200862625 0.67111830718098 15.999 > 12 *65 O 0.25000000000000 0.62033966467469 0.37500000000000 15.999 > 13 66 O 0.75000000000000 0.62033966467469 0.37500000000000 15.999 > 13 67 O 0.25000000000000 0.62033966467469 0.87500000000000 15.999 > 13 68 O 0.75000000000000 0.62033966467469 0.87500000000000 15.999 > 13 69 O 0.25000000000000 0.37966033532531 0.12500000000000 15.999 > 14 70 O 0.75000000000000 0.37966033532531 0.12500000000000 15.999 > 14 71 O 0.25000000000000 0.37966033532531 0.62500000000000 15.999 > 14 72 O 0.75000000000000 0.37966033532531 0.62500000000000 15.999 > 14 73 O 0.01048678864243 0.69079690922972 0.29916720759848 15.999 > 5 74 O 0.51048678864243 0.69079690922972 0.29916720759848 15.999 > 5 75 O 0.01048678864243 0.69079690922972 0.79916720759848 15.999 > 5 76 O 0.51048678864243 0.69079690922972 0.79916720759848 15.999 > 5 77 O 0.48951321135757 0.69079690922972 0.45083279240152 15.999 > 6 78 O 0.98951321135757 0.69079690922972 0.45083279240152 15.999 > 6 79 O 0.48951321135757 0.69079690922972 0.95083279240152 15.999 > 6 80 O 0.98951321135757 0.69079690922972 0.95083279240152 15.999 > 6 81 O 0.48951321135757 0.30920309077028 0.20083279240152 15.999 > 7 82 O 0.98951321135757 0.30920309077028 0.20083279240152 15.999 > 7 83 O 0.48951321135757 0.30920309077028 0.70083279240152 15.999 > 7 84 O 0.98951321135757 0.30920309077028 0.70083279240152 15.999 > 7 85 O 0.01048678864243 0.30920309077028 0.04916720759848 15.999 > 8 86 O 0.51048678864243 0.30920309077028 0.04916720759848 15.999 > 8 87 O 0.01048678864243 0.30920309077028 0.54916720759848 15.999 > 8 88 O 0.51048678864243 0.30920309077028 0.54916720759848 15.999 > 8 89 O 0.10100079359649 0.47390799137375 0.42111830718098 15.999 > 9 90 O 0.60100079359649 0.47390799137375 0.42111830718098 15.999 > 9 91 O 0.10100079359649 0.47390799137375 0.92111830718098 15.999 > 9 92 O 0.60100079359649 0.47390799137375 0.92111830718098 15.999 > 9 93 O 0.39899920640351 0.47390799137375 0.32888169281902 15.999 > 10 94 O 0.89899920640351 0.47390799137375 0.32888169281902 15.999 > 10 95 O 0.39899920640351 0.47390799137375 0.82888169281902 15.999 > 10 96 O 0.89899920640351 0.47390799137375 0.82888169281902 15.999 > 10 97 O 0.39899920640351 0.52609200862625 0.07888169281902 15.999 > 11 98 O 0.89899920640351 0.52609200862625 0.07888169281902 15.999 > 11 99 O 0.39899920640351 0.52609200862625 0.57888169281902 15.999 > 11 100 O 0.89899920640351 0.52609200862625 0.57888169281902 15.999 > 11 101 O 0.10100079359649 0.52609200862625 0.17111830718098 15.999 > 12 102 O 0.60100079359649 0.52609200862625 0.17111830718098 15.999 > 12 103 O 0.10100079359649 0.52609200862625 0.67111830718098 15.999 > 12 104 O 0.60100079359649 0.52609200862625 0.67111830718098 15.999 > 12 105 O 0.00000000000000 0.12033966467469 0.37500000000000 15.999 > 13 106 O 0.50000000000000 0.12033966467469 0.37500000000000 15.999 > 13 107 O 0.00000000000000 0.12033966467469 0.87500000000000 15.999 > 13 108 O 0.50000000000000 0.12033966467469 0.87500000000000 15.999 > 13 109 O 0.00000000000000 0.87966033532531 0.12500000000000 15.999 > 14 110 O 0.50000000000000 0.87966033532531 0.12500000000000 15.999 > 14 111 O 0.00000000000000 0.87966033532531 0.62500000000000 15.999 > 14 112 O 0.50000000000000 0.87966033532531 0.62500000000000 15.999 > 14 *113 Mg 0.37500000000000 0.75000000000000 0.00000000000000 24.305 > 15 114 Mg 0.87500000000000 0.75000000000000 0.00000000000000 24.305 > 15 115 Mg 0.37500000000000 0.75000000000000 0.50000000000000 24.305 > 15 116 Mg 0.87500000000000 0.75000000000000 0.50000000000000 24.305 > 15 117 Mg 0.37500000000000 0.25000000000000 0.25000000000000 24.305 > 16 118 Mg 0.87500000000000 0.25000000000000 0.25000000000000 24.305 > 16 119 Mg 0.37500000000000 0.25000000000000 0.75000000000000 24.305 > 16 120 Mg 0.87500000000000 0.25000000000000 0.75000000000000 24.305 > 16 121 Mg 0.12500000000000 0.25000000000000 0.00000000000000 24.305 > 15 122 Mg 0.62500000000000 0.25000000000000 0.00000000000000 24.305 > 15 123 Mg 0.12500000000000 0.25000000000000 0.50000000000000 24.305 > 15 124 Mg 0.62500000000000 0.25000000000000 0.50000000000000 24.305 > 15 125 Mg 0.12500000000000 0.75000000000000 0.25000000000000 24.305 > 16 126 Mg 0.62500000000000 0.75000000000000 0.25000000000000 24.305 > 16 127 Mg 0.12500000000000 0.75000000000000 0.75000000000000 24.305 > 16 128 Mg 0.62500000000000 0.75000000000000 0.75000000000000 24.305 > 16 *129 S 0.25000000000000 0.08504599585640 0.37500000000000 32.065 > 17 130 S 0.75000000000000 0.08504599585640 0.37500000000000 32.065 > 17 131 S 0.25000000000000 0.08504599585640 0.87500000000000 32.065 > 17 132 S 0.75000000000000 0.08504599585640 0.87500000000000 32.065 > 17 133 S 0.25000000000000 0.91495400414360 0.12500000000000 32.065 > 18 134 S 0.75000000000000 0.91495400414360 0.12500000000000 32.065 > 18 135 S 0.25000000000000 0.91495400414360 0.62500000000000 32.065 > 18 136 S 0.75000000000000 0.91495400414360 0.62500000000000 32.065 > 18 137 S 0.00000000000000 0.58504599585640 0.37500000000000 32.065 > 17 138 S 0.50000000000000 0.58504599585640 0.37500000000000 32.065 > 17 139 S 0.00000000000000 0.58504599585640 0.87500000000000 32.065 > 17 140 S 0.50000000000000 0.58504599585640 0.87500000000000 32.065 > 17 141 S 0.00000000000000 0.41495400414360 0.12500000000000 32.065 > 18 142 S 0.50000000000000 0.41495400414360 0.12500000000000 32.065 > 18 143 S 0.00000000000000 0.41495400414360 0.62500000000000 32.065 > 18 144 S 0.50000000000000 0.41495400414360 0.62500000000000 32.065 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6703432 0.0000000 -0.0623641 0.0000000 2.4197882 0.0000000 -0.0623638 0.0000000 2.4148558 -------------------------- Born effective charges -------------------------- 1 H 1.3385018 0.4326036 -0.2080771 0.2372575 0.4108282 -0.0626452 -0.0854032 -0.0220391 0.4086524 2 H 1.3385018 -0.4326036 -0.2080771 -0.2372575 0.4108282 0.0626452 -0.0854032 0.0220391 0.4086524 3 H 1.3385018 0.4326036 -0.2080771 0.2372575 0.4108282 -0.0626452 -0.0854032 -0.0220391 0.4086524 4 H 1.3385018 -0.4326036 -0.2080771 -0.2372575 0.4108282 0.0626452 -0.0854032 0.0220391 0.4086524 5 O -1.4306229 -0.4005461 0.5164381 -0.3914918 -1.2616152 0.4447449 0.5131812 0.4448658 -1.4481302 6 O -1.4306229 0.4005461 0.5164381 0.3914918 -1.2616152 -0.4447449 0.5131812 -0.4448658 -1.4481302 7 O -1.4306229 -0.4005461 0.5164381 -0.3914918 -1.2616152 0.4447449 0.5131812 0.4448658 -1.4481302 8 O -1.4306229 0.4005461 0.5164381 0.3914918 -1.2616152 -0.4447449 0.5131812 -0.4448658 -1.4481302 9 O -1.9305051 0.3845755 -0.2817930 0.3065341 -1.4381046 0.4412038 -0.2252253 0.4408325 -1.1716225 10 O -1.9305051 -0.3845755 -0.2817930 -0.3065341 -1.4381046 -0.4412038 -0.2252253 -0.4408325 -1.1716225 11 O -1.9305051 0.3845755 -0.2817930 0.3065341 -1.4381046 0.4412038 -0.2252253 0.4408325 -1.1716225 12 O -1.9305051 -0.3845755 -0.2817930 -0.3065341 -1.4381046 -0.4412038 -0.2252253 -0.4408325 -1.1716225 13 O -1.8098366 0.0000000 0.1080253 0.0000000 -0.9002142 0.0000000 0.0175489 0.0000000 -1.0936105 14 O -1.8098366 0.0000000 0.1080253 0.0000000 -0.9002142 0.0000000 0.0175489 0.0000000 -1.0936105 15 Mg 2.1297734 -0.2761666 0.0322047 -0.2894781 2.3143822 -0.0888286 -0.3451673 -0.0871931 2.2043183 16 Mg 2.1297734 0.2761666 0.0322047 0.2894781 2.3143822 0.0888286 -0.3451673 0.0871931 2.2043183 17 S 3.7253156 0.0000000 -0.1933660 0.0000000 3.1636152 0.0000000 -0.0774871 0.0000000 3.3114929 18 S 3.7253156 0.0000000 -0.1933660 0.0000000 3.1636152 0.0000000 -0.0774871 0.0000000 3.3114929 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 14112/14112 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3064 Number of blocks in projector: 3064 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: 658 Use submatrix version of eigh solver. (1) Block: 500 / 658 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 658 / 658 (1) 151 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 642 Use submatrix version of eigh solver. (1) Block: 500 / 642 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 642 / 642 (1) 136 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 642 Use submatrix version of eigh solver. (1) Block: 500 / 642 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 642 / 642 (1) 136 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 374 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 374 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 374 Use standard eigh solver. Tree of FC basis block matrices: - (3064, 3019), data: False |-- (374, 368), data: True |-- (374, 368), data: True |-- (374, 368), data: True |-- (642, 634), data: False |-- (642, 6), data: (642, 14) @ (14, 6) |-- (142, 136), data: True |-- (500, 492), data: False |-- (500, 6), data: (500, 14) @ (14, 6) |-- (250, 244), data: True |-- (250, 242), data: True |-- (642, 634), data: False |-- (642, 6), data: (642, 14) @ (14, 6) |-- (142, 136), data: True |-- (500, 492), data: False |-- (500, 6), data: (500, 14) @ (14, 6) |-- (250, 244), data: True |-- (250, 242), data: True |-- (658, 647), data: False |-- (658, 7), data: (658, 18) @ (18, 7) |-- (158, 151), data: True |-- (500, 489), data: False |-- (500, 11), data: (500, 22) @ (22, 11) |-- (250, 239), data: True |-- (250, 239), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 560 - Time: 1.358 Solver_block: 200 / 560 - Time: 1.107 Solver_block: 300 / 560 - Time: 1.100 Solver_block: 400 / 560 - Time: 1.110 Solver_block: 500 / 560 - Time: 1.106 Solver_block: 560 / 560 - Time: 0.705 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.611 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 14112/14112 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3064 Number of blocks in projector: 3064 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: 658 Use submatrix version of eigh solver. (1) Block: 500 / 658 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 658 / 658 (1) 151 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 642 Use submatrix version of eigh solver. (1) Block: 500 / 642 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 642 / 642 (1) 136 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 642 Use submatrix version of eigh solver. (1) Block: 500 / 642 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 642 / 642 (1) 136 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 374 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 374 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 374 Use standard eigh solver. Tree of FC basis block matrices: - (3064, 3019), data: False |-- (374, 368), data: True |-- (374, 368), data: True |-- (374, 368), data: True |-- (642, 634), data: False |-- (642, 6), data: (642, 14) @ (14, 6) |-- (142, 136), data: True |-- (500, 492), data: False |-- (500, 6), data: (500, 14) @ (14, 6) |-- (250, 244), data: True |-- (250, 242), data: True |-- (642, 634), data: False |-- (642, 6), data: (642, 14) @ (14, 6) |-- (142, 136), data: True |-- (500, 492), data: False |-- (500, 6), data: (500, 14) @ (14, 6) |-- (250, 244), data: True |-- (250, 242), data: True |-- (658, 647), data: False |-- (658, 7), data: (658, 18) @ (18, 7) |-- (158, 151), data: True |-- (500, 489), data: False |-- (500, 11), data: (500, 22) @ (22, 11) |-- (250, 239), data: True |-- (250, 239), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 05:44:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:44:27]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.334295330065816 -3.939779890000000 0.000000000000000 b 3.334295330065816 3.939779890000000 0.000000000000000 c -3.298137947913789 0.000000000000000 6.755783467316936 Atomic positions (fractional): 1 H 0.13995623857112 0.04883849471955 0.20713389563708 1.008 2 H 0.95116150528045 0.86004376142888 0.29286610436292 1.008 3 H 0.86004376142888 0.95116150528045 0.79286610436292 1.008 4 H 0.04883849471955 0.13995623857112 0.70713389563708 1.008 5 O 0.33017666805515 0.71177048651459 0.59833441519695 15.999 6 O 0.28822951348541 0.66982333194485 0.90166558480305 15.999 7 O 0.66982333194485 0.28822951348541 0.40166558480305 15.999 8 O 0.71177048651459 0.33017666805515 0.09833441519695 15.999 9 O 0.72809359581923 0.67590957856672 0.84223661436197 15.999 10 O 0.32409042143328 0.27190640418077 0.65776338563803 15.999 11 O 0.27190640418077 0.32409042143328 0.15776338563803 15.999 12 O 0.67590957856672 0.72809359581923 0.34223661436197 15.999 13 O 0.87966033532531 0.12033966467469 0.75000000000000 15.999 14 O 0.12033966467469 0.87966033532531 0.25000000000000 15.999 15 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 16 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 17 S 0.41495400414360 0.58504599585640 0.75000000000000 32.065 18 S 0.58504599585640 0.41495400414360 0.25000000000000 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.337181320263264 0.000000000000000 0.000000000000000 b 0.000000000000000 7.879559780000000 0.000000000000000 c -6.596275895827578 0.000000000000000 13.511566934633873 Atomic positions (fractional): 1 H 0.04719868332267 0.95444112807421 0.10356694781854 1.008 > 1 2 H 0.54719868332267 0.95444112807421 0.10356694781854 1.008 > 1 3 H 0.04719868332267 0.95444112807421 0.60356694781854 1.008 > 1 4 H 0.54719868332267 0.95444112807421 0.60356694781854 1.008 > 1 5 H 0.45280131667733 0.95444112807421 0.14643305218146 1.008 > 5 6 H 0.95280131667733 0.95444112807421 0.14643305218146 1.008 > 5 7 H 0.45280131667733 0.95444112807421 0.64643305218146 1.008 > 5 8 H 0.95280131667733 0.95444112807421 0.64643305218146 1.008 > 5 9 H 0.45280131667733 0.04555887192578 0.39643305218146 1.008 > 9 10 H 0.95280131667733 0.04555887192578 0.39643305218146 1.008 > 9 11 H 0.45280131667733 0.04555887192578 0.89643305218146 1.008 > 9 12 H 0.95280131667733 0.04555887192578 0.89643305218146 1.008 > 9 13 H 0.04719868332267 0.04555887192578 0.35356694781854 1.008 > 13 14 H 0.54719868332267 0.04555887192578 0.35356694781854 1.008 > 13 15 H 0.04719868332267 0.04555887192578 0.85356694781854 1.008 > 13 16 H 0.54719868332267 0.04555887192578 0.85356694781854 1.008 > 13 17 H 0.29719868332267 0.45444112807421 0.10356694781854 1.008 > 1 18 H 0.79719868332267 0.45444112807421 0.10356694781854 1.008 > 1 19 H 0.29719868332267 0.45444112807421 0.60356694781854 1.008 > 1 20 H 0.79719868332267 0.45444112807421 0.60356694781854 1.008 > 1 21 H 0.20280131667733 0.45444112807421 0.14643305218146 1.008 > 5 22 H 0.70280131667733 0.45444112807421 0.14643305218146 1.008 > 5 23 H 0.20280131667733 0.45444112807421 0.64643305218146 1.008 > 5 24 H 0.70280131667733 0.45444112807421 0.64643305218146 1.008 > 5 25 H 0.20280131667733 0.54555887192579 0.39643305218146 1.008 > 9 26 H 0.70280131667733 0.54555887192579 0.39643305218146 1.008 > 9 27 H 0.20280131667733 0.54555887192579 0.89643305218146 1.008 > 9 28 H 0.70280131667733 0.54555887192579 0.89643305218146 1.008 > 9 29 H 0.29719868332267 0.54555887192579 0.35356694781854 1.008 > 13 30 H 0.79719868332267 0.54555887192579 0.35356694781854 1.008 > 13 31 H 0.29719868332267 0.54555887192579 0.85356694781854 1.008 > 13 32 H 0.79719868332267 0.54555887192579 0.85356694781854 1.008 > 13 33 O 0.26048678864243 0.19079690922972 0.29916720759848 15.999 > 33 34 O 0.76048678864243 0.19079690922972 0.29916720759848 15.999 > 33 35 O 0.26048678864243 0.19079690922972 0.79916720759848 15.999 > 33 36 O 0.76048678864243 0.19079690922972 0.79916720759848 15.999 > 33 37 O 0.23951321135757 0.19079690922972 0.45083279240152 15.999 > 37 38 O 0.73951321135757 0.19079690922972 0.45083279240152 15.999 > 37 39 O 0.23951321135757 0.19079690922972 0.95083279240152 15.999 > 37 40 O 0.73951321135757 0.19079690922972 0.95083279240152 15.999 > 37 41 O 0.23951321135757 0.80920309077028 0.20083279240152 15.999 > 41 42 O 0.73951321135757 0.80920309077028 0.20083279240152 15.999 > 41 43 O 0.23951321135757 0.80920309077028 0.70083279240152 15.999 > 41 44 O 0.73951321135757 0.80920309077028 0.70083279240152 15.999 > 41 45 O 0.26048678864243 0.80920309077028 0.04916720759848 15.999 > 45 46 O 0.76048678864243 0.80920309077028 0.04916720759848 15.999 > 45 47 O 0.26048678864243 0.80920309077028 0.54916720759848 15.999 > 45 48 O 0.76048678864243 0.80920309077028 0.54916720759848 15.999 > 45 49 O 0.35100079359649 0.97390799137375 0.42111830718098 15.999 > 49 50 O 0.85100079359649 0.97390799137375 0.42111830718098 15.999 > 49 51 O 0.35100079359649 0.97390799137375 0.92111830718098 15.999 > 49 52 O 0.85100079359649 0.97390799137375 0.92111830718098 15.999 > 49 53 O 0.14899920640351 0.97390799137375 0.32888169281902 15.999 > 53 54 O 0.64899920640351 0.97390799137375 0.32888169281902 15.999 > 53 55 O 0.14899920640351 0.97390799137375 0.82888169281902 15.999 > 53 56 O 0.64899920640351 0.97390799137375 0.82888169281902 15.999 > 53 57 O 0.14899920640351 0.02609200862625 0.07888169281902 15.999 > 57 58 O 0.64899920640351 0.02609200862625 0.07888169281902 15.999 > 57 59 O 0.14899920640351 0.02609200862625 0.57888169281902 15.999 > 57 60 O 0.64899920640351 0.02609200862625 0.57888169281902 15.999 > 57 61 O 0.35100079359649 0.02609200862625 0.17111830718098 15.999 > 61 62 O 0.85100079359649 0.02609200862625 0.17111830718098 15.999 > 61 63 O 0.35100079359649 0.02609200862625 0.67111830718098 15.999 > 61 64 O 0.85100079359649 0.02609200862625 0.67111830718098 15.999 > 61 65 O 0.25000000000000 0.62033966467469 0.37500000000000 15.999 > 65 66 O 0.75000000000000 0.62033966467469 0.37500000000000 15.999 > 65 67 O 0.25000000000000 0.62033966467469 0.87500000000000 15.999 > 65 68 O 0.75000000000000 0.62033966467469 0.87500000000000 15.999 > 65 69 O 0.25000000000000 0.37966033532531 0.12500000000000 15.999 > 69 70 O 0.75000000000000 0.37966033532531 0.12500000000000 15.999 > 69 71 O 0.25000000000000 0.37966033532531 0.62500000000000 15.999 > 69 72 O 0.75000000000000 0.37966033532531 0.62500000000000 15.999 > 69 73 O 0.01048678864243 0.69079690922972 0.29916720759848 15.999 > 33 74 O 0.51048678864243 0.69079690922972 0.29916720759848 15.999 > 33 75 O 0.01048678864243 0.69079690922972 0.79916720759848 15.999 > 33 76 O 0.51048678864243 0.69079690922972 0.79916720759848 15.999 > 33 77 O 0.48951321135757 0.69079690922972 0.45083279240152 15.999 > 37 78 O 0.98951321135757 0.69079690922972 0.45083279240152 15.999 > 37 79 O 0.48951321135757 0.69079690922972 0.95083279240152 15.999 > 37 80 O 0.98951321135757 0.69079690922972 0.95083279240152 15.999 > 37 81 O 0.48951321135757 0.30920309077028 0.20083279240152 15.999 > 41 82 O 0.98951321135757 0.30920309077028 0.20083279240152 15.999 > 41 83 O 0.48951321135757 0.30920309077028 0.70083279240152 15.999 > 41 84 O 0.98951321135757 0.30920309077028 0.70083279240152 15.999 > 41 85 O 0.01048678864243 0.30920309077028 0.04916720759848 15.999 > 45 86 O 0.51048678864243 0.30920309077028 0.04916720759848 15.999 > 45 87 O 0.01048678864243 0.30920309077028 0.54916720759848 15.999 > 45 88 O 0.51048678864243 0.30920309077028 0.54916720759848 15.999 > 45 89 O 0.10100079359649 0.47390799137375 0.42111830718098 15.999 > 49 90 O 0.60100079359649 0.47390799137375 0.42111830718098 15.999 > 49 91 O 0.10100079359649 0.47390799137375 0.92111830718098 15.999 > 49 92 O 0.60100079359649 0.47390799137375 0.92111830718098 15.999 > 49 93 O 0.39899920640351 0.47390799137375 0.32888169281902 15.999 > 53 94 O 0.89899920640351 0.47390799137375 0.32888169281902 15.999 > 53 95 O 0.39899920640351 0.47390799137375 0.82888169281902 15.999 > 53 96 O 0.89899920640351 0.47390799137375 0.82888169281902 15.999 > 53 97 O 0.39899920640351 0.52609200862625 0.07888169281902 15.999 > 57 98 O 0.89899920640351 0.52609200862625 0.07888169281902 15.999 > 57 99 O 0.39899920640351 0.52609200862625 0.57888169281902 15.999 > 57 100 O 0.89899920640351 0.52609200862625 0.57888169281902 15.999 > 57 101 O 0.10100079359649 0.52609200862625 0.17111830718098 15.999 > 61 102 O 0.60100079359649 0.52609200862625 0.17111830718098 15.999 > 61 103 O 0.10100079359649 0.52609200862625 0.67111830718098 15.999 > 61 104 O 0.60100079359649 0.52609200862625 0.67111830718098 15.999 > 61 105 O 0.00000000000000 0.12033966467469 0.37500000000000 15.999 > 65 106 O 0.50000000000000 0.12033966467469 0.37500000000000 15.999 > 65 107 O 0.00000000000000 0.12033966467469 0.87500000000000 15.999 > 65 108 O 0.50000000000000 0.12033966467469 0.87500000000000 15.999 > 65 109 O 0.00000000000000 0.87966033532531 0.12500000000000 15.999 > 69 110 O 0.50000000000000 0.87966033532531 0.12500000000000 15.999 > 69 111 O 0.00000000000000 0.87966033532531 0.62500000000000 15.999 > 69 112 O 0.50000000000000 0.87966033532531 0.62500000000000 15.999 > 69 113 Mg 0.37500000000000 0.75000000000000 0.00000000000000 24.305 > 113 114 Mg 0.87500000000000 0.75000000000000 0.00000000000000 24.305 > 113 115 Mg 0.37500000000000 0.75000000000000 0.50000000000000 24.305 > 113 116 Mg 0.87500000000000 0.75000000000000 0.50000000000000 24.305 > 113 117 Mg 0.37500000000000 0.25000000000000 0.25000000000000 24.305 > 117 118 Mg 0.87500000000000 0.25000000000000 0.25000000000000 24.305 > 117 119 Mg 0.37500000000000 0.25000000000000 0.75000000000000 24.305 > 117 120 Mg 0.87500000000000 0.25000000000000 0.75000000000000 24.305 > 117 121 Mg 0.12500000000000 0.25000000000000 0.00000000000000 24.305 > 113 122 Mg 0.62500000000000 0.25000000000000 0.00000000000000 24.305 > 113 123 Mg 0.12500000000000 0.25000000000000 0.50000000000000 24.305 > 113 124 Mg 0.62500000000000 0.25000000000000 0.50000000000000 24.305 > 113 125 Mg 0.12500000000000 0.75000000000000 0.25000000000000 24.305 > 117 126 Mg 0.62500000000000 0.75000000000000 0.25000000000000 24.305 > 117 127 Mg 0.12500000000000 0.75000000000000 0.75000000000000 24.305 > 117 128 Mg 0.62500000000000 0.75000000000000 0.75000000000000 24.305 > 117 129 S 0.25000000000000 0.08504599585640 0.37500000000000 32.065 > 129 130 S 0.75000000000000 0.08504599585640 0.37500000000000 32.065 > 129 131 S 0.25000000000000 0.08504599585640 0.87500000000000 32.065 > 129 132 S 0.75000000000000 0.08504599585640 0.87500000000000 32.065 > 129 133 S 0.25000000000000 0.91495400414360 0.12500000000000 32.065 > 133 134 S 0.75000000000000 0.91495400414360 0.12500000000000 32.065 > 133 135 S 0.25000000000000 0.91495400414360 0.62500000000000 32.065 > 133 136 S 0.75000000000000 0.91495400414360 0.62500000000000 32.065 > 133 137 S 0.00000000000000 0.58504599585640 0.37500000000000 32.065 > 129 138 S 0.50000000000000 0.58504599585640 0.37500000000000 32.065 > 129 139 S 0.00000000000000 0.58504599585640 0.87500000000000 32.065 > 129 140 S 0.50000000000000 0.58504599585640 0.87500000000000 32.065 > 129 141 S 0.00000000000000 0.41495400414360 0.12500000000000 32.065 > 133 142 S 0.50000000000000 0.41495400414360 0.12500000000000 32.065 > 133 143 S 0.00000000000000 0.41495400414360 0.62500000000000 32.065 > 133 144 S 0.50000000000000 0.41495400414360 0.62500000000000 32.065 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6703432 0.0000000 -0.0623641 0.0000000 2.4197882 0.0000000 -0.0623638 0.0000000 2.4148558 -------------------------- Born effective charges -------------------------- 1 H 1.3385018 0.4326036 -0.2080771 0.2372575 0.4108282 -0.0626452 -0.0854032 -0.0220391 0.4086524 2 H 1.3385018 -0.4326036 -0.2080771 -0.2372575 0.4108282 0.0626452 -0.0854032 0.0220391 0.4086524 3 H 1.3385018 0.4326036 -0.2080771 0.2372575 0.4108282 -0.0626452 -0.0854032 -0.0220391 0.4086524 4 H 1.3385018 -0.4326036 -0.2080771 -0.2372575 0.4108282 0.0626452 -0.0854032 0.0220391 0.4086524 5 O -1.4306229 -0.4005461 0.5164381 -0.3914918 -1.2616152 0.4447449 0.5131812 0.4448658 -1.4481302 6 O -1.4306229 0.4005461 0.5164381 0.3914918 -1.2616152 -0.4447449 0.5131812 -0.4448658 -1.4481302 7 O -1.4306229 -0.4005461 0.5164381 -0.3914918 -1.2616152 0.4447449 0.5131812 0.4448658 -1.4481302 8 O -1.4306229 0.4005461 0.5164381 0.3914918 -1.2616152 -0.4447449 0.5131812 -0.4448658 -1.4481302 9 O -1.9305051 0.3845755 -0.2817930 0.3065341 -1.4381046 0.4412038 -0.2252253 0.4408325 -1.1716225 10 O -1.9305051 -0.3845755 -0.2817930 -0.3065341 -1.4381046 -0.4412038 -0.2252253 -0.4408325 -1.1716225 11 O -1.9305051 0.3845755 -0.2817930 0.3065341 -1.4381046 0.4412038 -0.2252253 0.4408325 -1.1716225 12 O -1.9305051 -0.3845755 -0.2817930 -0.3065341 -1.4381046 -0.4412038 -0.2252253 -0.4408325 -1.1716225 13 O -1.8098366 0.0000000 0.1080253 0.0000000 -0.9002142 0.0000000 0.0175489 0.0000000 -1.0936105 14 O -1.8098366 0.0000000 0.1080253 0.0000000 -0.9002142 0.0000000 0.0175489 0.0000000 -1.0936105 15 Mg 2.1297734 -0.2761666 0.0322047 -0.2894781 2.3143822 -0.0888286 -0.3451673 -0.0871931 2.2043183 16 Mg 2.1297734 0.2761666 0.0322047 0.2894781 2.3143822 0.0888286 -0.3451673 0.0871931 2.2043183 17 S 3.7253156 0.0000000 -0.1933660 0.0000000 3.1636152 0.0000000 -0.0774871 0.0000000 3.3114929 18 S 3.7253156 0.0000000 -0.1933660 0.0000000 3.1636152 0.0000000 -0.0774871 0.0000000 3.3114929 ---------------------------------------------------------------------------- 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] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] 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] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Computing fc3[ 129, 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] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000248 (xxx) -0.00000248 (xxx) -0.00000248 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000423 (xz) 0.00000423 (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 2026-01-08 05:45:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:45:05]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.334295330065816 -3.939779890000000 0.000000000000000 b 3.334295330065816 3.939779890000000 0.000000000000000 c -3.298137947913789 0.000000000000000 6.755783467316936 Atomic positions (fractional): 1 H 0.13995623857112 0.04883849471955 0.20713389563708 1.008 2 H 0.95116150528045 0.86004376142888 0.29286610436292 1.008 3 H 0.86004376142888 0.95116150528045 0.79286610436292 1.008 4 H 0.04883849471955 0.13995623857112 0.70713389563708 1.008 5 O 0.33017666805515 0.71177048651459 0.59833441519695 15.999 6 O 0.28822951348541 0.66982333194485 0.90166558480305 15.999 7 O 0.66982333194485 0.28822951348541 0.40166558480305 15.999 8 O 0.71177048651459 0.33017666805515 0.09833441519695 15.999 9 O 0.72809359581923 0.67590957856672 0.84223661436197 15.999 10 O 0.32409042143328 0.27190640418077 0.65776338563803 15.999 11 O 0.27190640418077 0.32409042143328 0.15776338563803 15.999 12 O 0.67590957856672 0.72809359581923 0.34223661436197 15.999 13 O 0.87966033532531 0.12033966467469 0.75000000000000 15.999 14 O 0.12033966467469 0.87966033532531 0.25000000000000 15.999 15 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 16 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 17 S 0.41495400414360 0.58504599585640 0.75000000000000 32.065 18 S 0.58504599585640 0.41495400414360 0.25000000000000 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.337181320263264 0.000000000000000 0.000000000000000 b 0.000000000000000 7.879559780000000 0.000000000000000 c -6.596275895827578 0.000000000000000 13.511566934633873 Atomic positions (fractional): 1 H 0.04719868332267 0.95444112807421 0.10356694781854 1.008 > 1 2 H 0.54719868332267 0.95444112807421 0.10356694781854 1.008 > 1 3 H 0.04719868332267 0.95444112807421 0.60356694781854 1.008 > 1 4 H 0.54719868332267 0.95444112807421 0.60356694781854 1.008 > 1 5 H 0.45280131667733 0.95444112807421 0.14643305218146 1.008 > 5 6 H 0.95280131667733 0.95444112807421 0.14643305218146 1.008 > 5 7 H 0.45280131667733 0.95444112807421 0.64643305218146 1.008 > 5 8 H 0.95280131667733 0.95444112807421 0.64643305218146 1.008 > 5 9 H 0.45280131667733 0.04555887192578 0.39643305218146 1.008 > 9 10 H 0.95280131667733 0.04555887192578 0.39643305218146 1.008 > 9 11 H 0.45280131667733 0.04555887192578 0.89643305218146 1.008 > 9 12 H 0.95280131667733 0.04555887192578 0.89643305218146 1.008 > 9 13 H 0.04719868332267 0.04555887192578 0.35356694781854 1.008 > 13 14 H 0.54719868332267 0.04555887192578 0.35356694781854 1.008 > 13 15 H 0.04719868332267 0.04555887192578 0.85356694781854 1.008 > 13 16 H 0.54719868332267 0.04555887192578 0.85356694781854 1.008 > 13 17 H 0.29719868332267 0.45444112807421 0.10356694781854 1.008 > 1 18 H 0.79719868332267 0.45444112807421 0.10356694781854 1.008 > 1 19 H 0.29719868332267 0.45444112807421 0.60356694781854 1.008 > 1 20 H 0.79719868332267 0.45444112807421 0.60356694781854 1.008 > 1 21 H 0.20280131667733 0.45444112807421 0.14643305218146 1.008 > 5 22 H 0.70280131667733 0.45444112807421 0.14643305218146 1.008 > 5 23 H 0.20280131667733 0.45444112807421 0.64643305218146 1.008 > 5 24 H 0.70280131667733 0.45444112807421 0.64643305218146 1.008 > 5 25 H 0.20280131667733 0.54555887192579 0.39643305218146 1.008 > 9 26 H 0.70280131667733 0.54555887192579 0.39643305218146 1.008 > 9 27 H 0.20280131667733 0.54555887192579 0.89643305218146 1.008 > 9 28 H 0.70280131667733 0.54555887192579 0.89643305218146 1.008 > 9 29 H 0.29719868332267 0.54555887192579 0.35356694781854 1.008 > 13 30 H 0.79719868332267 0.54555887192579 0.35356694781854 1.008 > 13 31 H 0.29719868332267 0.54555887192579 0.85356694781854 1.008 > 13 32 H 0.79719868332267 0.54555887192579 0.85356694781854 1.008 > 13 33 O 0.26048678864243 0.19079690922972 0.29916720759848 15.999 > 33 34 O 0.76048678864243 0.19079690922972 0.29916720759848 15.999 > 33 35 O 0.26048678864243 0.19079690922972 0.79916720759848 15.999 > 33 36 O 0.76048678864243 0.19079690922972 0.79916720759848 15.999 > 33 37 O 0.23951321135757 0.19079690922972 0.45083279240152 15.999 > 37 38 O 0.73951321135757 0.19079690922972 0.45083279240152 15.999 > 37 39 O 0.23951321135757 0.19079690922972 0.95083279240152 15.999 > 37 40 O 0.73951321135757 0.19079690922972 0.95083279240152 15.999 > 37 41 O 0.23951321135757 0.80920309077028 0.20083279240152 15.999 > 41 42 O 0.73951321135757 0.80920309077028 0.20083279240152 15.999 > 41 43 O 0.23951321135757 0.80920309077028 0.70083279240152 15.999 > 41 44 O 0.73951321135757 0.80920309077028 0.70083279240152 15.999 > 41 45 O 0.26048678864243 0.80920309077028 0.04916720759848 15.999 > 45 46 O 0.76048678864243 0.80920309077028 0.04916720759848 15.999 > 45 47 O 0.26048678864243 0.80920309077028 0.54916720759848 15.999 > 45 48 O 0.76048678864243 0.80920309077028 0.54916720759848 15.999 > 45 49 O 0.35100079359649 0.97390799137375 0.42111830718098 15.999 > 49 50 O 0.85100079359649 0.97390799137375 0.42111830718098 15.999 > 49 51 O 0.35100079359649 0.97390799137375 0.92111830718098 15.999 > 49 52 O 0.85100079359649 0.97390799137375 0.92111830718098 15.999 > 49 53 O 0.14899920640351 0.97390799137375 0.32888169281902 15.999 > 53 54 O 0.64899920640351 0.97390799137375 0.32888169281902 15.999 > 53 55 O 0.14899920640351 0.97390799137375 0.82888169281902 15.999 > 53 56 O 0.64899920640351 0.97390799137375 0.82888169281902 15.999 > 53 57 O 0.14899920640351 0.02609200862625 0.07888169281902 15.999 > 57 58 O 0.64899920640351 0.02609200862625 0.07888169281902 15.999 > 57 59 O 0.14899920640351 0.02609200862625 0.57888169281902 15.999 > 57 60 O 0.64899920640351 0.02609200862625 0.57888169281902 15.999 > 57 61 O 0.35100079359649 0.02609200862625 0.17111830718098 15.999 > 61 62 O 0.85100079359649 0.02609200862625 0.17111830718098 15.999 > 61 63 O 0.35100079359649 0.02609200862625 0.67111830718098 15.999 > 61 64 O 0.85100079359649 0.02609200862625 0.67111830718098 15.999 > 61 65 O 0.25000000000000 0.62033966467469 0.37500000000000 15.999 > 65 66 O 0.75000000000000 0.62033966467469 0.37500000000000 15.999 > 65 67 O 0.25000000000000 0.62033966467469 0.87500000000000 15.999 > 65 68 O 0.75000000000000 0.62033966467469 0.87500000000000 15.999 > 65 69 O 0.25000000000000 0.37966033532531 0.12500000000000 15.999 > 69 70 O 0.75000000000000 0.37966033532531 0.12500000000000 15.999 > 69 71 O 0.25000000000000 0.37966033532531 0.62500000000000 15.999 > 69 72 O 0.75000000000000 0.37966033532531 0.62500000000000 15.999 > 69 73 O 0.01048678864243 0.69079690922972 0.29916720759848 15.999 > 33 74 O 0.51048678864243 0.69079690922972 0.29916720759848 15.999 > 33 75 O 0.01048678864243 0.69079690922972 0.79916720759848 15.999 > 33 76 O 0.51048678864243 0.69079690922972 0.79916720759848 15.999 > 33 77 O 0.48951321135757 0.69079690922972 0.45083279240152 15.999 > 37 78 O 0.98951321135757 0.69079690922972 0.45083279240152 15.999 > 37 79 O 0.48951321135757 0.69079690922972 0.95083279240152 15.999 > 37 80 O 0.98951321135757 0.69079690922972 0.95083279240152 15.999 > 37 81 O 0.48951321135757 0.30920309077028 0.20083279240152 15.999 > 41 82 O 0.98951321135757 0.30920309077028 0.20083279240152 15.999 > 41 83 O 0.48951321135757 0.30920309077028 0.70083279240152 15.999 > 41 84 O 0.98951321135757 0.30920309077028 0.70083279240152 15.999 > 41 85 O 0.01048678864243 0.30920309077028 0.04916720759848 15.999 > 45 86 O 0.51048678864243 0.30920309077028 0.04916720759848 15.999 > 45 87 O 0.01048678864243 0.30920309077028 0.54916720759848 15.999 > 45 88 O 0.51048678864243 0.30920309077028 0.54916720759848 15.999 > 45 89 O 0.10100079359649 0.47390799137375 0.42111830718098 15.999 > 49 90 O 0.60100079359649 0.47390799137375 0.42111830718098 15.999 > 49 91 O 0.10100079359649 0.47390799137375 0.92111830718098 15.999 > 49 92 O 0.60100079359649 0.47390799137375 0.92111830718098 15.999 > 49 93 O 0.39899920640351 0.47390799137375 0.32888169281902 15.999 > 53 94 O 0.89899920640351 0.47390799137375 0.32888169281902 15.999 > 53 95 O 0.39899920640351 0.47390799137375 0.82888169281902 15.999 > 53 96 O 0.89899920640351 0.47390799137375 0.82888169281902 15.999 > 53 97 O 0.39899920640351 0.52609200862625 0.07888169281902 15.999 > 57 98 O 0.89899920640351 0.52609200862625 0.07888169281902 15.999 > 57 99 O 0.39899920640351 0.52609200862625 0.57888169281902 15.999 > 57 100 O 0.89899920640351 0.52609200862625 0.57888169281902 15.999 > 57 101 O 0.10100079359649 0.52609200862625 0.17111830718098 15.999 > 61 102 O 0.60100079359649 0.52609200862625 0.17111830718098 15.999 > 61 103 O 0.10100079359649 0.52609200862625 0.67111830718098 15.999 > 61 104 O 0.60100079359649 0.52609200862625 0.67111830718098 15.999 > 61 105 O 0.00000000000000 0.12033966467469 0.37500000000000 15.999 > 65 106 O 0.50000000000000 0.12033966467469 0.37500000000000 15.999 > 65 107 O 0.00000000000000 0.12033966467469 0.87500000000000 15.999 > 65 108 O 0.50000000000000 0.12033966467469 0.87500000000000 15.999 > 65 109 O 0.00000000000000 0.87966033532531 0.12500000000000 15.999 > 69 110 O 0.50000000000000 0.87966033532531 0.12500000000000 15.999 > 69 111 O 0.00000000000000 0.87966033532531 0.62500000000000 15.999 > 69 112 O 0.50000000000000 0.87966033532531 0.62500000000000 15.999 > 69 113 Mg 0.37500000000000 0.75000000000000 0.00000000000000 24.305 > 113 114 Mg 0.87500000000000 0.75000000000000 0.00000000000000 24.305 > 113 115 Mg 0.37500000000000 0.75000000000000 0.50000000000000 24.305 > 113 116 Mg 0.87500000000000 0.75000000000000 0.50000000000000 24.305 > 113 117 Mg 0.37500000000000 0.25000000000000 0.25000000000000 24.305 > 117 118 Mg 0.87500000000000 0.25000000000000 0.25000000000000 24.305 > 117 119 Mg 0.37500000000000 0.25000000000000 0.75000000000000 24.305 > 117 120 Mg 0.87500000000000 0.25000000000000 0.75000000000000 24.305 > 117 121 Mg 0.12500000000000 0.25000000000000 0.00000000000000 24.305 > 113 122 Mg 0.62500000000000 0.25000000000000 0.00000000000000 24.305 > 113 123 Mg 0.12500000000000 0.25000000000000 0.50000000000000 24.305 > 113 124 Mg 0.62500000000000 0.25000000000000 0.50000000000000 24.305 > 113 125 Mg 0.12500000000000 0.75000000000000 0.25000000000000 24.305 > 117 126 Mg 0.62500000000000 0.75000000000000 0.25000000000000 24.305 > 117 127 Mg 0.12500000000000 0.75000000000000 0.75000000000000 24.305 > 117 128 Mg 0.62500000000000 0.75000000000000 0.75000000000000 24.305 > 117 129 S 0.25000000000000 0.08504599585640 0.37500000000000 32.065 > 129 130 S 0.75000000000000 0.08504599585640 0.37500000000000 32.065 > 129 131 S 0.25000000000000 0.08504599585640 0.87500000000000 32.065 > 129 132 S 0.75000000000000 0.08504599585640 0.87500000000000 32.065 > 129 133 S 0.25000000000000 0.91495400414360 0.12500000000000 32.065 > 133 134 S 0.75000000000000 0.91495400414360 0.12500000000000 32.065 > 133 135 S 0.25000000000000 0.91495400414360 0.62500000000000 32.065 > 133 136 S 0.75000000000000 0.91495400414360 0.62500000000000 32.065 > 133 137 S 0.00000000000000 0.58504599585640 0.37500000000000 32.065 > 129 138 S 0.50000000000000 0.58504599585640 0.37500000000000 32.065 > 129 139 S 0.00000000000000 0.58504599585640 0.87500000000000 32.065 > 129 140 S 0.50000000000000 0.58504599585640 0.87500000000000 32.065 > 129 141 S 0.00000000000000 0.41495400414360 0.12500000000000 32.065 > 133 142 S 0.50000000000000 0.41495400414360 0.12500000000000 32.065 > 133 143 S 0.00000000000000 0.41495400414360 0.62500000000000 32.065 > 133 144 S 0.50000000000000 0.41495400414360 0.62500000000000 32.065 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.6703432 0.0000000 -0.0623641 0.0000000 2.4197882 0.0000000 -0.0623638 0.0000000 2.4148558 -------------------------- Born effective charges -------------------------- 1 H 1.3385018 0.4326036 -0.2080771 0.2372575 0.4108282 -0.0626452 -0.0854032 -0.0220391 0.4086524 2 H 1.3385018 -0.4326036 -0.2080771 -0.2372575 0.4108282 0.0626452 -0.0854032 0.0220391 0.4086524 3 H 1.3385018 0.4326036 -0.2080771 0.2372575 0.4108282 -0.0626452 -0.0854032 -0.0220391 0.4086524 4 H 1.3385018 -0.4326036 -0.2080771 -0.2372575 0.4108282 0.0626452 -0.0854032 0.0220391 0.4086524 5 O -1.4306229 -0.4005461 0.5164381 -0.3914918 -1.2616152 0.4447449 0.5131812 0.4448658 -1.4481302 6 O -1.4306229 0.4005461 0.5164381 0.3914918 -1.2616152 -0.4447449 0.5131812 -0.4448658 -1.4481302 7 O -1.4306229 -0.4005461 0.5164381 -0.3914918 -1.2616152 0.4447449 0.5131812 0.4448658 -1.4481302 8 O -1.4306229 0.4005461 0.5164381 0.3914918 -1.2616152 -0.4447449 0.5131812 -0.4448658 -1.4481302 9 O -1.9305051 0.3845755 -0.2817930 0.3065341 -1.4381046 0.4412038 -0.2252253 0.4408325 -1.1716225 10 O -1.9305051 -0.3845755 -0.2817930 -0.3065341 -1.4381046 -0.4412038 -0.2252253 -0.4408325 -1.1716225 11 O -1.9305051 0.3845755 -0.2817930 0.3065341 -1.4381046 0.4412038 -0.2252253 0.4408325 -1.1716225 12 O -1.9305051 -0.3845755 -0.2817930 -0.3065341 -1.4381046 -0.4412038 -0.2252253 -0.4408325 -1.1716225 13 O -1.8098366 0.0000000 0.1080253 0.0000000 -0.9002142 0.0000000 0.0175489 0.0000000 -1.0936105 14 O -1.8098366 0.0000000 0.1080253 0.0000000 -0.9002142 0.0000000 0.0175489 0.0000000 -1.0936105 15 Mg 2.1297734 -0.2761666 0.0322047 -0.2894781 2.3143822 -0.0888286 -0.3451673 -0.0871931 2.2043183 16 Mg 2.1297734 0.2761666 0.0322047 0.2894781 2.3143822 0.0888286 -0.3451673 0.0871931 2.2043183 17 S 3.7253156 0.0000000 -0.1933660 0.0000000 3.1636152 0.0000000 -0.0774871 0.0000000 3.3114929 18 S 3.7253156 0.0000000 -0.1933660 0.0000000 3.1636152 0.0000000 -0.0774871 0.0000000 3.3114929 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000248 (xxx) -0.00000248 (xxx) -0.00000248 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 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: 0.74, Number of G-points: 293, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/196) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.167 ( 0.000 0.000 0.000) 0.000 3.454 ( 0.000 0.000 0.000) 0.000 3.552 ( 0.000 0.000 0.000) 0.000 3.786 ( 0.000 0.000 0.000) 0.000 4.194 ( 0.000 0.000 0.000) 0.000 5.739 ( 0.000 0.000 0.000) 0.000 6.161 ( 0.000 0.000 0.000) 0.000 6.507 ( 0.000 0.000 0.000) 0.000 6.829 ( 0.000 0.000 0.000) 0.000 6.891 ( 0.000 0.000 0.000) 0.000 6.910 ( 0.000 0.000 0.000) 0.000 8.277 ( 0.000 0.000 0.000) 0.000 8.409 ( 0.000 0.000 0.000) 0.000 8.487 ( 0.000 0.000 0.000) 0.000 9.350 ( 0.000 0.000 0.000) 0.000 9.487 ( 0.000 0.000 0.000) 0.000 10.120 ( 0.000 0.000 0.000) 0.000 10.813 ( 0.000 0.000 0.000) 0.000 10.965 ( 0.000 0.000 0.000) 0.000 11.354 ( 0.000 0.000 0.000) 0.000 11.678 ( 0.000 0.000 0.000) 0.000 12.217 ( 0.000 0.000 0.000) 0.000 12.522 ( 0.000 0.000 0.000) 0.000 14.907 ( 0.000 0.000 0.000) 0.000 15.783 ( 0.000 0.000 0.000) 0.000 17.639 ( 0.000 0.000 0.000) 0.000 17.807 ( 0.000 0.000 0.000) 0.000 18.048 ( 0.000 0.000 0.000) 0.000 18.138 ( 0.000 0.000 0.000) 0.000 18.249 ( 0.000 0.000 0.000) 0.000 18.320 ( 0.000 0.000 0.000) 0.000 22.780 ( 0.000 0.000 0.000) 0.000 22.985 ( 0.000 0.000 0.000) 0.000 28.190 ( 0.000 0.000 0.000) 0.000 29.003 ( 0.000 0.000 0.000) 0.000 29.038 ( 0.000 0.000 0.000) 0.000 29.863 ( 0.000 0.000 0.000) 0.000 30.068 ( 0.000 0.000 0.000) 0.000 30.710 ( 0.000 0.000 0.000) 0.000 30.934 ( 0.000 0.000 0.000) 0.000 31.823 ( 0.000 0.000 0.000) 0.000 32.306 ( 0.000 0.000 0.000) 0.000 33.045 ( 0.000 0.000 0.000) 0.000 34.564 ( 0.000 0.000 0.000) 0.000 35.608 ( 0.000 0.000 0.000) 0.000 45.941 ( 0.000 0.000 0.000) 0.000 46.381 ( 0.000 0.000 0.000) 0.000 90.235 ( 0.000 0.000 0.000) 0.000 90.342 ( 0.000 0.000 0.000) 0.000 91.109 ( 0.000 0.000 0.000) 0.000 91.769 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/196) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( 26.829 -16.187 19.576) 36.947 0.833 ( 26.943 -30.051 4.158) 40.574 1.317 ( 61.565 -29.822 -3.200) 68.482 2.384 ( 17.381 -11.189 -2.455) 20.817 3.476 ( 1.311 -0.699 0.691) 1.638 3.611 ( 4.300 -2.374 0.309) 4.922 3.843 ( 3.867 -4.990 4.015) 7.481 4.329 ( 6.353 -10.402 0.803) 12.215 5.897 ( -12.034 10.683 15.481) 22.329 6.166 ( 0.066 3.108 6.091) 6.838 6.471 ( -0.194 5.416 -0.616) 5.454 6.718 ( -7.294 2.833 -3.150) 8.435 6.851 ( 1.315 2.432 -1.605) 3.197 7.068 ( 7.012 -6.739 -4.353) 10.655 8.272 ( -2.797 -0.713 2.167) 3.609 8.479 ( -0.757 -0.602 0.194) 0.986 9.000 ( 22.770 26.291 6.178) 35.325 9.507 ( 6.429 -0.757 -5.685) 8.616 9.851 ( -20.020 -2.234 24.190) 31.479 10.183 ( 3.117 -4.298 -1.069) 5.416 10.871 ( 1.834 8.336 0.883) 8.581 11.204 ( -11.640 1.570 19.435) 22.708 11.469 ( 16.410 11.447 -16.778) 26.111 12.151 ( -8.788 -3.481 -3.704) 10.152 12.315 ( -10.175 -22.731 -19.882) 31.867 12.509 ( -4.869 -2.690 -4.964) 7.455 14.924 ( 2.260 -1.257 -2.516) 3.608 15.718 ( -13.757 -2.807 -0.643) 14.055 17.690 ( 2.826 1.266 -3.795) 4.898 17.910 ( 9.210 -2.911 -0.496) 9.672 18.051 ( -1.325 -1.487 1.945) 2.784 18.140 ( 2.654 1.850 -1.765) 3.686 18.377 ( 6.902 -0.911 1.349) 7.092 19.089 ( 38.540 24.583 -31.360) 55.435 22.783 ( -1.021 -0.001 2.616) 2.808 23.070 ( 13.135 5.997 -26.136) 29.860 28.932 ( 3.907 8.255 2.791) 9.550 29.047 ( 0.753 0.427 1.268) 1.535 29.847 ( -0.300 1.183 -3.818) 4.008 29.986 ( 0.852 15.369 12.937) 20.107 30.295 ( 40.724 67.811 33.376) 85.853 30.707 ( -2.360 -1.977 -0.088) 3.080 30.961 ( 5.114 -0.035 -4.262) 6.657 32.009 ( 10.276 31.745 15.715) 36.882 32.411 ( 10.384 3.231 4.927) 11.939 34.246 ( -64.500 -33.205 73.501) 103.273 34.900 ( 45.403 -7.335 -102.165) 112.039 35.611 ( -1.329 0.698 4.338) 4.591 45.961 ( 1.695 -1.360 -0.314) 2.196 46.449 ( -3.614 -6.879 -1.214) 7.865 90.410 ( 8.417 0.442 1.603) 8.580 91.111 ( -1.069 -1.684 0.091) 1.997 91.350 ( 56.260 52.665 -27.357) 81.775 92.440 ( 46.782 19.333 -66.269) 83.390 ======================= Grid point 2 (3/196) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 23.123 -18.054 17.446) 34.132 1.614 ( 23.326 -27.970 4.393) 36.684 2.483 ( 48.761 -17.575 -0.433) 51.834 2.824 ( 21.269 -17.090 -4.487) 27.651 3.521 ( 4.131 -0.680 2.172) 4.717 3.737 ( 7.633 -1.879 2.377) 8.212 4.143 ( 13.957 -14.236 4.190) 20.372 4.600 ( 7.996 -13.939 -0.272) 16.072 5.636 ( -16.169 5.764 2.856) 17.402 6.146 ( -4.051 7.389 9.837) 12.953 6.361 ( -0.443 7.672 -2.834) 8.191 6.535 ( 0.720 8.401 -10.461) 13.436 6.876 ( -0.609 -5.171 3.368) 6.201 7.224 ( 7.940 -4.387 -3.510) 9.727 8.235 ( -5.843 -1.005 2.675) 6.504 8.484 ( -1.131 -1.176 -0.536) 1.717 9.032 ( 7.774 6.991 -2.424) 10.733 9.565 ( 7.121 5.671 -1.112) 9.171 9.815 ( -6.082 -1.635 16.744) 17.889 10.281 ( 5.882 -3.760 -4.617) 8.370 10.761 ( -3.586 8.028 1.730) 8.961 11.151 ( -4.650 2.842 9.379) 10.848 11.395 ( 1.655 7.758 -9.958) 12.731 12.029 ( -8.174 -1.311 -1.019) 8.341 12.289 ( -6.184 -8.700 -8.607) 13.712 12.406 ( -3.693 2.916 -4.142) 6.269 14.963 ( 3.318 -1.910 -4.185) 5.672 15.517 ( -14.961 -1.091 0.901) 15.028 17.680 ( -1.255 1.384 2.025) 2.755 18.040 ( -0.980 -5.594 0.116) 5.680 18.109 ( 6.898 1.294 -0.855) 7.070 18.149 ( 6.786 3.232 -2.435) 7.901 18.571 ( 12.000 -3.819 3.641) 13.109 19.138 ( 19.605 10.632 -13.701) 26.175 22.785 ( -2.161 0.203 4.625) 5.109 22.975 ( 1.953 3.528 -13.328) 13.924 28.904 ( -0.252 2.433 1.328) 2.783 29.062 ( 0.712 0.527 1.036) 1.363 29.728 ( -6.484 1.303 -8.266) 10.586 29.948 ( 4.088 14.222 17.871) 23.202 30.285 ( 15.698 25.653 10.423) 31.830 30.684 ( -3.971 -1.830 0.434) 4.394 31.003 ( 5.261 -0.321 -7.293) 8.999 31.882 ( 2.717 15.430 5.858) 16.726 32.557 ( 8.470 0.729 2.201) 8.782 34.235 ( -27.567 -13.939 30.587) 43.472 34.951 ( 23.100 -5.940 -46.702) 52.440 35.605 ( -3.346 2.131 8.045) 8.970 46.016 ( 2.771 -2.203 -0.477) 3.572 46.482 ( -1.336 -4.818 -0.199) 5.004 90.590 ( 14.209 1.717 3.199) 14.666 91.122 ( -1.091 -2.466 -0.086) 2.698 91.317 ( 23.841 24.013 -12.521) 36.080 92.398 ( 19.426 8.870 -31.576) 38.119 ======================= Grid point 3 (4/196) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( 15.266 -18.629 12.786) 27.269 2.290 ( 19.863 -21.617 4.597) 29.715 2.927 ( 12.329 2.139 -3.382) 12.962 3.516 ( 24.296 -16.636 5.249) 29.910 3.695 ( 9.660 -5.635 3.734) 11.790 3.935 ( 13.916 -5.250 1.302) 14.931 4.560 ( 12.687 -11.830 -2.916) 17.590 4.948 ( 15.437 -17.145 -1.407) 23.113 5.366 ( -11.994 3.312 2.622) 12.716 5.962 ( -9.458 9.967 2.323) 13.935 6.182 ( -0.379 11.873 -12.013) 16.895 6.480 ( 4.806 4.425 4.313) 7.828 6.993 ( -0.889 -7.726 6.471) 10.117 7.365 ( 7.730 -2.589 -1.806) 8.350 8.167 ( -8.290 -2.649 1.395) 8.814 8.431 ( -3.743 1.446 -3.824) 5.543 9.036 ( 4.207 2.300 -4.061) 6.284 9.575 ( 3.775 4.544 2.054) 6.254 9.925 ( 0.484 -1.617 14.460) 14.558 10.389 ( 8.000 -3.553 -7.029) 11.226 10.607 ( -3.992 8.242 1.580) 9.293 11.141 ( -4.812 1.139 0.003) 4.945 11.184 ( -2.936 8.164 0.451) 8.688 11.926 ( -6.255 -0.532 -3.145) 7.021 12.213 ( -5.584 -2.517 -7.007) 9.307 12.293 ( -2.548 3.219 -1.429) 4.347 15.007 ( 3.787 -1.856 -4.948) 6.501 15.339 ( -12.299 -1.109 3.014) 12.712 17.649 ( -2.641 1.468 3.171) 4.380 18.079 ( -3.073 -3.567 3.061) 5.616 18.121 ( 4.847 2.466 -6.148) 8.208 18.248 ( 8.134 1.157 -0.893) 8.264 18.842 ( 13.250 -3.545 2.805) 14.000 19.198 ( 11.009 5.160 -6.050) 13.580 22.775 ( -3.366 0.921 5.340) 6.380 22.862 ( -0.823 1.879 -8.711) 8.949 28.892 ( -0.677 0.164 2.516) 2.611 29.066 ( 0.261 0.641 -0.154) 0.709 29.545 ( -7.135 1.663 -6.797) 9.993 29.982 ( 6.139 12.874 16.402) 21.736 30.266 ( 5.337 8.858 0.847) 10.377 30.648 ( -3.638 -0.962 1.111) 3.924 31.013 ( 2.971 -0.257 -7.844) 8.392 31.790 ( 1.403 9.095 2.943) 9.661 32.669 ( 5.640 0.040 0.484) 5.660 34.223 ( -13.480 -6.599 14.664) 20.983 35.060 ( 16.529 -7.183 -27.996) 33.296 35.568 ( -5.749 4.033 10.875) 12.946 46.085 ( 2.805 -2.206 -0.438) 3.595 46.523 ( -0.499 -3.690 0.118) 3.726 90.809 ( 14.563 3.350 4.115) 15.500 91.137 ( 3.161 1.712 -2.083) 4.155 91.285 ( 7.474 7.353 -4.516) 11.416 92.339 ( 9.107 4.922 -18.802) 21.463 ======================= Grid point 4 (5/196) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.565 ( 5.113 -14.001 6.071) 16.094 2.795 ( 13.603 -11.442 4.058) 18.233 2.988 ( 5.956 3.710 -2.229) 7.363 3.859 ( 3.874 -1.385 4.279) 5.936 3.922 ( 10.056 -6.543 5.259) 13.100 4.265 ( 9.202 -5.834 -2.128) 11.101 4.754 ( 1.456 -8.592 2.478) 9.060 5.143 ( -3.288 0.205 -0.652) 3.359 5.566 ( 20.631 -8.860 -4.198) 22.842 5.738 ( 1.928 1.556 -3.899) 4.620 5.943 ( -0.827 8.611 -10.596) 13.679 6.483 ( -7.950 6.365 12.397) 16.043 7.103 ( -0.866 -5.033 3.964) 6.465 7.500 ( 6.817 -1.249 1.195) 7.032 8.084 ( -7.067 -3.680 -1.858) 8.181 8.312 ( -3.027 3.081 -3.612) 5.630 9.043 ( 2.354 1.284 -1.461) 3.054 9.598 ( 2.212 1.457 1.023) 2.840 10.055 ( 0.810 -2.262 12.299) 12.531 10.451 ( -5.540 1.391 -2.972) 6.439 10.512 ( 12.211 3.227 -8.048) 14.976 10.869 ( -13.720 4.443 -0.814) 14.444 11.286 ( 8.894 1.337 10.197) 13.596 11.768 ( -9.628 -0.483 -10.053) 13.928 12.130 ( -1.951 0.321 -2.012) 2.821 12.220 ( -2.148 1.725 -0.595) 2.819 15.052 ( 4.303 -1.309 -4.771) 6.557 15.221 ( -8.516 -0.614 4.155) 9.495 17.618 ( -1.840 0.900 2.081) 2.920 18.074 ( -0.611 0.432 -0.460) 0.878 18.133 ( 1.650 -0.401 -1.629) 2.353 18.329 ( 4.248 0.243 -0.441) 4.278 19.069 ( 10.446 -1.883 0.128) 10.615 19.235 ( 2.989 2.198 -1.067) 3.861 22.728 ( -2.937 1.547 0.739) 3.401 22.803 ( -0.591 0.058 -1.793) 1.889 28.920 ( 0.426 -0.976 4.002) 4.141 29.048 ( -0.429 0.838 -2.183) 2.378 29.393 ( -4.667 1.300 -4.155) 6.383 30.034 ( 5.335 9.288 11.752) 15.901 30.235 ( -0.107 0.473 -3.346) 3.381 30.622 ( -1.933 -0.281 1.207) 2.296 30.994 ( 1.056 -0.043 -5.291) 5.395 31.737 ( 0.798 4.367 1.324) 4.633 32.733 ( 2.737 -0.027 -0.098) 2.739 34.214 ( -5.600 -2.658 6.038) 8.653 35.207 ( 13.028 -7.700 -19.351) 24.566 35.489 ( -7.962 5.743 12.834) 16.158 46.141 ( 1.750 -1.364 -0.251) 2.233 46.557 ( -0.141 -2.068 0.133) 2.077 90.975 ( 6.999 1.021 4.239) 8.246 91.124 ( 7.623 8.899 -5.497) 12.943 91.307 ( -1.179 -4.405 1.771) 4.892 92.279 ( 3.522 2.398 -9.814) 10.699 ======================= Grid point 5 (6/196) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.712 ( -0.000 -0.000 -0.000) 0.000 2.981 ( 0.000 -0.000 0.000) 0.000 3.016 ( 0.000 -0.000 0.000) 0.000 3.903 ( 0.000 -0.000 0.000) 0.000 4.123 ( -0.000 -0.000 -0.000) 0.000 4.273 ( 0.000 -0.000 0.000) 0.000 4.876 ( 0.000 -0.000 0.000) 0.000 5.110 ( 0.000 -0.000 0.000) 0.000 5.533 ( 0.000 -0.000 0.000) 0.000 5.834 ( 0.000 -0.000 0.000) 0.000 6.191 ( -0.000 0.000 0.000) 0.000 6.195 ( 0.000 -0.000 -0.000) 0.000 7.146 ( 0.000 -0.000 -0.000) 0.000 7.574 ( 0.000 -0.000 0.000) 0.000 8.046 ( 0.000 -0.000 0.000) 0.000 8.249 ( 0.000 -0.000 0.000) 0.000 9.048 ( 0.000 -0.000 0.000) 0.000 9.608 ( 0.000 -0.000 0.000) 0.000 10.161 ( 0.000 -0.000 0.000) 0.000 10.338 ( 0.000 -0.000 0.000) 0.000 10.589 ( -0.000 -0.000 0.000) 0.000 10.701 ( 0.000 -0.000 -0.000) 0.000 11.504 ( 0.000 -0.000 0.000) 0.000 11.540 ( -0.000 -0.000 -0.000) 0.000 12.110 ( 0.000 -0.000 0.000) 0.000 12.187 ( 0.000 -0.000 0.000) 0.000 15.085 ( -0.000 -0.000 0.000) 0.000 15.167 ( 0.000 -0.000 -0.000) 0.000 17.606 ( 0.000 -0.000 0.000) 0.000 18.063 ( 0.000 -0.000 0.000) 0.000 18.143 ( 0.000 -0.000 0.000) 0.000 18.358 ( 0.000 -0.000 0.000) 0.000 19.192 ( -0.000 0.000 0.000) 0.000 19.210 ( 0.000 -0.000 -0.000) 0.000 22.695 ( 0.000 -0.000 -0.000) 0.000 22.794 ( 0.000 -0.000 0.000) 0.000 28.964 ( 0.000 -0.000 0.000) 0.000 29.013 ( 0.000 -0.000 -0.000) 0.000 29.331 ( 0.000 -0.000 -0.000) 0.000 30.062 ( 0.000 -0.000 0.000) 0.000 30.215 ( 0.000 -0.000 0.000) 0.000 30.615 ( 0.000 -0.000 0.000) 0.000 30.980 ( 0.000 -0.000 0.000) 0.000 31.720 ( 0.000 -0.000 0.000) 0.000 32.753 ( 0.000 -0.000 0.000) 0.000 34.211 ( 0.000 -0.000 0.000) 0.000 35.325 ( 0.000 -0.000 -0.000) 0.000 35.399 ( -0.000 0.000 0.000) 0.000 46.163 ( 0.000 -0.000 0.000) 0.000 46.570 ( 0.000 -0.000 0.000) 0.000 91.063 ( 0.000 0.000 -0.000) 0.000 91.073 ( -0.000 -0.000 0.000) 0.000 91.342 ( 0.000 -0.000 -0.000) 0.000 92.252 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 12 (7/196) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 34.717 0.000 9.531) 36.002 1.303 ( 32.424 0.000 15.685) 36.019 2.142 ( 64.956 0.000 -2.699) 65.012 2.653 ( 26.915 0.000 -2.905) 27.071 3.589 ( 12.904 0.000 0.577) 12.917 3.716 ( 7.893 0.000 4.124) 8.906 3.888 ( 4.591 0.000 4.730) 6.592 4.411 ( 11.319 0.000 -0.162) 11.320 5.720 ( -21.553 -0.000 4.006) 21.922 6.223 ( -5.004 -0.000 12.667) 13.619 6.522 ( 1.407 0.000 -0.916) 1.678 6.562 ( -5.175 -0.000 -5.278) 7.392 6.920 ( 2.964 0.000 -4.699) 5.556 7.102 ( 9.740 0.000 -10.200) 14.103 8.212 ( -8.735 -0.000 4.914) 10.022 8.460 ( -0.955 -0.000 0.852) 1.280 9.174 ( -2.658 -0.000 -7.411) 7.873 9.678 ( 15.041 0.000 -0.017) 15.041 9.828 ( -13.028 -0.000 26.748) 29.752 10.162 ( 5.224 0.000 -7.771) 9.364 10.928 ( -0.085 -0.000 -4.907) 4.907 11.181 ( -6.448 -0.000 9.190) 11.227 11.624 ( -10.284 -0.000 -10.940) 15.015 11.776 ( 3.161 0.000 0.974) 3.308 12.208 ( -0.256 -0.000 -1.382) 1.405 12.450 ( -3.282 -0.000 -2.593) 4.183 14.961 ( 7.035 0.000 -8.591) 11.104 15.495 ( -14.173 -0.000 0.462) 14.180 17.701 ( -2.128 -0.000 4.480) 4.960 17.949 ( -0.552 -0.000 -0.254) 0.608 18.144 ( 10.714 0.000 1.816) 10.867 18.188 ( 4.008 0.000 -2.807) 4.893 18.505 ( 10.614 0.000 1.785) 10.763 19.308 ( 12.529 0.000 -23.883) 26.970 22.786 ( -2.239 -0.000 4.996) 5.475 23.031 ( 2.015 0.000 -19.302) 19.407 28.938 ( -3.396 -0.000 0.484) 3.431 29.063 ( 1.034 0.000 0.193) 1.052 29.744 ( -6.143 -0.000 -8.517) 10.501 30.039 ( -2.643 -0.000 11.387) 11.690 30.615 ( -4.875 -0.000 -5.572) 7.403 30.849 ( -7.197 -0.000 0.015) 7.197 30.976 ( 3.809 0.000 -6.098) 7.190 32.296 ( -4.026 -0.000 6.852) 7.947 33.209 ( 10.335 0.000 -0.277) 10.339 33.480 ( -27.089 -0.000 59.801) 65.650 34.838 ( 30.140 0.000 -61.617) 68.594 35.606 ( -3.729 -0.000 6.766) 7.725 45.988 ( 3.409 0.000 -0.867) 3.517 46.401 ( 1.162 0.000 0.738) 1.376 90.614 ( 15.139 0.000 3.734) 15.593 91.074 ( -2.670 -0.000 0.877) 2.811 91.709 ( -3.294 -0.000 -1.905) 3.805 92.693 ( 37.072 0.000 -86.273) 93.900 ======================= Grid point 13 (8/196) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 29.747 -5.542 10.749) 32.111 1.920 ( 31.095 -8.787 6.011) 32.867 3.014 ( 23.697 2.277 -3.470) 24.058 3.070 ( 42.328 -12.587 6.119) 44.582 3.755 ( 16.948 10.904 1.503) 20.208 3.881 ( 9.477 -0.673 3.626) 10.169 4.194 ( 16.497 -17.242 2.278) 23.971 4.617 ( 12.959 -6.443 -4.164) 15.060 5.435 ( -16.691 1.606 3.556) 17.141 6.143 ( -12.233 3.221 5.855) 13.940 6.445 ( -0.202 7.767 0.035) 7.770 6.565 ( 3.188 0.195 -2.963) 4.357 6.898 ( 2.068 2.418 0.886) 3.303 7.214 ( 8.199 -7.913 -12.144) 16.653 8.087 ( -12.929 -2.422 3.037) 13.500 8.445 ( -1.905 0.287 -0.824) 2.096 9.121 ( 3.851 2.276 -3.845) 5.899 9.761 ( -1.888 8.052 7.443) 11.127 9.886 ( 3.020 -0.374 12.366) 12.735 10.225 ( 3.854 -7.402 -8.725) 12.073 10.840 ( 0.614 7.212 -4.761) 8.664 11.153 ( -3.545 -0.058 2.985) 4.635 11.369 ( -11.930 5.043 4.240) 13.628 11.830 ( -3.795 -5.096 -3.332) 7.174 12.187 ( -1.310 0.093 -1.427) 1.939 12.364 ( -3.560 1.663 -2.825) 4.840 14.998 ( 7.376 0.609 -9.188) 11.798 15.313 ( -11.421 -0.717 2.147) 11.643 17.686 ( -4.505 1.369 7.292) 8.680 17.953 ( -2.436 -4.081 0.948) 4.846 18.206 ( 4.617 2.924 -4.305) 6.957 18.292 ( 8.131 1.162 -0.266) 8.218 18.731 ( 12.446 -3.765 3.691) 13.517 19.300 ( 7.349 2.344 -12.910) 15.039 22.786 ( -3.528 0.123 6.698) 7.571 22.902 ( -2.377 0.943 -11.922) 12.193 28.898 ( -2.478 0.207 2.240) 3.347 29.075 ( 0.432 0.113 -0.227) 0.501 29.572 ( -7.526 0.496 -7.589) 10.699 30.097 ( -0.163 0.912 11.175) 11.213 30.440 ( -8.902 0.985 -11.242) 14.373 30.723 ( -3.093 4.519 1.850) 5.780 30.981 ( 1.787 -1.339 -7.740) 8.056 32.216 ( -3.772 11.769 10.753) 16.382 32.977 ( 12.906 31.439 7.891) 34.889 33.865 ( -11.824 -25.273 20.719) 34.753 34.875 ( 18.269 -5.456 -36.988) 41.613 35.598 ( -5.994 -0.581 9.054) 10.874 46.045 ( 4.439 -0.828 -1.357) 4.715 46.446 ( 1.686 -1.952 1.035) 2.779 90.886 ( 16.348 2.420 5.388) 17.382 91.055 ( -2.429 -3.163 1.964) 4.446 91.578 ( -2.410 7.708 -4.362) 9.179 92.535 ( 17.764 8.138 -47.134) 51.024 ======================= Grid point 14 (9/196) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( 21.578 -5.000 7.747) 23.465 2.514 ( 27.331 -9.854 0.939) 29.068 3.202 ( 15.119 9.120 -2.016) 17.772 3.748 ( 19.438 -8.366 9.656) 23.261 3.883 ( 10.693 6.464 5.021) 13.466 4.098 ( 14.170 -4.802 0.085) 14.962 4.547 ( 6.004 -7.648 -4.010) 10.518 5.023 ( 23.890 -14.445 -5.870) 28.528 5.296 ( -1.736 -2.031 7.415) 7.882 5.922 ( -10.948 6.193 1.352) 12.651 6.252 ( 0.977 14.338 -13.526) 19.735 6.578 ( -6.407 2.016 10.753) 12.678 6.976 ( 1.359 -4.097 8.182) 9.251 7.346 ( 5.088 -10.256 -12.177) 16.714 7.972 ( -7.622 -3.889 0.312) 8.562 8.370 ( -4.572 1.525 -3.010) 5.682 9.150 ( 5.793 4.779 1.288) 7.620 9.684 ( -0.864 5.604 3.537) 6.683 9.983 ( -3.404 -2.165 11.252) 11.953 10.299 ( -0.138 -8.159 -9.158) 12.266 10.737 ( 4.082 8.812 -2.664) 10.071 11.014 ( -11.955 4.992 0.422) 12.963 11.327 ( 5.416 1.792 9.940) 11.460 11.735 ( -8.128 -1.914 -9.452) 12.612 12.147 ( -1.576 0.833 -0.856) 1.978 12.275 ( -2.747 2.118 -1.537) 3.794 15.038 ( 7.192 0.158 -8.120) 10.848 15.207 ( -6.851 -0.438 3.909) 7.900 17.644 ( -5.075 1.434 6.558) 8.416 17.983 ( -3.895 -5.505 2.439) 7.172 18.192 ( 4.527 3.779 -5.867) 8.318 18.367 ( 4.952 1.699 -0.279) 5.242 18.976 ( 8.424 -4.687 3.278) 10.182 19.278 ( 1.642 1.203 -6.418) 6.733 22.758 ( -4.373 0.926 0.039) 4.471 22.797 ( -2.570 -0.498 -0.774) 2.730 28.901 ( -0.532 -0.510 4.222) 4.286 29.066 ( -0.376 0.557 -1.259) 1.427 29.415 ( -5.695 0.440 -5.631) 8.021 30.147 ( -3.968 1.406 3.936) 5.763 30.215 ( -6.559 -2.237 -8.750) 11.162 30.665 ( -0.742 2.398 1.132) 2.754 30.955 ( -0.303 -1.647 -6.609) 6.818 32.084 ( -0.872 15.562 11.701) 19.490 32.900 ( 10.705 17.045 2.488) 20.281 34.071 ( -4.351 -10.565 9.872) 15.100 34.977 ( 12.522 -9.172 -24.169) 28.724 35.565 ( -8.387 0.528 10.932) 13.789 46.113 ( 4.367 -0.800 -1.655) 4.738 46.508 ( 2.228 -1.639 1.251) 3.035 90.977 ( -2.723 -0.271 3.115) 4.146 91.215 ( 10.320 -1.421 4.604) 11.389 91.407 ( -0.053 9.457 -4.212) 10.353 92.368 ( 6.421 4.360 -25.603) 26.753 ======================= Grid point 15 (10/196) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( 15.692 -1.277 2.177) 15.894 2.942 ( 14.901 -3.802 -0.369) 15.383 3.244 ( 13.545 13.305 -3.404) 19.289 3.928 ( 0.987 3.409 5.028) 6.155 4.099 ( 14.850 -0.884 3.329) 15.244 4.264 ( 1.135 -0.876 -6.320) 6.480 4.719 ( 4.371 -8.666 6.524) 11.695 5.164 ( -0.410 2.942 7.807) 8.353 5.695 ( 0.364 5.062 0.532) 5.102 5.777 ( 18.309 -14.160 -7.313) 24.274 5.993 ( 4.210 10.713 -13.923) 18.065 6.399 ( -24.232 4.509 13.359) 28.036 7.119 ( 2.951 -2.489 7.426) 8.370 7.422 ( -0.882 -11.051 -13.407) 17.396 7.995 ( 2.497 -2.945 2.892) 4.825 8.253 ( -4.855 0.173 -2.832) 5.624 9.163 ( 3.002 7.571 5.286) 9.710 9.645 ( 0.448 2.842 -0.789) 2.984 10.043 ( -5.599 -6.716 10.437) 13.616 10.258 ( -7.141 -5.419 -9.979) 13.414 10.711 ( 2.038 7.236 6.104) 9.683 10.798 ( -0.829 5.926 -5.306) 7.997 11.510 ( -4.529 0.371 -7.014) 8.357 11.542 ( 5.521 0.112 5.320) 7.668 12.122 ( 0.060 0.753 0.483) 0.896 12.208 ( -1.768 1.471 -0.730) 2.413 15.087 ( 5.251 0.172 -4.957) 7.223 15.173 ( -0.427 0.395 2.580) 2.644 17.605 ( -3.997 0.228 4.633) 6.123 18.002 ( -5.195 -4.857 3.546) 7.947 18.169 ( 3.956 2.890 -5.870) 7.645 18.396 ( 1.821 1.946 0.267) 2.679 19.127 ( 1.173 -4.202 1.670) 4.671 19.214 ( -4.960 -0.082 -2.489) 5.550 22.687 ( -1.953 -0.566 -3.003) 3.626 22.787 ( -2.318 -0.454 4.135) 4.763 28.949 ( 0.671 -0.863 4.501) 4.632 29.031 ( -0.911 1.034 -2.287) 2.670 29.326 ( -1.821 -0.434 -2.123) 2.830 29.942 ( -13.928 -6.991 -15.352) 21.876 30.229 ( 0.817 0.853 4.234) 4.396 30.648 ( 1.455 1.704 -0.344) 2.268 30.931 ( -1.599 -2.439 -2.255) 3.686 31.974 ( 0.652 14.552 10.753) 18.106 32.869 ( 6.861 11.039 0.951) 13.032 34.178 ( 1.202 -3.400 2.810) 4.572 35.117 ( 8.602 -10.741 -16.675) 21.620 35.491 ( -10.295 2.268 12.007) 15.978 46.164 ( 3.207 0.071 -1.690) 3.625 46.566 ( 2.562 -0.267 1.282) 2.877 90.948 ( -7.678 -3.387 4.144) 9.360 91.180 ( -7.542 2.147 -5.058) 9.331 91.445 ( 12.758 7.880 2.781) 15.251 92.255 ( 0.556 0.090 -10.754) 10.769 ======================= Grid point 16 (11/196) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.844 ( 12.255 5.957 -0.459) 13.634 2.956 ( -6.013 6.759 -5.009) 10.341 3.260 ( 15.880 17.498 -4.837) 24.120 3.893 ( -3.662 3.115 1.922) 5.177 4.102 ( -3.870 6.799 -8.800) 11.775 4.331 ( 4.161 -0.248 5.738) 7.092 4.850 ( 0.300 -1.615 -0.621) 1.757 5.209 ( 1.205 4.106 11.894) 12.640 5.594 ( 3.816 5.157 -1.370) 6.560 5.834 ( 0.272 0.165 -1.275) 1.315 5.938 ( -32.146 5.082 8.776) 33.708 6.263 ( 13.395 -8.823 -9.999) 18.902 7.202 ( 2.216 2.190 3.870) 4.968 7.406 ( -3.967 -8.008 -13.265) 15.995 8.107 ( 3.508 -2.168 5.353) 6.757 8.229 ( 0.875 -2.794 -0.641) 2.997 9.131 ( 0.412 7.469 6.328) 9.798 9.596 ( -1.836 1.337 -2.625) 3.471 10.065 ( -5.965 -1.681 -6.581) 9.040 10.196 ( -7.186 -11.481 5.789) 14.730 10.618 ( -5.326 5.347 6.975) 10.276 10.854 ( 14.695 2.608 -4.396) 15.559 11.266 ( -10.197 -0.092 -11.000) 15.000 11.764 ( 7.892 -0.592 7.963) 11.227 12.139 ( 1.769 1.047 2.823) 3.492 12.200 ( 3.221 0.050 0.975) 3.365 15.098 ( 0.374 2.121 1.862) 2.847 15.236 ( 9.199 0.488 -3.573) 9.880 17.590 ( -2.153 -1.132 2.531) 3.510 18.009 ( -5.263 -4.323 4.523) 8.176 18.151 ( 2.617 1.666 -4.901) 5.801 18.374 ( -1.370 2.700 0.839) 3.142 19.070 ( -12.741 -1.350 1.224) 12.871 19.161 ( -5.295 -3.673 -1.375) 6.590 22.679 ( 0.902 -2.193 -1.938) 3.063 22.796 ( -1.088 -0.467 3.689) 3.875 28.948 ( -1.135 1.138 -2.905) 3.320 29.028 ( 0.296 -0.620 2.640) 2.728 29.350 ( 3.018 -1.943 2.291) 4.258 29.717 ( -16.554 -12.967 -18.049) 27.712 30.239 ( -0.258 0.870 -0.175) 0.924 30.659 ( 3.619 1.694 -1.280) 4.196 30.943 ( -1.980 -2.943 3.252) 4.813 31.890 ( 0.891 11.953 9.300) 15.171 32.832 ( 3.661 8.479 0.850) 9.275 34.250 ( 5.907 0.128 -2.652) 6.476 35.244 ( 1.815 -9.254 -7.291) 11.920 35.384 ( -8.674 2.410 8.363) 12.288 46.178 ( 1.435 1.441 -1.445) 2.495 46.606 ( 2.587 1.657 1.118) 3.270 90.878 ( -13.303 -4.924 3.198) 14.541 91.015 ( -8.558 -0.962 -1.944) 8.828 91.478 ( 5.958 8.800 -2.821) 10.995 92.232 ( -0.995 -1.845 1.478) 2.565 ======================= Grid point 17 (12/196) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( -15.819 16.052 -8.814) 24.199 2.895 ( 10.869 14.428 -6.644) 19.247 3.112 ( 2.294 24.698 0.539) 24.810 3.743 ( -10.762 2.332 -4.424) 11.867 3.885 ( -4.669 9.277 -2.888) 10.780 4.215 ( -12.221 12.853 1.404) 17.791 4.826 ( -4.452 6.927 4.596) 9.430 5.241 ( 3.781 2.676 3.947) 6.086 5.399 ( -17.451 9.258 -2.320) 19.891 5.747 ( 6.088 -4.976 1.113) 7.941 5.923 ( 0.669 -7.535 8.194) 11.152 6.349 ( -3.984 -5.398 -5.629) 8.758 7.194 ( 2.411 6.465 -1.093) 6.986 7.332 ( -4.480 -4.530 -9.797) 11.687 8.209 ( 3.944 0.671 0.872) 4.094 8.324 ( 2.842 -6.394 3.078) 7.644 9.095 ( -0.442 6.379 7.452) 9.819 9.514 ( -5.223 -0.808 -3.693) 6.447 9.936 ( -3.359 -0.918 -10.311) 10.883 10.280 ( -10.171 -10.143 9.084) 16.995 10.565 ( 2.936 2.569 -0.828) 3.988 11.024 ( 3.938 -2.552 -0.888) 4.776 11.112 ( 1.375 -1.456 -2.978) 3.589 11.881 ( 1.451 -2.934 0.820) 3.374 12.193 ( 1.423 -2.739 2.754) 4.137 12.323 ( 10.837 3.890 8.106) 14.081 15.090 ( 1.862 4.265 2.669) 5.364 15.365 ( 12.820 0.930 -3.973) 13.453 17.604 ( -0.637 -2.066 1.123) 2.436 18.023 ( -5.090 -4.599 4.700) 8.316 18.131 ( 1.367 1.213 -3.654) 4.086 18.299 ( -4.141 3.841 1.582) 5.866 18.875 ( -15.939 -1.072 0.633) 15.987 19.064 ( -13.640 -5.063 -0.802) 14.571 22.727 ( 2.551 -2.853 -2.526) 4.585 22.824 ( -0.249 -1.015 4.769) 4.882 28.894 ( -1.701 0.386 -2.911) 3.393 29.042 ( -1.089 -1.202 -1.016) 1.914 29.475 ( -1.016 -7.584 0.382) 7.661 29.525 ( -11.018 -13.002 -13.410) 21.686 30.197 ( -2.036 0.408 -4.255) 4.734 30.695 ( 5.290 1.883 -0.941) 5.693 30.981 ( -2.582 -2.246 6.318) 7.186 31.835 ( 0.881 8.382 7.508) 11.287 32.771 ( 0.996 7.800 0.805) 7.905 34.323 ( 11.336 2.109 -8.284) 14.198 35.199 ( -15.957 2.998 19.190) 25.137 35.394 ( 4.053 -8.388 -12.047) 15.229 46.150 ( -0.236 2.779 -0.977) 2.955 46.617 ( 2.449 3.539 0.875) 4.392 90.719 ( -15.125 -3.613 -0.644) 15.564 90.917 ( -14.438 -7.383 4.387) 16.799 91.390 ( 1.551 8.037 -4.797) 9.487 92.270 ( -1.931 -1.427 7.664) 8.032 ======================= Grid point 18 (13/196) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( -20.114 20.702 -12.200) 31.336 2.522 ( -9.955 38.530 -2.835) 39.896 2.849 ( -5.854 14.717 -2.448) 16.026 3.430 ( -14.327 21.538 -0.297) 25.870 3.643 ( -7.114 7.267 -2.027) 10.370 3.876 ( -5.681 11.711 1.468) 13.099 4.527 ( -15.453 15.589 0.413) 21.954 5.019 ( -4.815 16.816 -0.842) 17.512 5.450 ( 8.723 -8.810 -1.360) 12.472 5.894 ( 1.555 -10.014 -6.895) 12.257 6.128 ( 1.744 -9.815 10.011) 14.128 6.332 ( -3.292 -6.314 1.879) 7.364 7.094 ( 2.060 9.931 -4.260) 11.000 7.260 ( -4.113 -1.886 -3.667) 5.824 8.253 ( 3.304 0.705 0.497) 3.414 8.440 ( -0.974 -4.854 1.417) 5.149 9.017 ( -6.816 5.606 1.977) 9.044 9.452 ( -3.233 -3.575 0.065) 4.820 9.852 ( 2.254 0.152 -10.203) 10.451 10.269 ( -11.156 -4.382 8.838) 14.892 10.636 ( 9.314 -2.294 -6.837) 11.780 11.012 ( -4.023 -6.844 -3.244) 8.576 11.265 ( 4.640 -2.557 6.184) 8.143 11.942 ( 1.282 -5.248 -1.525) 5.613 12.281 ( 1.541 -4.874 1.358) 5.289 12.514 ( 12.638 6.287 13.254) 19.363 15.085 ( 4.751 6.951 1.594) 8.569 15.537 ( 14.426 0.544 -2.469) 14.646 17.632 ( -1.319 -2.397 1.670) 3.205 18.033 ( -6.002 -5.259 1.922) 8.208 18.107 ( -0.265 1.470 -0.646) 1.627 18.189 ( -3.400 5.098 1.523) 6.314 18.637 ( -15.006 0.629 -1.924) 15.142 18.883 ( -22.067 -8.435 1.859) 23.697 22.767 ( 1.918 -1.466 -3.494) 4.247 22.889 ( -0.565 -2.865 6.851) 7.447 28.819 ( -9.400 -4.539 -6.367) 12.227 29.013 ( -2.809 -3.509 -5.767) 7.311 29.357 ( -14.728 -16.359 -13.425) 25.783 29.675 ( 6.818 -2.944 6.863) 10.113 30.111 ( -3.141 0.094 -6.897) 7.579 30.749 ( 5.882 2.413 -0.600) 6.386 30.998 ( -4.343 -0.655 6.554) 7.890 31.817 ( 1.303 4.402 5.306) 7.016 32.671 ( -1.312 8.213 0.165) 8.318 34.421 ( 18.946 3.682 -16.556) 25.428 35.064 ( -19.032 3.021 27.911) 33.917 35.462 ( 1.698 -8.363 -10.841) 13.797 46.092 ( -1.179 3.586 -0.441) 3.800 46.606 ( 2.412 4.770 0.733) 5.395 90.534 ( -13.253 -2.558 -1.263) 13.557 90.794 ( -25.304 -12.355 7.228) 29.072 91.281 ( 1.062 6.721 -3.390) 7.602 92.307 ( -3.658 -0.725 9.514) 10.219 ======================= Grid point 19 (14/196) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( -18.350 25.222 -10.761) 32.995 1.741 ( -25.987 36.662 1.574) 44.966 2.355 ( -7.058 43.553 -7.125) 44.693 2.873 ( -15.315 25.331 6.468) 30.299 3.533 ( 0.496 2.940 -3.478) 4.581 3.747 ( 2.382 9.541 3.731) 10.518 4.096 ( -11.428 14.347 -4.655) 18.924 4.733 ( -2.761 18.938 -0.338) 19.141 5.643 ( 1.599 -9.679 -4.637) 10.851 5.976 ( -0.785 -11.206 -5.355) 12.445 6.316 ( 2.041 -5.971 2.832) 6.916 6.446 ( -0.687 -11.698 4.175) 12.440 6.986 ( 2.773 7.900 -3.386) 9.031 7.209 ( -0.285 2.900 2.025) 3.548 8.286 ( -0.035 0.141 0.794) 0.807 8.454 ( -2.514 -2.172 1.301) 3.568 8.771 ( -14.761 3.167 -6.128) 16.293 9.477 ( -1.823 -2.280 2.008) 3.544 9.883 ( 10.883 0.105 -6.905) 12.889 10.206 ( -8.985 -1.375 5.182) 10.463 10.758 ( 7.556 -2.395 -5.559) 9.682 11.047 ( -1.482 -9.719 -5.012) 11.035 11.351 ( -2.296 -1.407 6.559) 7.090 12.040 ( 1.928 -6.947 -0.671) 7.241 12.373 ( 1.236 -4.706 0.800) 4.931 12.741 ( 13.661 5.221 15.374) 21.218 15.076 ( 7.365 9.664 -0.137) 12.152 15.742 ( 13.597 -0.793 -0.400) 13.626 17.635 ( -6.350 -2.779 4.900) 8.488 17.949 ( -10.555 -1.223 -1.707) 10.762 18.100 ( 1.316 0.491 1.315) 1.924 18.130 ( 2.213 3.873 -0.121) 4.463 18.405 ( -11.698 0.769 -2.664) 12.022 18.648 ( -27.183 -9.973 3.449) 29.160 22.778 ( 0.821 -0.545 -2.286) 2.489 22.954 ( -3.511 -3.282 7.068) 8.547 28.565 ( -27.856 -13.032 -19.286) 36.301 28.992 ( -1.034 -3.082 -3.191) 4.555 29.282 ( -6.799 -7.328 -5.764) 11.539 29.847 ( 3.591 -1.650 8.201) 9.103 30.017 ( -1.302 -0.934 -8.765) 8.911 30.791 ( 4.977 3.626 -0.673) 6.195 30.963 ( -5.489 0.236 4.620) 7.178 31.833 ( 1.431 1.487 2.608) 3.325 32.530 ( -2.500 8.651 -0.741) 9.035 34.547 ( 25.745 4.871 -27.755) 38.169 34.986 ( -20.516 0.247 39.408) 44.429 35.498 ( -0.549 -7.338 -8.406) 11.172 46.026 ( -1.078 3.565 -0.059) 3.725 46.586 ( 2.549 4.724 0.799) 5.427 90.386 ( -8.752 -1.668 -0.530) 8.926 90.549 ( -36.010 -12.288 7.626) 38.805 91.206 ( 1.069 5.154 -1.303) 5.422 92.313 ( -4.886 0.055 8.556) 9.853 ======================= Grid point 20 (15/196) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( 0.000 29.406 0.000) 29.406 1.002 ( 0.000 39.366 0.000) 39.366 1.563 ( 0.000 59.863 0.000) 59.863 2.480 ( 0.000 21.333 0.000) 21.333 3.490 ( 0.000 2.189 0.000) 2.189 3.681 ( 0.000 10.142 0.000) 10.142 3.855 ( 0.000 4.681 0.000) 4.681 4.470 ( 0.000 17.786 0.000) 17.786 5.679 ( -0.000 -4.730 -0.000) 4.730 6.077 ( -0.000 -7.432 -0.000) 7.432 6.403 ( -0.000 -5.642 -0.000) 5.642 6.623 ( -0.000 -13.067 -0.000) 13.067 6.912 ( 0.000 5.410 0.000) 5.410 7.191 ( 0.000 6.019 0.000) 6.019 8.262 ( -0.000 -0.873 -0.000) 0.873 8.448 ( 0.000 2.643 0.000) 2.643 8.528 ( 0.000 3.313 0.000) 3.313 9.480 ( -0.000 -0.652 -0.000) 0.652 10.011 ( -0.000 -1.788 -0.000) 1.788 10.125 ( 0.000 0.454 0.000) 0.454 10.809 ( -0.000 -0.284 -0.000) 0.284 11.141 ( -0.000 -9.208 -0.000) 9.208 11.356 ( 0.000 0.150 0.000) 0.150 12.139 ( -0.000 -5.908 -0.000) 5.908 12.441 ( -0.000 -3.691 -0.000) 3.691 12.957 ( -0.000 -2.280 -0.000) 2.280 15.031 ( 0.000 8.957 0.000) 8.957 15.911 ( -0.000 -2.815 -0.000) 2.815 17.596 ( -0.000 -2.667 -0.000) 2.667 17.830 ( 0.000 1.106 0.000) 1.106 18.092 ( 0.000 3.058 0.000) 3.058 18.167 ( 0.000 2.046 0.000) 2.046 18.234 ( -0.000 -1.050 -0.000) 1.050 18.466 ( -0.000 -1.932 -0.000) 1.932 22.779 ( -0.000 -0.194 -0.000) 0.194 22.967 ( -0.000 -1.327 -0.000) 1.327 28.187 ( -0.000 -0.205 -0.000) 0.205 29.007 ( -0.000 -2.232 -0.000) 2.232 29.246 ( -0.000 -0.680 -0.000) 0.680 29.889 ( 0.000 1.955 0.000) 1.955 30.022 ( -0.000 -4.121 -0.000) 4.121 30.776 ( 0.000 4.454 0.000) 4.454 30.931 ( -0.000 -0.223 -0.000) 0.223 31.838 ( 0.000 1.161 0.000) 1.161 32.397 ( 0.000 7.080 0.000) 7.080 34.607 ( 0.000 3.191 0.000) 3.191 35.019 ( -0.000 -2.550 -0.000) 2.550 35.533 ( -0.000 -5.560 -0.000) 5.560 45.976 ( 0.000 2.722 0.000) 2.722 46.570 ( 0.000 2.807 0.000) 2.807 90.233 ( -0.000 -0.148 -0.000) 0.148 90.339 ( -0.000 -0.219 -0.000) 0.219 91.156 ( 0.000 3.581 0.000) 3.581 92.293 ( 0.000 0.989 0.000) 0.989 ======================= Grid point 23 (16/196) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( 28.010 0.000 -1.771) 28.066 2.317 ( 30.913 0.000 10.261) 32.572 3.332 ( 18.706 0.000 -3.295) 18.994 3.592 ( 26.995 0.000 13.765) 30.302 4.019 ( 6.725 0.000 3.087) 7.400 4.220 ( 13.560 0.000 3.681) 14.050 4.273 ( 21.243 0.000 -4.579) 21.731 4.774 ( 24.260 0.000 -11.285) 26.756 5.298 ( -8.519 -0.000 9.998) 13.136 5.995 ( -12.618 -0.000 2.096) 12.791 6.521 ( -9.930 -0.000 13.766) 16.974 6.574 ( 7.262 0.000 -8.520) 11.195 6.974 ( 3.600 0.000 1.218) 3.801 7.104 ( -0.602 -0.000 -15.969) 15.980 7.921 ( -6.210 -0.000 1.118) 6.309 8.390 ( -5.160 -0.000 -2.302) 5.650 9.212 ( 7.562 0.000 1.141) 7.647 9.790 ( -9.082 -0.000 14.151) 16.814 10.008 ( 0.683 0.000 4.326) 4.379 10.114 ( 0.710 0.000 -13.604) 13.623 10.869 ( 3.860 0.000 -8.081) 8.956 11.076 ( -11.793 -0.000 7.529) 13.991 11.357 ( 1.416 0.000 10.434) 10.529 11.701 ( -5.580 -0.000 -8.553) 10.212 12.160 ( -1.628 -0.000 -0.687) 1.767 12.305 ( -3.039 -0.000 -2.001) 3.638 15.045 ( 7.815 0.000 -10.246) 12.886 15.201 ( -5.870 -0.000 3.745) 6.963 17.677 ( -6.986 -0.000 10.218) 12.378 17.890 ( -2.700 -0.000 0.285) 2.715 18.255 ( 3.753 0.000 -4.488) 5.850 18.389 ( 4.549 0.000 -1.118) 4.685 18.899 ( 8.648 0.000 4.129) 9.583 19.293 ( 1.081 0.000 -8.692) 8.759 22.779 ( -3.971 -0.000 -8.576) 9.450 22.781 ( -4.393 -0.000 7.909) 9.047 28.894 ( -0.993 -0.000 4.248) 4.363 29.074 ( -0.264 -0.000 -0.813) 0.855 29.419 ( -6.071 -0.000 -6.268) 8.726 30.155 ( -14.292 -0.000 -16.629) 21.927 30.182 ( 0.859 0.000 8.997) 9.038 30.697 ( -2.644 -0.000 0.287) 2.659 30.935 ( 0.341 0.000 -7.083) 7.091 32.266 ( -6.032 -0.000 9.566) 11.309 33.557 ( -6.618 -0.000 19.120) 20.233 33.587 ( 14.581 0.000 -1.636) 14.672 34.841 ( 12.281 0.000 -24.894) 27.758 35.561 ( -7.550 -0.000 9.647) 12.250 46.103 ( 5.375 0.000 -2.202) 5.809 46.485 ( 3.362 0.000 1.741) 3.786 90.973 ( -5.916 -0.000 2.481) 6.415 91.196 ( 12.348 0.000 4.413) 13.113 91.540 ( -2.812 -0.000 1.081) 3.013 92.443 ( 6.745 0.000 -37.666) 38.265 ======================= Grid point 24 (17/196) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.669 ( 24.393 1.597 -2.973) 24.625 2.827 ( 21.971 -4.118 5.617) 23.048 3.506 ( 12.884 6.104 -1.951) 14.390 4.007 ( 13.449 -0.555 6.965) 15.156 4.119 ( 6.077 0.532 -0.608) 6.131 4.332 ( 16.428 9.886 0.588) 19.183 4.541 ( 8.859 -5.295 0.307) 10.325 5.169 ( 15.900 -5.597 -3.982) 17.320 5.373 ( 12.109 -7.167 6.778) 15.618 5.830 ( -9.929 1.766 4.008) 10.852 6.330 ( -14.699 8.917 6.044) 18.224 6.535 ( -3.165 9.661 -7.150) 12.428 6.988 ( -2.260 -9.817 -3.318) 10.607 7.112 ( 2.651 -8.286 -4.913) 9.991 7.942 ( 5.250 -1.024 1.636) 5.594 8.255 ( -9.155 0.017 -3.148) 9.681 9.331 ( 6.846 3.934 5.176) 9.441 9.740 ( -4.834 3.271 8.169) 10.040 9.937 ( -6.947 0.592 1.814) 7.205 10.082 ( -4.940 -7.936 -9.020) 12.990 10.868 ( 5.673 3.731 -4.095) 7.929 10.925 ( -10.964 3.138 5.939) 12.858 11.517 ( -7.648 0.113 -11.670) 13.953 11.544 ( 10.294 0.050 9.334) 13.895 12.138 ( 0.156 0.393 0.358) 0.554 12.245 ( -2.618 1.012 -1.248) 3.072 15.092 ( 8.065 0.146 -8.639) 11.820 15.182 ( -0.551 0.233 4.105) 4.148 17.628 ( -7.450 1.281 9.405) 12.066 17.875 ( -3.745 -3.843 1.193) 5.497 18.255 ( 3.237 2.742 -4.718) 6.345 18.424 ( 1.805 0.238 -1.208) 2.185 19.023 ( 0.727 -2.885 3.759) 4.794 19.210 ( -5.689 -0.129 -5.135) 7.665 22.674 ( -2.982 -0.336 -5.500) 6.265 22.776 ( -3.903 -0.306 7.395) 8.367 28.931 ( 0.564 -0.390 5.383) 5.426 29.053 ( -0.885 0.549 -1.586) 1.897 29.314 ( -2.884 -0.360 -3.670) 4.682 29.802 ( -17.251 -3.123 -19.108) 25.932 30.249 ( 1.084 0.490 5.177) 5.312 30.676 ( 0.425 0.454 -0.290) 0.686 30.891 ( -1.061 -0.724 -4.018) 4.218 32.217 ( -6.133 3.942 10.017) 12.389 33.360 ( 6.183 24.331 5.419) 25.683 33.962 ( 5.449 -14.928 2.859) 16.146 34.880 ( 8.270 -5.836 -17.054) 19.832 35.509 ( -9.239 -0.149 9.974) 13.596 46.166 ( 5.186 0.046 -2.736) 5.864 46.560 ( 4.261 -0.177 2.094) 4.751 90.894 ( -8.465 -0.976 3.685) 9.284 91.202 ( -8.524 0.195 -4.154) 9.485 91.644 ( 12.351 5.451 8.973) 16.211 92.252 ( -0.142 -0.258 -24.236) 24.238 ======================= Grid point 25 (18/196) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.950 ( 20.122 2.944 -4.908) 20.920 3.089 ( 5.676 1.858 1.361) 6.126 3.574 ( 11.380 7.706 -2.423) 13.955 4.098 ( 8.796 8.668 -2.172) 12.539 4.208 ( 0.627 -1.131 -0.931) 1.593 4.396 ( 12.862 11.544 -1.718) 17.368 4.771 ( 8.380 -3.237 3.777) 9.745 5.284 ( 0.030 1.814 14.513) 14.626 5.731 ( -5.197 0.969 6.141) 8.103 5.770 ( 8.030 -10.827 -4.641) 14.256 5.981 ( -23.707 5.835 5.850) 25.106 6.264 ( 3.200 9.940 -13.196) 16.828 7.079 ( -1.610 -13.664 -12.522) 18.604 7.249 ( 5.421 -2.042 5.053) 7.687 8.044 ( -0.059 -1.205 3.341) 3.552 8.153 ( -0.330 -3.502 -0.876) 3.625 9.356 ( 1.451 8.738 6.962) 11.266 9.666 ( -1.861 4.125 -4.069) 6.086 9.911 ( -7.991 -8.204 10.033) 15.226 10.000 ( -8.499 -5.305 -7.609) 12.580 10.753 ( -9.466 4.733 7.593) 13.026 10.933 ( 11.645 2.603 -5.620) 13.190 11.282 ( -9.393 1.148 -12.130) 15.384 11.747 ( 5.622 -0.634 5.695) 8.028 12.176 ( -0.178 1.633 1.185) 2.025 12.212 ( 6.431 0.614 2.757) 7.024 15.149 ( 6.138 1.663 -2.573) 6.861 15.242 ( 7.188 -0.016 -0.586) 7.212 17.576 ( -5.886 0.193 7.161) 9.272 17.882 ( -4.636 -4.890 2.574) 7.213 18.224 ( 2.788 3.531 -4.339) 6.250 18.422 ( -0.503 0.755 -0.500) 1.036 19.020 ( -11.295 -2.389 1.733) 11.674 19.066 ( -9.467 -2.971 -2.004) 10.123 22.627 ( -0.551 -1.688 -3.305) 3.752 22.782 ( -2.325 -0.491 5.879) 6.342 28.970 ( -0.623 0.471 1.166) 1.404 29.022 ( -0.397 0.235 0.296) 0.548 29.303 ( 1.321 -1.522 0.430) 2.060 29.453 ( -18.306 -7.307 -19.619) 27.809 30.268 ( 0.277 1.141 -0.233) 1.197 30.692 ( 3.520 0.922 -1.223) 3.839 30.878 ( -1.401 -1.952 1.636) 2.907 32.137 ( -5.849 5.812 9.762) 12.778 33.206 ( 6.574 20.096 2.879) 21.339 34.188 ( 6.626 -6.204 -0.684) 9.103 34.974 ( 4.641 -9.660 -11.815) 15.951 35.430 ( -10.498 0.715 9.865) 14.423 46.209 ( 3.973 0.929 -2.794) 4.945 46.638 ( 4.479 0.879 2.095) 5.023 90.791 ( -12.111 -2.002 4.547) 13.091 91.002 ( -12.390 -0.308 -4.155) 13.072 91.733 ( 7.073 10.578 -1.678) 12.835 92.161 ( -0.001 -4.146 -4.780) 6.328 ======================= Grid point 26 (19/196) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.924 ( -6.809 11.623 -7.829) 15.580 3.164 ( 15.900 7.867 -1.086) 17.773 3.612 ( 7.585 5.208 -5.033) 10.488 3.995 ( -10.476 20.121 0.031) 22.685 4.104 ( 10.041 9.866 -4.681) 14.835 4.459 ( 3.283 5.942 3.043) 7.440 4.858 ( 2.370 0.049 -0.255) 2.384 5.355 ( -5.660 4.505 15.458) 17.067 5.541 ( -24.741 -0.627 4.954) 25.240 5.741 ( 6.658 3.681 -1.332) 7.724 5.823 ( -0.496 -0.045 -1.829) 1.896 6.256 ( 3.299 -1.182 -7.836) 8.584 7.094 ( -3.573 -10.579 -10.711) 15.472 7.352 ( 5.059 2.972 1.493) 6.055 8.112 ( 2.487 -6.830 1.751) 7.476 8.241 ( 3.117 -0.989 2.874) 4.353 9.294 ( 0.001 8.564 6.544) 10.778 9.528 ( -6.161 1.852 -6.412) 9.083 9.872 ( -9.490 -4.848 -5.900) 12.181 10.009 ( -5.311 -9.109 10.462) 14.854 10.637 ( -4.613 2.845 3.014) 6.202 11.048 ( -1.095 3.042 -8.240) 8.852 11.077 ( 5.572 -1.008 -1.677) 5.905 11.808 ( -1.430 -2.569 0.165) 2.945 12.149 ( -1.162 -0.657 0.140) 1.342 12.412 ( 13.919 2.943 8.599) 16.623 15.202 ( 6.773 4.223 1.409) 8.105 15.379 ( 12.586 -0.019 -3.737) 13.129 17.556 ( -3.909 -1.435 5.260) 6.709 17.896 ( -4.423 -4.799 2.909) 7.145 18.191 ( 2.267 3.255 -2.980) 4.962 18.379 ( -2.823 2.089 0.320) 3.526 18.812 ( -18.543 -3.053 0.359) 18.796 18.944 ( -14.347 -4.470 -1.050) 15.064 22.647 ( 1.506 -3.042 -2.018) 3.949 22.804 ( -0.750 -0.638 4.309) 4.420 28.911 ( -4.943 0.831 -3.952) 6.383 29.009 ( -3.649 -1.281 -5.328) 6.584 29.164 ( -12.581 -9.152 -10.992) 19.049 29.420 ( 5.327 -2.909 3.996) 7.267 30.226 ( -1.110 1.500 -4.458) 4.833 30.737 ( 5.438 1.450 -1.085) 5.732 30.919 ( -0.772 -2.492 5.175) 5.796 32.042 ( -5.456 6.118 8.515) 11.820 33.083 ( 5.224 16.544 2.193) 17.487 34.334 ( 9.364 -1.746 -4.480) 10.526 35.071 ( -1.097 -10.301 -5.409) 11.686 35.326 ( -9.459 1.353 7.460) 12.122 46.217 ( 2.258 2.288 -2.341) 3.976 46.696 ( 4.048 2.525 1.768) 5.088 90.643 ( -14.799 -2.115 3.423) 15.336 90.801 ( -14.014 -2.535 -1.550) 14.326 91.614 ( 1.167 9.153 -7.551) 11.923 92.233 ( 1.669 -1.847 5.574) 6.104 ======================= Grid point 27 (20/196) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( -13.201 19.629 -8.765) 25.227 3.240 ( 13.425 13.585 -2.905) 19.319 3.410 ( -23.180 28.679 0.801) 36.884 3.606 ( 1.513 1.144 -5.608) 5.920 4.049 ( 8.768 19.784 -2.830) 21.824 4.287 ( -5.804 17.139 3.048) 18.350 4.856 ( -7.223 6.925 6.015) 11.675 5.218 ( -3.204 -4.981 -5.546) 8.113 5.377 ( -2.902 8.413 4.803) 10.113 5.735 ( -1.888 -1.389 -7.080) 7.458 5.932 ( 3.464 -5.104 9.779) 11.562 6.216 ( -2.880 -2.296 -1.066) 3.834 7.121 ( -0.566 -8.618 -7.106) 11.184 7.333 ( 2.210 8.012 -2.397) 8.650 8.247 ( 2.318 -3.855 -0.033) 4.498 8.319 ( 3.755 -1.446 4.024) 5.691 9.212 ( -7.000 8.247 3.257) 11.297 9.382 ( -2.908 -1.663 -3.844) 5.099 9.780 ( -5.622 -6.279 -5.474) 10.050 10.110 ( -5.371 -6.701 10.248) 13.371 10.597 ( 0.799 -0.942 -2.054) 2.396 10.910 ( -5.244 -0.902 -3.582) 6.414 11.233 ( 8.711 -0.317 1.296) 8.813 11.813 ( -2.095 -4.517 -1.740) 5.275 12.170 ( -0.015 -3.527 0.513) 3.564 12.637 ( 12.242 3.630 9.573) 15.959 15.270 ( 10.136 6.962 1.923) 12.447 15.549 ( 13.456 0.395 -3.456) 13.898 17.566 ( -3.453 -2.546 4.580) 6.275 17.907 ( -4.004 -4.174 0.911) 5.855 18.168 ( 1.639 3.062 -0.581) 3.521 18.293 ( -4.265 2.990 0.624) 5.246 18.580 ( -19.182 -4.670 1.158) 19.776 18.733 ( -18.053 -3.803 -3.037) 18.697 22.703 ( 1.800 -3.298 -1.776) 4.156 22.839 ( 0.089 -1.166 3.617) 3.801 28.678 ( -18.146 -5.536 -14.915) 24.133 28.937 ( -0.984 -1.442 -4.878) 5.181 29.140 ( -1.592 -4.345 0.140) 4.630 29.588 ( 6.200 -3.650 5.519) 9.067 30.141 ( -2.114 1.723 -6.049) 6.635 30.798 ( 5.894 1.611 -0.380) 6.122 30.972 ( -1.021 -1.315 5.071) 5.337 31.952 ( -4.181 4.805 6.391) 9.023 32.965 ( 3.248 14.697 1.730) 15.150 34.467 ( 13.723 -0.144 -8.827) 16.318 35.078 ( -14.076 -3.960 11.702) 18.728 35.265 ( -1.067 -4.124 -4.817) 6.430 46.187 ( 0.708 3.604 -1.512) 3.972 46.719 ( 3.155 4.044 1.250) 5.280 90.472 ( -13.523 -2.015 2.062) 13.827 90.610 ( -16.566 -3.727 0.382) 16.984 91.469 ( 0.458 7.607 -5.399) 9.340 92.306 ( 0.654 0.220 6.082) 6.121 ======================= Grid point 28 (21/196) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( -11.949 25.393 -6.421) 28.789 2.636 ( -23.749 33.196 0.934) 40.828 3.195 ( 12.005 20.113 -4.689) 23.888 3.565 ( 2.207 5.710 -5.611) 8.304 3.689 ( -10.997 31.271 4.219) 33.415 4.104 ( 7.728 17.272 3.259) 19.201 4.530 ( -11.836 18.975 -1.548) 22.417 5.186 ( -0.195 14.136 0.314) 14.141 5.362 ( -0.402 -11.686 -1.070) 11.742 5.693 ( -3.775 -9.055 -4.758) 10.903 6.126 ( 2.646 -8.020 6.446) 10.624 6.248 ( 0.247 -4.338 -0.085) 4.346 7.180 ( 2.078 -2.659 -3.596) 4.931 7.215 ( 0.040 7.327 -0.943) 7.387 8.276 ( -1.908 -0.945 -0.392) 2.165 8.431 ( 5.761 0.389 4.557) 7.356 8.922 ( -14.005 6.863 -5.147) 16.424 9.416 ( 1.245 -2.037 1.656) 2.905 9.801 ( 1.034 -7.745 -3.886) 8.726 10.158 ( -4.406 -1.903 7.700) 9.073 10.660 ( 5.658 -6.089 -5.891) 10.188 10.851 ( -5.564 -3.313 0.466) 6.492 11.337 ( 3.238 0.034 1.828) 3.719 11.855 ( -0.302 -6.945 -1.270) 7.066 12.236 ( 0.462 -5.423 0.461) 5.462 12.821 ( 8.186 2.121 8.323) 11.865 15.342 ( 11.232 10.145 1.153) 15.179 15.711 ( 10.021 -1.015 -1.830) 10.237 17.563 ( -6.846 -2.731 4.976) 8.893 17.885 ( -3.966 -2.588 -2.711) 5.457 18.150 ( 0.602 2.637 1.824) 3.262 18.218 ( 0.078 2.575 -0.716) 2.673 18.376 ( -16.337 -3.588 1.601) 16.803 18.497 ( -13.622 -2.644 -3.390) 14.284 22.746 ( 0.778 -2.121 -1.493) 2.708 22.886 ( -0.126 -2.076 2.901) 3.569 28.365 ( -16.660 -4.290 -13.065) 21.602 28.926 ( -0.178 -1.815 -2.115) 2.793 29.181 ( 0.133 -2.942 0.453) 2.980 29.763 ( 4.501 -4.392 5.431) 8.309 30.039 ( -2.089 2.069 -5.920) 6.609 30.861 ( 5.632 1.712 -0.671) 5.925 30.977 ( -3.313 0.869 3.715) 5.053 31.897 ( -1.630 2.666 3.488) 4.683 32.824 ( 1.064 14.154 0.787) 14.216 34.625 ( 19.586 0.921 -15.850) 25.212 34.967 ( -20.026 -1.394 22.516) 30.165 35.295 ( 0.244 -7.370 -7.338) 10.402 46.131 ( -0.135 4.401 -0.610) 4.445 46.708 ( 1.927 4.775 0.682) 5.194 90.328 ( -11.468 -2.034 2.229) 11.858 90.415 ( -12.492 -1.682 -0.253) 12.607 91.360 ( 0.611 6.578 -2.279) 6.988 92.335 ( -0.352 1.263 4.009) 4.218 ======================= Grid point 29 (22/196) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 0.000 28.944 0.000) 28.944 1.983 ( 0.000 37.383 0.000) 37.383 2.989 ( 0.000 51.319 0.000) 51.319 3.054 ( 0.000 20.754 0.000) 20.754 3.545 ( 0.000 1.864 0.000) 1.864 4.028 ( 0.000 16.123 0.000) 16.123 4.131 ( 0.000 17.034 0.000) 17.034 4.963 ( 0.000 19.215 0.000) 19.215 5.493 ( -0.000 -10.195 -0.000) 10.195 5.796 ( -0.000 -12.679 -0.000) 12.679 6.292 ( -0.000 -3.404 -0.000) 3.404 6.302 ( -0.000 -11.476 -0.000) 11.476 7.084 ( 0.000 8.102 0.000) 8.102 7.251 ( -0.000 -1.463 -0.000) 1.463 8.247 ( -0.000 -0.153 -0.000) 0.153 8.520 ( 0.000 2.636 0.000) 2.636 8.652 ( 0.000 6.163 0.000) 6.163 9.451 ( -0.000 -1.494 -0.000) 1.494 9.911 ( -0.000 -6.953 -0.000) 6.953 10.146 ( 0.000 1.112 0.000) 1.112 10.801 ( -0.000 -0.207 -0.000) 0.207 10.841 ( -0.000 -12.906 -0.000) 12.906 11.362 ( 0.000 0.373 0.000) 0.373 11.950 ( -0.000 -8.163 -0.000) 8.163 12.316 ( -0.000 -5.793 -0.000) 5.793 12.919 ( -0.000 -0.499 -0.000) 0.499 15.306 ( 0.000 11.707 0.000) 11.707 15.826 ( -0.000 -3.453 -0.000) 3.453 17.531 ( -0.000 -2.205 -0.000) 2.205 17.843 ( -0.000 -0.075 -0.000) 0.075 18.177 ( 0.000 2.414 0.000) 2.414 18.205 ( -0.000 -0.332 -0.000) 0.332 18.220 ( 0.000 1.657 0.000) 1.657 18.404 ( -0.000 -2.664 -0.000) 2.664 22.764 ( -0.000 -1.092 -0.000) 1.092 22.922 ( -0.000 -2.091 -0.000) 2.091 28.181 ( -0.000 -0.225 -0.000) 0.225 28.944 ( -0.000 -2.356 -0.000) 2.356 29.214 ( -0.000 -1.886 -0.000) 1.886 29.895 ( -0.000 -5.505 -0.000) 5.505 29.954 ( 0.000 3.008 0.000) 3.008 30.897 ( 0.000 4.567 0.000) 4.567 30.923 ( -0.000 -0.406 -0.000) 0.406 31.876 ( 0.000 1.629 0.000) 1.629 32.657 ( 0.000 13.048 0.000) 13.048 34.713 ( 0.000 4.792 0.000) 4.792 34.920 ( -0.000 -5.310 -0.000) 5.310 35.357 ( -0.000 -7.485 -0.000) 7.485 46.070 ( 0.000 4.391 0.000) 4.391 46.667 ( 0.000 4.521 0.000) 4.521 90.230 ( -0.000 -0.050 -0.000) 0.050 90.333 ( -0.000 -0.266 -0.000) 0.266 91.279 ( 0.000 5.848 0.000) 5.848 92.327 ( 0.000 1.598 0.000) 1.598 ======================= Grid point 34 (23/196) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.990 ( 22.512 0.000 -7.935) 23.869 3.091 ( 8.772 0.000 6.412) 10.866 3.693 ( 7.391 0.000 -0.317) 7.398 4.159 ( 5.469 0.000 -1.484) 5.667 4.199 ( 9.860 0.000 -7.909) 12.640 4.645 ( 13.561 0.000 5.420) 14.604 4.755 ( 16.128 0.000 3.073) 16.418 5.278 ( 3.972 0.000 3.176) 5.086 5.562 ( 15.138 0.000 0.288) 15.141 5.735 ( -13.040 -0.000 12.119) 17.802 6.059 ( -29.880 -0.000 12.039) 32.214 6.600 ( -6.469 -0.000 -22.395) 23.310 6.722 ( 13.117 0.000 -16.365) 20.973 7.213 ( 5.330 0.000 12.325) 13.428 8.061 ( 7.604 0.000 3.403) 8.331 8.074 ( -10.150 -0.000 -2.675) 10.496 9.488 ( 3.693 0.000 5.693) 6.786 9.756 ( -6.181 -0.000 14.307) 15.585 9.825 ( -4.104 -0.000 -15.958) 16.477 9.860 ( -10.387 -0.000 0.988) 10.434 10.821 ( -12.212 -0.000 8.718) 15.004 10.966 ( 9.515 0.000 -6.085) 11.295 11.301 ( -8.134 -0.000 -12.382) 14.815 11.738 ( 4.599 0.000 4.850) 6.684 12.202 ( -2.748 -0.000 -1.231) 3.011 12.220 ( 9.670 0.000 4.810) 10.800 15.172 ( 10.529 0.000 -7.111) 12.705 15.240 ( 4.048 0.000 3.364) 5.264 17.587 ( -8.680 -0.000 10.633) 13.727 17.808 ( -2.475 -0.000 0.453) 2.516 18.284 ( 2.359 0.000 -3.630) 4.329 18.422 ( -0.295 -0.000 -1.872) 1.896 18.979 ( -7.751 -0.000 3.694) 8.586 19.030 ( -13.615 -0.000 -3.754) 14.123 22.604 ( -1.062 -0.000 -3.879) 4.022 22.775 ( -2.782 -0.000 6.829) 7.374 28.974 ( 0.249 0.000 4.169) 4.176 29.029 ( -1.146 -0.000 -1.837) 2.165 29.284 ( 1.481 0.000 0.244) 1.501 29.358 ( -19.112 -0.000 -20.501) 28.028 30.284 ( 0.437 0.000 -0.102) 0.449 30.704 ( 3.623 0.000 -0.546) 3.664 30.852 ( -1.415 -0.000 0.389) 1.468 32.202 ( -7.640 -0.000 8.936) 11.757 33.621 ( -1.749 -0.000 6.229) 6.470 33.981 ( 13.345 0.000 -3.078) 13.695 34.842 ( 5.276 0.000 -11.057) 12.252 35.435 ( -9.598 -0.000 8.812) 13.030 46.222 ( 4.933 0.000 -3.305) 5.937 46.649 ( 5.211 0.000 2.465) 5.764 90.767 ( -11.665 -0.000 4.639) 12.554 90.998 ( -13.296 -0.000 -4.541) 14.050 91.942 ( 10.522 0.000 11.861) 15.855 92.042 ( -3.686 -0.000 -20.299) 20.631 ======================= Grid point 35 (24/196) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.138 ( 0.543 4.712 -3.371) 5.819 3.237 ( 13.534 -0.375 -1.727) 13.649 3.726 ( 2.234 3.696 -1.473) 4.563 4.185 ( 4.424 3.972 -6.815) 9.044 4.328 ( 11.217 -2.317 -3.666) 12.026 4.739 ( 4.045 15.787 4.259) 16.844 4.932 ( 7.087 2.285 0.346) 7.454 5.367 ( -3.516 -5.054 11.536) 13.076 5.507 ( -21.607 4.155 13.439) 25.782 5.772 ( 3.437 -4.063 0.650) 5.361 5.848 ( -1.742 0.907 0.308) 1.988 6.327 ( 1.957 5.845 -18.594) 19.589 6.825 ( 2.443 -8.648 -13.615) 16.313 7.384 ( 4.726 0.023 10.567) 11.576 7.980 ( -0.193 -2.792 -1.404) 3.131 8.206 ( 5.937 -1.197 4.847) 7.758 9.495 ( -1.529 5.800 3.939) 7.176 9.599 ( -7.283 3.594 -10.217) 13.051 9.713 ( -12.668 -5.385 -0.426) 13.772 9.848 ( -1.747 -4.661 9.260) 10.513 10.696 ( -9.680 1.477 5.805) 11.383 11.051 ( -0.954 -0.502 -4.114) 4.253 11.130 ( 4.675 2.017 -8.228) 9.676 11.759 ( -2.901 -1.119 -0.111) 3.111 12.148 ( -2.668 0.252 -1.144) 2.914 12.465 ( 15.143 1.114 7.505) 16.937 15.294 ( 11.291 2.829 -1.296) 11.712 15.361 ( 10.409 -1.343 -1.133) 10.556 17.537 ( -7.167 -0.175 8.965) 11.479 17.803 ( -1.196 -2.132 1.398) 2.816 18.274 ( 1.996 2.616 -2.753) 4.290 18.398 ( -1.860 -0.422 -1.289) 2.302 18.754 ( -20.155 -1.128 -2.435) 20.333 18.850 ( -14.528 -2.381 2.282) 14.898 22.589 ( 0.942 -1.287 -2.304) 2.803 22.792 ( -1.107 -0.280 4.954) 5.084 28.925 ( -15.068 0.033 -14.100) 20.636 28.988 ( -3.239 -0.012 -5.942) 6.767 29.020 ( -1.915 -2.760 0.497) 3.396 29.362 ( 5.014 -1.328 4.117) 6.622 30.257 ( -0.898 0.747 -4.605) 4.751 30.771 ( 6.259 1.120 -0.675) 6.394 30.863 ( -0.625 -1.620 4.418) 4.747 32.132 ( -8.439 1.444 7.829) 11.602 33.526 ( 1.463 14.817 2.918) 15.172 34.204 ( 9.615 -7.511 -3.073) 12.582 34.866 ( 2.608 -4.385 -7.292) 8.900 35.350 ( -9.423 0.414 7.621) 12.126 46.259 ( 3.765 0.883 -3.163) 4.996 46.740 ( 5.025 0.916 2.312) 5.607 90.612 ( -14.058 -0.513 4.746) 14.846 90.763 ( -13.973 -0.666 -3.609) 14.447 91.817 ( -2.390 5.542 -12.737) 14.095 92.173 ( 5.548 -2.368 8.635) 10.533 ======================= Grid point 36 (25/196) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.931 ( -6.907 13.266 -6.340) 16.245 3.384 ( 4.837 -0.623 0.899) 4.959 3.679 ( 1.605 4.517 -3.540) 5.959 3.994 ( -10.731 17.643 -3.209) 20.898 4.471 ( 9.284 6.500 0.808) 11.362 4.584 ( -0.661 4.952 1.428) 5.196 4.917 ( 1.109 5.613 -2.097) 6.094 5.252 ( -4.958 5.645 -0.442) 7.526 5.485 ( -4.165 2.142 14.692) 15.420 5.779 ( -1.168 1.840 -7.980) 8.272 5.869 ( 3.569 -0.182 5.848) 6.854 6.217 ( -1.380 1.169 -7.596) 7.808 6.861 ( 0.018 -10.333 -8.367) 13.295 7.480 ( 3.560 3.471 3.449) 6.052 8.103 ( 7.505 -5.359 -0.480) 9.235 8.330 ( 5.003 0.512 5.668) 7.578 9.361 ( -11.362 1.840 -8.639) 14.392 9.416 ( -0.941 5.486 2.841) 6.249 9.577 ( -13.604 -7.848 -2.693) 15.935 9.975 ( 0.937 -4.090 10.247) 11.073 10.591 ( -6.317 0.258 1.787) 6.570 10.918 ( -5.526 0.671 -4.661) 7.260 11.243 ( 10.191 0.899 -1.057) 10.285 11.720 ( -3.877 -2.700 -1.522) 4.964 12.111 ( -1.880 -1.211 -0.724) 2.351 12.705 ( 11.945 1.820 6.438) 13.690 15.417 ( 11.357 4.377 1.500) 12.264 15.554 ( 14.523 -0.149 -2.493) 14.736 17.513 ( -5.283 -1.468 6.735) 8.685 17.834 ( 0.442 -1.563 1.037) 1.927 18.249 ( 1.692 3.112 -1.242) 3.754 18.342 ( -5.421 0.938 -0.508) 5.525 18.456 ( -20.194 -4.353 -1.205) 20.693 18.651 ( -16.746 -2.758 0.001) 16.971 22.623 ( 1.750 -2.567 -1.310) 3.372 22.819 ( -0.003 -0.540 3.095) 3.142 28.573 ( -16.258 -2.628 -15.606) 22.689 28.936 ( -0.638 1.016 -2.487) 2.761 29.053 ( -0.143 -2.883 1.271) 3.154 29.505 ( 5.605 -2.580 5.010) 7.948 30.183 ( -1.793 1.351 -5.821) 6.239 30.838 ( 4.595 1.605 1.140) 4.999 30.933 ( 2.497 -1.766 3.266) 4.475 32.035 ( -8.006 1.843 6.035) 10.194 33.375 ( 2.538 16.112 1.945) 16.427 34.396 ( 8.894 -5.675 -4.408) 11.434 34.907 ( -1.642 -6.132 -3.196) 7.107 35.258 ( -7.644 1.074 5.458) 9.454 46.263 ( 2.183 2.237 -2.345) 3.908 46.803 ( 3.876 2.366 1.717) 4.855 90.440 ( -13.199 -0.586 3.578) 13.688 90.553 ( -12.715 -1.217 -2.129) 12.949 91.642 ( -1.261 5.487 -8.088) 9.855 92.307 ( 2.836 -0.201 6.634) 7.217 ======================= Grid point 37 (26/196) ======================= q-point: (-0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.551 ( -7.665 20.730 -4.580) 22.571 3.315 ( -15.262 12.498 1.365) 19.774 3.554 ( 2.296 17.440 -1.350) 17.642 3.629 ( -0.895 3.195 -2.079) 3.915 4.441 ( 6.413 19.991 -6.580) 22.001 4.505 ( 1.997 11.927 5.965) 13.484 4.920 ( 3.152 -0.631 2.007) 3.790 5.126 ( 1.432 9.251 -6.600) 11.454 5.441 ( -5.733 3.371 9.596) 11.675 5.604 ( -8.234 3.253 -6.430) 10.942 5.987 ( 2.945 -2.982 4.240) 5.962 6.170 ( -0.098 -2.063 -1.280) 2.430 6.981 ( 2.706 -10.805 -3.713) 11.741 7.441 ( 0.224 8.171 -0.522) 8.191 8.241 ( 3.766 -1.718 -1.074) 4.276 8.454 ( 7.654 1.120 6.404) 10.042 9.069 ( -14.201 4.147 -6.691) 16.236 9.399 ( 0.969 0.820 2.432) 2.744 9.518 ( -7.439 -12.258 -2.773) 14.604 10.108 ( 1.747 -2.198 7.915) 8.398 10.536 ( -2.939 -2.995 -1.734) 4.540 10.829 ( -2.606 0.240 -1.742) 3.143 11.350 ( 5.418 0.899 0.206) 5.496 11.707 ( -2.193 -4.570 -1.285) 5.229 12.119 ( -0.626 -3.584 -0.166) 3.642 12.865 ( 6.571 1.333 4.418) 8.030 15.540 ( 10.491 4.550 1.302) 11.510 15.721 ( 10.316 2.372 -1.362) 10.672 17.502 ( -5.138 -1.971 4.484) 7.098 17.850 ( 0.353 0.126 -1.777) 1.817 18.179 ( -9.826 -2.295 1.450) 10.195 18.261 ( 1.863 1.490 -1.043) 2.604 18.288 ( -9.836 -1.499 1.301) 10.034 18.452 ( -11.239 -1.674 -2.372) 11.608 22.675 ( 1.099 -3.026 -0.778) 3.312 22.849 ( 0.283 -0.979 1.672) 1.958 28.297 ( -10.909 -1.536 -9.855) 14.782 28.906 ( -0.294 0.225 -1.498) 1.543 29.103 ( 0.416 -3.204 0.887) 3.351 29.653 ( 3.880 -3.866 3.831) 6.684 30.095 ( -1.659 2.039 -4.408) 5.132 30.886 ( 2.502 0.579 1.388) 2.920 30.999 ( 2.222 0.630 1.295) 2.648 31.949 ( -4.856 1.350 3.364) 6.060 33.218 ( 1.815 16.011 1.198) 16.158 34.569 ( 10.442 -5.431 -6.145) 13.277 34.901 ( -8.408 -3.650 3.927) 9.972 35.192 ( -2.952 -0.487 0.883) 3.119 46.235 ( 0.771 3.557 -1.137) 3.814 46.818 ( 2.092 3.707 0.875) 4.345 90.299 ( -9.025 -0.466 2.215) 9.305 90.391 ( -8.079 -0.538 -1.251) 8.193 91.520 ( -0.202 5.596 -3.571) 6.641 92.366 ( 1.014 1.030 3.544) 3.828 ======================= Grid point 38 (27/196) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( 0.000 25.314 0.000) 25.314 2.858 ( 0.000 30.193 0.000) 30.193 3.449 ( 0.000 10.315 0.000) 10.315 3.584 ( 0.000 1.866 0.000) 1.866 4.088 ( 0.000 33.811 0.000) 33.811 4.425 ( 0.000 12.984 0.000) 12.984 4.719 ( 0.000 28.925 0.000) 28.925 5.164 ( -0.000 -14.655 -0.000) 14.655 5.363 ( 0.000 11.040 0.000) 11.040 5.531 ( -0.000 -7.410 -0.000) 7.410 6.077 ( -0.000 -5.634 -0.000) 5.634 6.209 ( -0.000 -3.282 -0.000) 3.282 7.121 ( -0.000 -8.545 -0.000) 8.545 7.315 ( 0.000 9.735 0.000) 9.735 8.255 ( 0.000 0.760 0.000) 0.760 8.569 ( 0.000 1.110 0.000) 1.110 8.817 ( 0.000 6.293 0.000) 6.293 9.420 ( -0.000 -0.563 -0.000) 0.563 9.632 ( -0.000 -14.420 -0.000) 14.420 10.166 ( 0.000 0.124 0.000) 0.124 10.573 ( -0.000 -7.336 -0.000) 7.336 10.801 ( 0.000 0.137 0.000) 0.137 11.378 ( 0.000 0.949 0.000) 0.949 11.758 ( -0.000 -6.518 -0.000) 6.518 12.172 ( -0.000 -5.112 -0.000) 5.112 12.923 ( 0.000 0.560 0.000) 0.560 15.571 ( 0.000 7.575 0.000) 7.575 15.770 ( 0.000 0.339 0.000) 0.339 17.486 ( -0.000 -1.397 -0.000) 1.397 17.837 ( -0.000 -0.063 -0.000) 0.063 18.144 ( -0.000 -2.598 -0.000) 2.598 18.227 ( -0.000 -1.304 -0.000) 1.304 18.270 ( 0.000 2.815 0.000) 2.815 18.351 ( -0.000 -1.228 -0.000) 1.228 22.716 ( -0.000 -2.632 -0.000) 2.632 22.874 ( -0.000 -1.520 -0.000) 1.520 28.176 ( -0.000 -0.117 -0.000) 0.117 28.901 ( -0.000 -0.797 -0.000) 0.797 29.151 ( -0.000 -3.027 -0.000) 3.027 29.758 ( -0.000 -5.014 -0.000) 5.014 30.031 ( 0.000 2.814 0.000) 2.814 30.913 ( -0.000 -0.322 -0.000) 0.322 30.993 ( 0.000 2.878 0.000) 2.878 31.912 ( 0.000 1.056 0.000) 1.056 33.033 ( 0.000 15.961 0.000) 15.961 34.749 ( -0.000 -8.090 -0.000) 8.090 34.818 ( 0.000 2.659 0.000) 2.659 35.201 ( -0.000 -3.810 -0.000) 3.810 46.185 ( 0.000 4.378 0.000) 4.378 46.785 ( 0.000 4.490 0.000) 4.490 90.232 ( 0.000 0.187 0.000) 0.187 90.327 ( -0.000 -0.146 -0.000) 0.146 91.434 ( 0.000 5.963 0.000) 5.963 92.368 ( 0.000 1.569 0.000) 1.569 ======================= Grid point 45 (28/196) ======================= q-point: ( 0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.107 ( -5.506 -0.000 -2.548) 6.067 3.368 ( 5.637 0.000 -1.959) 5.967 3.735 ( -1.693 -0.000 -1.268) 2.115 4.326 ( 13.312 0.000 -6.927) 15.006 4.362 ( 1.809 0.000 -4.292) 4.658 4.674 ( -26.953 -0.000 9.112) 28.452 5.020 ( 5.206 0.000 -0.210) 5.210 5.340 ( -2.175 -0.000 7.434) 7.746 5.602 ( 9.613 0.000 6.419) 11.559 5.759 ( 0.547 0.000 -4.303) 4.338 5.875 ( -0.803 -0.000 7.225) 7.270 6.221 ( 1.617 0.000 -19.238) 19.306 6.709 ( -3.342 -0.000 -5.132) 6.124 7.520 ( 4.362 0.000 6.911) 8.173 8.027 ( 9.825 0.000 -1.070) 9.883 8.334 ( 6.346 0.000 6.198) 8.871 9.403 ( -10.326 -0.000 -13.796) 17.232 9.451 ( -15.407 -0.000 0.100) 15.408 9.504 ( -3.807 -0.000 1.509) 4.096 9.912 ( 2.513 0.000 11.832) 12.096 10.596 ( -8.749 -0.000 2.986) 9.244 10.927 ( -5.699 -0.000 -4.522) 7.276 11.259 ( 10.211 0.000 -1.839) 10.375 11.684 ( -4.325 -0.000 -1.472) 4.569 12.098 ( -2.817 -0.000 -1.249) 3.081 12.729 ( 11.856 0.000 5.187) 12.941 15.479 ( 8.848 0.000 -0.107) 8.848 15.546 ( 17.845 0.000 -0.481) 17.851 17.494 ( -6.203 -0.000 7.598) 9.808 17.817 ( 3.086 0.000 1.470) 3.418 18.302 ( 0.803 0.000 -1.502) 1.703 18.349 ( -2.780 -0.000 -1.202) 3.029 18.391 ( -22.529 -0.000 -3.227) 22.759 18.611 ( -17.108 -0.000 2.284) 17.260 22.589 ( 1.685 0.000 -1.273) 2.112 22.812 ( -0.081 -0.000 3.160) 3.161 28.541 ( -15.052 -0.000 -15.292) 21.457 28.968 ( -0.933 -0.000 -1.770) 2.001 28.999 ( -0.060 -0.000 0.919) 0.921 29.470 ( 5.413 0.000 5.001) 7.369 30.201 ( -1.736 -0.000 -5.872) 6.124 30.875 ( -0.705 -0.000 5.148) 5.196 30.893 ( 8.567 0.000 -0.709) 8.596 32.057 ( -8.971 -0.000 5.910) 10.743 33.638 ( -0.745 -0.000 1.650) 1.810 34.268 ( 8.391 0.000 -3.016) 8.916 34.830 ( 1.538 0.000 -4.407) 4.667 35.274 ( -7.411 -0.000 5.518) 9.239 46.293 ( 2.735 0.000 -2.657) 3.813 46.833 ( 4.176 0.000 1.902) 4.589 90.434 ( -13.056 -0.000 3.981) 13.650 90.538 ( -11.725 -0.000 -2.722) 12.037 91.717 ( -2.472 -0.000 -9.724) 10.033 92.302 ( 3.900 0.000 7.613) 8.554 ======================= Grid point 47 (29/196) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.943 ( -5.690 8.530 -2.924) 10.662 3.386 ( -1.586 0.329 0.384) 1.665 3.687 ( -2.394 1.046 -0.703) 2.705 4.086 ( -9.699 17.807 0.099) 20.277 4.525 ( -0.797 -3.431 -0.020) 3.522 4.582 ( 10.779 -8.330 -4.167) 14.246 4.964 ( -6.883 6.512 2.341) 9.761 5.384 ( 6.079 3.084 1.429) 6.965 5.630 ( 0.488 9.770 -0.482) 9.794 5.749 ( 0.337 6.239 0.769) 6.295 5.929 ( -0.258 -1.840 7.325) 7.557 6.134 ( 0.081 -0.835 -10.852) 10.885 6.691 ( -1.393 -9.554 -2.144) 9.891 7.593 ( 2.580 3.266 2.441) 4.825 8.200 ( 10.190 -1.111 -0.624) 10.269 8.477 ( 6.786 0.520 6.290) 9.267 9.134 ( -11.432 1.405 -9.240) 14.766 9.267 ( -12.566 -5.638 -0.530) 13.783 9.450 ( -1.588 1.654 0.252) 2.307 10.055 ( 3.983 -1.516 8.502) 9.510 10.493 ( -6.170 -0.693 -0.490) 6.229 10.836 ( -2.852 0.208 -2.037) 3.511 11.374 ( 6.114 0.702 -0.184) 6.157 11.628 ( -2.845 -1.625 -1.187) 3.484 12.059 ( -1.806 -1.144 -0.755) 2.267 12.888 ( 6.040 0.460 2.578) 6.583 15.591 ( 6.637 0.547 -0.427) 6.673 15.796 ( 14.520 2.099 1.000) 14.705 17.467 ( -4.019 -0.746 4.266) 5.908 17.887 ( 4.543 2.178 0.239) 5.044 18.073 ( -15.260 -3.944 -1.489) 15.832 18.276 ( -7.951 -0.130 0.103) 7.953 18.307 ( 0.945 1.498 -0.316) 1.799 18.409 ( -9.706 -1.382 -0.150) 9.805 22.614 ( 1.221 -1.400 -0.562) 1.941 22.832 ( 0.220 -0.318 1.475) 1.525 28.274 ( -8.753 -0.398 -8.704) 12.351 28.933 ( -0.468 1.583 -1.038) 1.950 29.025 ( 0.166 -2.594 0.526) 2.652 29.582 ( 3.559 -1.529 3.472) 5.201 30.132 ( -1.466 0.782 -4.093) 4.418 30.897 ( 0.005 0.246 2.967) 2.977 31.007 ( 6.096 0.117 -0.320) 6.105 31.968 ( -6.377 0.282 3.350) 7.209 33.571 ( 0.195 9.676 0.800) 9.711 34.392 ( 4.737 -6.274 -2.207) 8.166 34.830 ( -0.103 -1.442 -1.856) 2.353 35.211 ( -4.245 0.850 2.991) 5.262 46.300 ( 1.314 1.359 -1.452) 2.383 46.885 ( 2.311 1.397 1.036) 2.892 90.294 ( -8.048 -0.011 2.192) 8.341 90.383 ( -6.865 -0.145 -1.400) 7.008 91.623 ( -0.986 2.234 -4.649) 5.251 92.384 ( 1.632 0.351 3.917) 4.258 ======================= Grid point 48 (30/196) ======================= q-point: (-0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.719 ( 0.000 16.674 0.000) 16.674 3.332 ( 0.000 5.393 0.000) 5.393 3.638 ( 0.000 2.783 0.000) 2.783 3.782 ( 0.000 18.110 0.000) 18.110 4.570 ( -0.000 -2.166 -0.000) 2.166 4.722 ( 0.000 16.925 0.000) 16.925 4.822 ( -0.000 -11.442 -0.000) 11.442 5.444 ( 0.000 0.619 0.000) 0.619 5.469 ( 0.000 24.818 0.000) 24.818 5.540 ( 0.000 6.947 0.000) 6.947 5.994 ( -0.000 -2.619 -0.000) 2.619 6.124 ( -0.000 -3.227 -0.000) 3.227 6.837 ( -0.000 -13.102 -0.000) 13.102 7.545 ( 0.000 7.513 0.000) 7.513 8.278 ( 0.000 0.849 0.000) 0.849 8.579 ( -0.000 -0.112 -0.000) 0.112 8.948 ( 0.000 3.708 0.000) 3.708 9.274 ( -0.000 -11.590 -0.000) 11.590 9.427 ( 0.000 0.902 0.000) 0.902 10.147 ( -0.000 -1.383 -0.000) 1.383 10.456 ( -0.000 -2.516 -0.000) 2.516 10.806 ( 0.000 0.202 0.000) 0.202 11.408 ( 0.000 1.212 0.000) 1.212 11.632 ( -0.000 -3.320 -0.000) 3.320 12.069 ( -0.000 -2.848 -0.000) 2.848 12.938 ( 0.000 0.453 0.000) 0.453 15.642 ( 0.000 0.111 0.000) 0.111 15.872 ( 0.000 5.097 0.000) 5.097 17.457 ( -0.000 -0.875 -0.000) 0.875 17.855 ( 0.000 1.546 0.000) 1.546 18.065 ( -0.000 -3.397 -0.000) 3.397 18.179 ( -0.000 -1.847 -0.000) 1.847 18.325 ( 0.000 1.476 0.000) 1.476 18.331 ( -0.000 -0.581 -0.000) 0.581 22.647 ( -0.000 -2.414 -0.000) 2.414 22.846 ( -0.000 -0.684 -0.000) 0.684 28.175 ( -0.000 -0.029 -0.000) 0.029 28.907 ( 0.000 1.164 0.000) 1.164 29.068 ( -0.000 -3.323 -0.000) 3.323 29.653 ( -0.000 -3.040 -0.000) 3.040 30.089 ( 0.000 1.624 0.000) 1.624 30.908 ( -0.000 -0.069 -0.000) 0.069 31.045 ( 0.000 1.280 0.000) 1.280 31.927 ( 0.000 0.226 0.000) 0.226 33.426 ( 0.000 13.875 0.000) 13.875 34.523 ( -0.000 -9.057 -0.000) 9.057 34.833 ( -0.000 -0.811 -0.000) 0.811 35.177 ( 0.000 0.945 0.000) 0.945 46.278 ( 0.000 2.701 0.000) 2.701 46.880 ( 0.000 2.758 0.000) 2.758 90.238 ( 0.000 0.238 0.000) 0.238 90.325 ( -0.000 -0.026 -0.000) 0.026 91.562 ( 0.000 3.774 0.000) 3.774 92.401 ( 0.000 0.934 0.000) 0.934 ======================= Grid point 58 (31/196) ======================= q-point: (-0.50 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.941 ( -0.000 -0.000 -0.000) 0.000 3.379 ( -0.000 -0.000 -0.000) 0.000 3.667 ( -0.000 -0.000 -0.000) 0.000 4.116 ( -0.000 -0.000 -0.000) 0.000 4.490 ( -0.000 -0.000 -0.000) 0.000 4.621 ( -0.000 -0.000 -0.000) 0.000 4.937 ( -0.000 -0.000 -0.000) 0.000 5.478 ( -0.000 -0.000 -0.000) 0.000 5.625 ( -0.000 -0.000 -0.000) 0.000 5.877 ( -0.000 -0.000 -0.000) 0.000 5.962 ( -0.000 -0.000 -0.000) 0.000 6.074 ( -0.000 -0.000 -0.000) 0.000 6.587 ( -0.000 -0.000 -0.000) 0.000 7.649 ( -0.000 -0.000 -0.000) 0.000 8.290 ( -0.000 -0.000 -0.000) 0.000 8.575 ( -0.000 -0.000 -0.000) 0.000 8.997 ( -0.000 -0.000 -0.000) 0.000 9.118 ( -0.000 -0.000 -0.000) 0.000 9.444 ( -0.000 -0.000 -0.000) 0.000 10.123 ( -0.000 -0.000 -0.000) 0.000 10.426 ( -0.000 -0.000 -0.000) 0.000 10.808 ( -0.000 -0.000 -0.000) 0.000 11.426 ( -0.000 -0.000 -0.000) 0.000 11.590 ( -0.000 -0.000 -0.000) 0.000 12.032 ( -0.000 -0.000 -0.000) 0.000 12.944 ( -0.000 -0.000 -0.000) 0.000 15.641 ( -0.000 -0.000 -0.000) 0.000 15.943 ( -0.000 -0.000 -0.000) 0.000 17.445 ( -0.000 -0.000 -0.000) 0.000 17.891 ( -0.000 -0.000 -0.000) 0.000 18.005 ( -0.000 -0.000 -0.000) 0.000 18.153 ( -0.000 -0.000 -0.000) 0.000 18.322 ( -0.000 -0.000 -0.000) 0.000 18.344 ( -0.000 -0.000 -0.000) 0.000 22.613 ( -0.000 -0.000 -0.000) 0.000 22.838 ( -0.000 -0.000 -0.000) 0.000 28.174 ( -0.000 -0.000 -0.000) 0.000 28.938 ( -0.000 -0.000 -0.000) 0.000 29.009 ( -0.000 -0.000 -0.000) 0.000 29.613 ( -0.000 -0.000 -0.000) 0.000 30.110 ( -0.000 -0.000 -0.000) 0.000 30.908 ( -0.000 -0.000 -0.000) 0.000 31.060 ( -0.000 -0.000 -0.000) 0.000 31.929 ( -0.000 -0.000 -0.000) 0.000 33.637 ( -0.000 -0.000 -0.000) 0.000 34.375 ( -0.000 -0.000 -0.000) 0.000 34.817 ( -0.000 -0.000 -0.000) 0.000 35.196 ( -0.000 -0.000 -0.000) 0.000 46.313 ( -0.000 -0.000 -0.000) 0.000 46.916 ( -0.000 -0.000 -0.000) 0.000 90.241 ( -0.000 -0.000 -0.000) 0.000 90.325 ( -0.000 -0.000 -0.000) 0.000 91.612 ( -0.000 -0.000 -0.000) 0.000 92.413 ( -0.000 -0.000 -0.000) 0.000 ======================= Grid point 105 (32/196) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( -1.860 -0.000 31.003) 31.059 0.809 ( -18.528 -0.000 36.828) 41.226 1.182 ( -20.141 -0.000 54.509) 58.111 2.298 ( -8.347 -0.000 11.417) 14.142 3.455 ( -1.096 -0.000 -3.088) 3.277 3.513 ( 3.184 0.000 -2.295) 3.925 3.889 ( 0.813 0.000 7.772) 7.814 4.110 ( 6.414 0.000 -7.733) 10.047 6.038 ( 13.498 0.000 -11.029) 17.431 6.188 ( 20.918 0.000 -1.947) 21.008 6.442 ( 3.935 0.000 -12.270) 12.886 6.807 ( 4.954 0.000 -3.265) 5.933 6.859 ( -12.109 -0.000 -3.735) 12.671 6.902 ( -6.053 -0.000 -0.564) 6.080 8.233 ( 6.015 0.000 -3.331) 6.875 8.420 ( 7.981 0.000 -2.902) 8.492 8.720 ( 33.935 0.000 14.153) 36.768 9.447 ( -12.535 -0.000 8.459) 15.122 9.989 ( 32.194 0.000 1.914) 32.251 10.081 ( -3.522 -0.000 -3.527) 4.985 10.794 ( 1.847 0.000 -1.749) 2.544 10.965 ( -3.439 -0.000 -0.690) 3.508 11.703 ( 1.679 0.000 2.686) 3.168 12.228 ( 0.527 0.000 0.985) 1.117 12.482 ( -42.705 -0.000 -3.840) 42.878 12.497 ( -0.640 -0.000 -2.272) 2.360 14.950 ( -2.427 -0.000 4.018) 4.694 15.744 ( 1.261 0.000 -3.626) 3.839 17.829 ( -1.248 -0.000 2.050) 2.400 17.898 ( -41.161 -0.000 -1.909) 41.206 18.034 ( 3.797 0.000 -1.345) 4.028 18.165 ( -3.080 -0.000 1.920) 3.630 18.243 ( 4.824 0.000 -0.596) 4.861 18.320 ( 0.214 0.000 -0.067) 0.224 22.811 ( 2.367 0.000 2.846) 3.702 23.367 ( -57.788 -0.000 -3.015) 57.867 29.009 ( -0.822 -0.000 0.493) 0.958 29.033 ( 2.622 0.000 -0.365) 2.648 29.251 ( 132.165 0.000 2.955) 132.198 29.794 ( -1.026 -0.000 -4.753) 4.863 30.169 ( 1.479 0.000 7.405) 7.551 30.694 ( 1.013 0.000 -1.525) 1.831 30.952 ( -5.399 -0.000 1.911) 5.727 31.904 ( 22.432 0.000 -7.804) 23.751 32.371 ( 4.916 0.000 4.998) 7.011 33.007 ( 1.715 0.000 -3.497) 3.895 35.665 ( 2.793 0.000 5.268) 5.963 36.504 ( -66.057 -0.000 -3.373) 66.143 45.966 ( -1.466 -0.000 2.365) 2.783 46.363 ( 1.259 0.000 -1.674) 2.094 90.336 ( 2.551 0.000 -0.558) 2.611 90.345 ( -60.797 -0.000 -0.651) 60.800 91.142 ( -1.340 -0.000 3.134) 3.409 91.737 ( 0.097 0.000 -2.930) 2.932 ======================= Grid point 106 (33/196) ======================= q-point: ( 0.10 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 17.496 -17.903 22.214) 33.468 1.288 ( 18.752 -11.214 27.549) 35.162 1.697 ( 24.530 -23.479 31.886) 46.580 2.460 ( 7.857 -10.119 9.028) 15.673 3.464 ( 2.818 -0.832 -2.085) 3.603 3.604 ( 8.881 -2.678 -0.665) 9.300 3.983 ( 4.797 -2.089 7.368) 9.037 4.281 ( 9.078 -11.722 -4.323) 15.444 6.009 ( -12.257 10.092 -3.153) 16.187 6.169 ( 12.939 5.202 -7.424) 15.798 6.343 ( 1.181 5.097 -10.056) 11.336 6.610 ( -11.987 3.490 -4.247) 13.187 6.859 ( -1.959 -4.945 1.457) 5.515 6.938 ( 5.574 -8.691 -8.024) 13.077 8.294 ( 3.618 0.835 0.209) 3.719 8.448 ( 2.205 0.506 -3.759) 4.387 9.136 ( 3.988 13.354 9.331) 16.772 9.415 ( 10.187 -4.189 0.781) 11.043 10.010 ( -0.615 1.616 -4.430) 4.755 10.270 ( 1.808 1.476 6.254) 6.675 10.867 ( -2.456 2.813 -1.836) 4.162 11.033 ( 24.678 0.451 -16.497) 29.688 11.606 ( -13.109 12.063 13.330) 22.249 12.028 ( -20.798 -15.394 -0.288) 25.877 12.226 ( -1.992 0.601 1.369) 2.491 12.439 ( -2.288 2.268 -3.130) 4.492 14.949 ( -5.411 -3.172 3.880) 7.375 15.669 ( -8.970 -1.744 -3.702) 9.860 17.633 ( 4.062 1.834 -1.568) 4.725 17.904 ( 4.973 -2.539 -0.242) 5.589 18.093 ( 2.803 -0.775 2.119) 3.598 18.144 ( -1.493 1.361 2.040) 2.871 18.402 ( 8.397 -3.094 0.843) 8.988 18.585 ( 28.898 0.980 -13.247) 31.804 22.867 ( 1.213 0.339 5.340) 5.486 22.947 ( -10.836 1.070 1.960) 11.064 28.963 ( 0.028 3.470 1.333) 3.718 29.053 ( 0.220 -0.933 -0.289) 1.002 29.699 ( -5.157 0.431 -8.322) 9.800 30.181 ( 21.119 16.286 -1.484) 26.710 30.259 ( 19.796 9.900 -5.322) 22.764 30.706 ( 1.584 0.876 -1.217) 2.181 30.912 ( -1.178 0.192 0.475) 1.285 32.033 ( 19.636 22.117 -9.276) 30.997 32.517 ( 12.276 8.101 3.734) 15.175 33.487 ( 29.153 -38.630 -32.040) 58.041 35.399 ( -50.431 14.793 28.041) 59.569 35.791 ( -7.816 -3.593 11.486) 14.350 45.982 ( -0.026 -1.536 2.145) 2.638 46.404 ( 1.101 -4.195 -2.413) 4.964 90.441 ( 12.183 1.144 1.040) 12.280 90.564 ( 51.869 8.673 -22.711) 57.284 91.165 ( -0.778 -2.017 3.617) 4.214 91.799 ( 0.969 -12.169 -9.682) 15.581 ======================= Grid point 107 (34/196) ======================= q-point: ( 0.20 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( 19.157 -16.426 10.815) 27.455 1.893 ( 15.903 -18.776 21.034) 32.371 2.641 ( 25.032 -13.750 12.230) 31.069 2.889 ( 26.421 -19.891 10.276) 34.631 3.528 ( 6.631 -1.452 -1.243) 6.901 3.791 ( 9.480 -1.760 1.011) 9.694 4.212 ( 10.811 -8.523 1.211) 13.820 4.568 ( 8.045 -16.673 -1.339) 18.561 5.683 ( -14.483 5.924 1.869) 15.760 6.070 ( 2.371 13.838 -16.532) 21.689 6.335 ( -12.202 5.796 1.412) 13.582 6.380 ( 13.968 2.540 -3.678) 14.666 6.965 ( 2.683 -5.987 3.750) 7.557 7.086 ( 5.230 -11.760 -8.878) 15.635 8.295 ( -2.865 1.512 2.618) 4.165 8.441 ( -1.249 -0.057 -3.292) 3.522 9.016 ( -2.719 5.098 1.716) 6.027 9.595 ( 8.345 5.710 3.404) 10.669 10.017 ( 5.655 -1.709 -0.889) 5.974 10.300 ( -2.507 0.216 9.623) 9.946 10.730 ( -5.612 4.307 -6.139) 9.366 11.154 ( 10.060 5.694 -9.820) 15.168 11.383 ( -9.137 7.019 10.713) 15.732 11.951 ( -9.053 -5.241 -5.310) 11.731 12.190 ( -2.015 0.937 -0.087) 2.224 12.344 ( -2.569 2.780 -2.319) 4.439 14.936 ( -4.444 -3.758 1.342) 5.973 15.513 ( -11.038 -1.854 -1.257) 11.263 17.677 ( 6.080 3.980 -2.156) 7.580 17.995 ( 3.503 -3.046 -3.110) 5.588 18.112 ( -1.222 0.193 2.148) 2.479 18.172 ( 4.886 1.803 2.848) 5.936 18.634 ( 13.801 -2.986 1.817) 14.236 18.863 ( 21.600 -0.075 -10.280) 23.921 22.827 ( -4.732 1.183 -2.817) 5.632 22.910 ( -0.580 1.156 7.176) 7.292 28.944 ( -0.318 1.264 2.516) 2.834 29.058 ( 0.243 0.156 -0.993) 1.034 29.526 ( -6.346 0.649 -11.208) 12.896 30.201 ( 9.254 13.357 -0.590) 16.261 30.283 ( 0.410 2.480 0.793) 2.636 30.690 ( -0.749 1.099 -0.801) 1.552 30.913 ( 0.866 -0.008 0.483) 0.992 31.940 ( 11.613 20.712 -1.716) 23.808 32.616 ( 7.301 3.125 3.142) 8.541 34.038 ( 23.802 -22.693 -32.703) 46.379 34.875 ( -28.858 5.305 22.991) 37.276 35.825 ( -3.691 0.600 11.299) 11.901 46.032 ( 0.912 -2.801 1.925) 3.519 46.457 ( 1.192 -3.889 -2.013) 4.539 90.660 ( 17.765 3.368 3.263) 18.374 90.883 ( 30.404 12.857 -17.925) 37.563 91.226 ( 0.564 -3.176 3.849) 5.022 91.903 ( 5.377 -10.061 -14.396) 18.368 ======================= Grid point 108 (35/196) ======================= q-point: ( 0.30 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 16.246 -13.143 0.567) 20.904 2.485 ( 7.842 -22.324 15.772) 28.437 2.943 ( 8.899 1.221 4.680) 10.129 3.673 ( 16.467 -7.726 5.570) 19.023 3.753 ( 19.883 -10.872 3.023) 22.862 3.933 ( 10.825 -3.060 -3.407) 11.754 4.468 ( 10.895 -9.985 -5.278) 15.692 4.924 ( 10.109 -15.849 -0.864) 18.818 5.492 ( -7.660 2.110 9.115) 12.091 5.781 ( -1.309 12.920 -14.550) 19.502 6.083 ( -11.038 4.743 2.189) 12.212 6.595 ( 17.154 4.913 4.243) 18.341 7.083 ( 1.341 -4.688 -0.914) 4.961 7.281 ( 5.864 -12.737 -3.453) 14.441 8.206 ( -12.395 -0.729 2.725) 12.712 8.334 ( -3.731 2.782 -5.069) 6.882 9.006 ( 6.610 4.182 1.383) 7.943 9.604 ( 1.865 3.855 -0.261) 4.291 10.152 ( 7.137 -1.212 0.158) 7.241 10.333 ( -2.632 -0.791 7.366) 7.861 10.519 ( -2.968 8.213 -8.521) 12.201 11.090 ( -4.677 3.792 0.328) 6.030 11.347 ( 3.982 3.664 9.310) 10.769 11.782 ( -11.312 -1.073 -8.800) 14.372 12.147 ( -1.348 1.463 0.017) 1.989 12.267 ( -2.291 1.953 -1.115) 3.210 14.934 ( -1.301 -3.173 -1.853) 3.898 15.385 ( -9.129 -1.745 1.304) 9.385 17.666 ( 2.358 4.975 -1.812) 5.796 18.014 ( 1.630 1.228 -3.381) 3.949 18.155 ( -1.611 -5.211 3.996) 6.761 18.249 ( 7.156 2.572 1.021) 7.672 18.868 ( 13.861 -0.274 -0.936) 13.895 19.092 ( 13.054 -1.790 -2.911) 13.494 22.724 ( -3.415 1.157 -4.146) 5.495 22.923 ( -2.252 2.075 7.788) 8.368 28.959 ( 0.336 0.074 3.274) 3.292 29.037 ( -0.415 1.081 -2.078) 2.379 29.359 ( -3.730 0.150 -10.639) 11.275 30.111 ( 0.243 5.127 -8.631) 10.042 30.283 ( -1.430 1.149 6.110) 6.379 30.651 ( -1.819 0.493 -1.529) 2.427 30.944 ( 0.931 -0.742 3.232) 3.445 31.852 ( 8.777 16.940 1.574) 19.144 32.698 ( 4.516 1.188 2.410) 5.254 34.288 ( 4.975 -9.810 -17.624) 20.775 34.723 ( -2.562 -3.309 5.927) 7.255 35.817 ( -5.191 3.354 11.585) 13.131 46.100 ( 0.880 -3.233 1.795) 3.801 46.507 ( 1.423 -2.812 -1.641) 3.553 90.896 ( 18.483 7.501 2.699) 20.129 90.971 ( 13.893 7.439 -8.895) 18.097 91.300 ( -1.945 -5.308 3.406) 6.600 92.008 ( 7.370 -6.565 -10.948) 14.740 ======================= Grid point 109 (36/196) ======================= q-point: ( 0.40 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.586 ( 7.566 -9.163 -4.788) 12.812 2.894 ( 1.982 -15.545 9.323) 18.234 3.017 ( 2.389 4.836 2.385) 5.897 3.882 ( 4.461 1.951 -4.682) 6.755 3.982 ( 8.768 -7.987 -0.584) 11.875 4.147 ( 7.581 -2.269 -5.908) 9.875 4.742 ( 8.866 -4.835 -4.988) 11.264 5.140 ( 7.302 1.508 0.021) 7.456 5.551 ( -2.014 1.911 -1.887) 3.357 5.628 ( 11.445 -7.906 2.637) 14.157 5.964 ( -5.671 -0.367 9.584) 11.143 6.736 ( 0.659 8.110 10.489) 13.275 7.108 ( 0.273 -1.235 -4.445) 4.622 7.478 ( 0.386 -10.533 -2.128) 10.753 8.017 ( -6.559 0.792 -3.937) 7.691 8.258 ( -1.021 0.373 -1.355) 1.737 9.072 ( 6.210 5.261 3.928) 9.037 9.584 ( 0.691 0.185 -2.701) 2.794 10.198 ( 0.037 7.573 -4.647) 8.885 10.265 ( -2.335 -4.934 -9.579) 11.025 10.464 ( 7.461 4.439 7.231) 11.298 10.961 ( -10.754 1.126 6.577) 12.656 11.514 ( 3.605 -0.421 5.697) 6.755 11.546 ( -5.358 0.085 -4.352) 6.903 12.119 ( -0.300 0.966 0.414) 1.093 12.207 ( -1.797 1.288 -0.504) 2.268 14.953 ( 2.163 -2.460 -4.217) 5.340 15.296 ( -7.064 -0.771 2.728) 7.612 17.613 ( 1.256 4.489 -2.448) 5.265 18.002 ( 2.288 1.199 -2.714) 3.746 18.212 ( -3.289 -3.947 5.430) 7.475 18.327 ( 5.103 1.148 0.313) 5.240 19.047 ( 10.747 -0.546 -1.852) 10.919 19.229 ( 4.018 -0.403 0.362) 4.054 22.646 ( -1.144 0.442 -4.182) 4.358 22.910 ( -2.758 2.346 7.351) 8.194 28.950 ( -0.844 1.720 -4.208) 4.623 29.033 ( 0.972 -0.252 3.574) 3.713 29.272 ( 0.679 -0.619 -6.992) 7.052 29.975 ( -6.731 -3.687 -11.785) 14.064 30.287 ( -0.692 1.392 3.762) 4.070 30.606 ( -1.153 0.394 -2.618) 2.888 31.008 ( 0.317 -1.633 7.205) 7.395 31.796 ( 7.106 13.414 3.078) 15.489 32.754 ( 2.031 0.572 2.345) 3.155 34.247 ( -4.105 -1.133 -6.168) 7.495 34.888 ( 10.199 -9.120 -6.987) 15.362 35.757 ( -6.720 5.143 11.686) 14.428 46.158 ( -0.159 -2.692 1.785) 3.234 46.542 ( 1.499 -1.037 -1.496) 2.358 90.979 ( 11.399 9.007 -6.910) 16.088 91.075 ( 6.125 0.308 4.918) 7.861 91.336 ( -3.165 -3.975 -0.167) 5.084 92.142 ( 6.764 -5.651 -2.223) 9.090 ======================= Grid point 110 (37/196) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.667 ( 0.669 1.405 -4.264) 4.539 2.889 ( -7.698 5.369 -8.471) 12.643 3.084 ( -3.849 -7.921 6.157) 10.745 3.860 ( 1.989 2.170 -5.331) 6.090 3.974 ( -4.681 2.460 -8.738) 10.213 4.330 ( 6.465 -3.009 1.097) 7.215 4.715 ( 2.182 4.879 -6.546) 8.451 5.146 ( 3.994 7.087 0.288) 8.140 5.594 ( 1.481 -3.347 4.221) 5.587 5.981 ( 16.161 -7.088 -5.123) 18.376 6.075 ( -0.090 -9.412 15.051) 17.751 6.463 ( -29.048 13.674 14.369) 35.175 7.074 ( 2.419 4.072 -6.802) 8.288 7.492 ( -8.816 -9.317 -6.336) 14.307 8.018 ( 9.746 2.712 -2.730) 10.478 8.272 ( 1.190 -2.631 1.662) 3.332 9.105 ( 3.025 4.921 4.889) 7.568 9.582 ( -0.454 -1.816 -2.229) 2.911 9.992 ( -3.550 6.253 -9.977) 12.297 10.291 ( 3.694 -3.623 -8.046) 9.566 10.646 ( 13.419 2.068 7.567) 15.544 10.850 ( -12.514 -3.152 9.062) 15.769 11.292 ( -11.156 -0.805 -8.652) 14.141 11.768 ( 8.679 -0.676 9.445) 12.844 12.130 ( 2.561 0.675 2.619) 3.725 12.188 ( 0.224 -0.707 0.136) 0.754 15.002 ( 5.447 -1.805 -5.304) 7.814 15.229 ( -5.390 0.121 3.445) 6.398 17.566 ( 2.078 3.320 -3.274) 5.105 18.012 ( 2.792 0.675 -2.231) 3.638 18.240 ( -4.057 -2.741 6.018) 7.758 18.364 ( 0.793 0.666 0.559) 1.177 19.164 ( 3.592 -0.163 -1.832) 4.036 19.231 ( -2.895 -0.430 1.248) 3.182 22.623 ( 1.883 -0.459 -3.933) 4.385 22.903 ( -1.601 1.297 7.204) 7.493 28.880 ( 0.033 1.790 -5.062) 5.369 29.067 ( -0.337 -0.139 1.724) 1.762 29.301 ( 6.127 -1.471 -2.739) 6.871 29.838 ( -10.496 -9.993 -13.781) 19.999 30.278 ( -2.197 -0.571 0.731) 2.385 30.576 ( 1.135 0.789 -2.873) 3.188 31.093 ( -0.727 -2.111 9.780) 10.032 31.768 ( 5.629 9.993 3.483) 11.987 32.777 ( -0.575 0.446 2.637) 2.736 34.148 ( -1.727 1.919 -7.436) 7.871 35.099 ( 9.390 -8.707 -7.840) 15.015 35.668 ( -7.665 5.357 12.998) 16.012 46.184 ( -1.797 -1.430 1.932) 3.001 46.553 ( 1.474 1.108 -1.571) 2.423 90.967 ( 3.522 4.374 -4.248) 7.042 91.166 ( -3.478 -6.091 3.505) 7.841 91.310 ( 0.601 2.065 -2.023) 2.953 92.313 ( 3.625 -6.900 4.979) 9.249 ======================= Grid point 111 (38/196) ======================= q-point: (-0.40 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( -13.455 15.991 -7.413) 22.174 2.599 ( -9.396 6.345 -11.429) 16.098 3.114 ( -8.453 -4.725 7.741) 12.397 3.763 ( -8.998 4.884 -5.677) 11.706 3.800 ( -1.319 4.611 -3.695) 6.054 4.219 ( -9.084 8.941 -4.693) 13.582 4.766 ( 4.488 2.646 3.171) 6.099 5.149 ( 6.570 3.103 -0.208) 7.269 5.679 ( -3.613 1.056 2.286) 4.404 5.794 ( -30.271 14.171 5.831) 33.929 6.154 ( 5.852 -2.653 -3.696) 7.412 6.382 ( -0.468 -13.709 12.914) 18.840 6.976 ( 2.175 7.584 -7.134) 10.637 7.415 ( -8.637 -7.400 -6.548) 13.124 8.095 ( 7.486 4.533 -0.321) 8.757 8.385 ( 4.542 -4.177 2.471) 6.647 9.130 ( 1.328 2.558 6.080) 6.729 9.563 ( -2.776 -1.483 -1.647) 3.552 9.818 ( -2.769 2.985 -9.099) 9.968 10.344 ( 5.586 -4.193 -9.685) 11.941 10.699 ( -8.528 2.056 8.137) 11.965 10.986 ( 10.291 -7.063 4.918) 13.415 11.125 ( -4.701 -0.707 -2.489) 5.366 11.895 ( 2.193 -0.923 1.863) 3.022 12.221 ( 5.176 0.670 1.138) 5.342 12.248 ( 4.987 -1.273 6.839) 8.559 15.087 ( 7.030 -1.811 -3.958) 8.269 15.186 ( -2.486 0.605 3.376) 4.237 17.549 ( 3.685 2.060 -3.729) 5.633 18.025 ( 2.439 1.191 -2.379) 3.609 18.250 ( -4.385 -1.988 5.828) 7.559 18.345 ( -3.228 0.220 1.172) 3.441 19.042 ( -10.203 4.248 -2.077) 11.246 19.267 ( -2.576 -5.732 1.629) 6.492 22.646 ( 3.716 -0.501 -3.953) 5.449 22.954 ( 0.748 -1.730 9.079) 9.272 28.846 ( 1.722 0.974 -2.778) 3.410 29.053 ( -1.682 -0.873 -2.465) 3.109 29.428 ( 9.060 -2.131 -2.619) 9.668 29.721 ( -12.064 -14.340 -12.864) 22.730 30.239 ( -5.202 -2.901 -2.999) 6.669 30.583 ( 3.849 1.160 -2.194) 4.580 31.171 ( -2.555 -1.889 10.413) 10.887 31.762 ( 4.386 6.470 3.015) 8.378 32.759 ( -3.638 0.817 2.727) 4.619 34.033 ( 1.656 5.471 -11.689) 13.012 35.263 ( 6.514 -6.687 -7.513) 11.983 35.610 ( -7.219 2.449 17.631) 19.209 46.168 ( -3.400 0.062 2.235) 4.069 46.536 ( 1.561 3.081 -1.811) 3.900 90.894 ( -7.299 -1.048 -3.469) 8.149 91.161 ( -2.028 -0.084 -1.440) 2.489 91.326 ( -1.174 -4.169 3.198) 5.384 92.492 ( -1.448 -10.825 8.490) 13.833 ======================= Grid point 112 (39/196) ======================= q-point: (-0.30 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( -22.181 16.102 -9.346) 28.959 2.204 ( -14.871 20.037 -1.854) 25.022 3.060 ( -15.750 -3.082 7.997) 17.931 3.470 ( -14.523 9.866 -0.920) 17.582 3.648 ( -8.233 7.665 1.143) 11.306 3.914 ( -12.147 7.215 -0.828) 14.152 4.585 ( -16.711 16.071 -0.467) 23.189 4.988 ( -23.007 17.177 2.236) 28.799 5.372 ( 9.670 -2.325 3.010) 10.391 5.798 ( 5.466 -5.743 -12.200) 14.550 6.229 ( 5.482 -2.562 -4.600) 7.601 6.605 ( -3.444 -11.158 11.669) 16.508 6.876 ( 2.168 5.880 -3.470) 7.164 7.331 ( -7.551 -4.891 -4.506) 10.062 8.140 ( 6.828 4.056 -1.143) 8.024 8.486 ( 1.873 -0.518 1.331) 2.355 9.142 ( -5.122 -1.223 4.143) 6.700 9.550 ( 1.088 -0.591 0.683) 1.414 9.677 ( -5.300 0.272 -7.855) 9.480 10.407 ( 3.770 -1.729 -7.214) 8.322 10.631 ( -7.639 -5.519 6.603) 11.506 11.024 ( -1.832 -2.270 -5.021) 5.806 11.332 ( 12.062 -4.147 7.237) 14.665 11.937 ( 2.586 -1.162 -0.876) 2.967 12.298 ( 5.062 -0.340 0.594) 5.108 12.399 ( 8.720 3.189 6.444) 11.302 15.130 ( -6.151 -2.387 5.925) 8.868 15.262 ( 13.829 0.367 -3.879) 14.367 17.570 ( 5.427 1.195 -3.346) 6.487 18.018 ( 2.219 2.324 -2.618) 4.144 18.240 ( -4.148 -0.155 4.007) 5.769 18.284 ( -7.414 -1.251 2.639) 7.969 18.773 ( -14.304 4.728 -3.320) 15.427 19.298 ( -8.333 -9.804 2.505) 13.108 22.679 ( 3.914 -0.032 -3.534) 5.274 23.111 ( 2.056 -6.595 13.701) 15.344 28.862 ( 1.588 -0.498 -0.272) 1.686 29.008 ( -2.926 -3.436 -7.521) 8.771 29.515 ( -2.818 -11.671 -16.984) 20.799 29.707 ( -0.517 -8.673 -0.075) 8.689 30.145 ( -7.864 -3.298 -7.033) 11.053 30.623 ( 5.078 1.251 -1.633) 5.479 31.204 ( -5.515 -0.950 9.476) 11.005 31.779 ( 3.524 2.991 1.667) 4.914 32.681 ( -6.946 1.830 1.998) 7.455 33.876 ( 5.364 11.184 -17.477) 21.431 35.357 ( 3.947 -4.395 -5.004) 7.741 35.680 ( -5.559 -4.592 24.663) 25.695 46.118 ( -4.363 1.245 2.560) 5.209 46.500 ( 1.987 4.438 -2.127) 5.308 90.727 ( -13.439 -2.240 -3.654) 14.106 91.131 ( 2.773 4.314 -0.320) 5.138 91.396 ( -8.076 -13.282 3.695) 15.977 92.670 ( -8.874 -19.445 8.761) 23.100 ======================= Grid point 113 (40/196) ======================= q-point: (-0.20 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( -25.584 14.947 2.611) 29.745 1.642 ( -21.086 27.526 7.204) 35.415 2.649 ( -48.527 8.242 12.825) 50.866 3.050 ( -23.949 19.949 15.746) 34.920 3.464 ( -4.048 0.368 -1.856) 4.468 3.717 ( -5.037 4.145 -0.005) 6.523 4.048 ( -15.903 13.802 -4.867) 21.613 4.553 ( -9.195 15.403 -4.631) 18.527 5.590 ( 9.154 -3.541 -0.285) 9.819 5.855 ( 8.319 -4.823 -16.359) 18.976 6.321 ( 4.565 -4.568 -4.748) 8.015 6.717 ( 0.508 -1.065 4.776) 4.919 6.861 ( -1.666 -2.900 1.931) 3.862 7.242 ( -6.902 -1.101 -1.381) 7.124 8.179 ( 6.817 3.905 -2.927) 8.384 8.489 ( 0.247 1.671 0.867) 1.898 9.027 ( -17.362 -6.778 -5.246) 19.362 9.541 ( -2.359 3.043 -4.851) 6.194 9.631 ( 4.601 -0.195 4.617) 6.521 10.347 ( -6.175 2.568 0.349) 6.697 10.731 ( -0.632 -12.284 -0.299) 12.304 11.005 ( -0.031 -1.793 -4.005) 4.388 11.547 ( 2.198 -5.377 4.805) 7.539 12.026 ( 8.510 -1.085 -0.634) 8.602 12.392 ( 6.181 0.194 1.523) 6.369 12.520 ( 14.353 9.338 2.470) 17.301 15.095 ( -9.361 -3.090 7.078) 12.136 15.473 ( 16.998 0.041 -3.353) 17.325 17.635 ( 7.184 0.586 -1.052) 7.285 18.003 ( 3.186 3.009 -2.575) 5.083 18.139 ( -11.292 1.972 2.071) 11.649 18.226 ( -5.471 -1.496 3.238) 6.531 18.497 ( -11.412 2.217 -3.032) 12.014 19.303 ( -15.430 -16.975 -0.337) 22.942 22.714 ( 3.593 0.029 -2.076) 4.149 23.396 ( 0.431 -15.975 22.229) 27.377 28.834 ( -13.213 -10.705 -13.402) 21.652 28.971 ( 1.078 -2.906 -5.845) 6.616 29.406 ( -15.140 -16.036 -24.310) 32.823 29.860 ( 7.877 -3.008 -1.044) 8.496 29.992 ( -6.659 1.163 -4.056) 7.883 30.669 ( 4.532 1.409 -1.544) 4.990 31.162 ( -8.801 0.405 7.298) 11.440 31.809 ( 2.379 0.466 -0.635) 2.506 32.537 ( -8.867 3.176 0.806) 9.453 33.638 ( 8.850 20.359 -22.982) 31.953 35.451 ( 4.543 -4.475 -1.831) 6.635 35.941 ( -4.579 -16.284 35.125) 38.985 46.051 ( -4.322 1.692 2.689) 5.364 46.457 ( 2.856 5.205 -2.618) 6.489 90.525 ( -12.079 -1.042 -2.966) 12.481 91.124 ( 2.356 3.496 0.969) 4.326 91.466 ( -14.648 -21.080 1.844) 25.736 92.823 ( -23.020 -35.117 -1.725) 42.025 ======================= Grid point 114 (41/196) ======================= q-point: (-0.10 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( -22.150 13.255 24.286) 35.442 1.048 ( -21.930 26.246 23.088) 41.265 1.729 ( -66.836 14.804 30.565) 74.970 2.557 ( -23.525 13.851 13.066) 30.265 3.456 ( 1.427 -1.477 -1.394) 2.482 3.581 ( -2.821 7.171 -2.557) 8.118 3.831 ( -1.355 -0.819 1.496) 2.178 4.234 ( -2.446 12.817 -7.583) 15.092 5.721 ( 6.038 -3.279 4.906) 8.442 5.942 ( 12.254 -1.366 -13.346) 18.169 6.399 ( 2.825 -5.534 -6.600) 9.065 6.765 ( 5.008 2.629 1.424) 5.832 6.877 ( -3.782 -4.203 0.409) 5.669 7.115 ( -6.124 5.494 -0.591) 8.248 8.200 ( 6.326 3.498 -4.798) 8.676 8.504 ( 1.283 0.388 3.505) 3.752 8.679 ( -28.673 -4.342 -14.951) 32.627 9.478 ( -3.267 -1.040 4.520) 5.673 9.734 ( 10.542 8.003 5.379) 14.287 10.200 ( -8.296 2.079 -0.480) 8.566 10.824 ( -3.270 -7.342 -3.807) 8.893 11.001 ( -0.864 -0.972 -1.355) 1.878 11.638 ( -2.489 -6.395 3.417) 7.666 12.166 ( 5.297 -2.442 0.224) 5.837 12.481 ( 1.709 -2.585 -0.056) 3.099 12.667 ( 24.232 13.147 -3.485) 27.788 15.025 ( -10.844 -2.477 4.914) 12.160 15.679 ( 13.713 1.773 -3.944) 14.379 17.779 ( 11.159 -1.493 3.885) 11.910 17.931 ( -12.038 1.603 1.459) 12.232 18.006 ( 4.568 2.751 -2.305) 5.810 18.191 ( -3.550 -0.450 2.620) 4.435 18.352 ( -5.971 -1.153 -0.957) 6.156 19.135 ( -42.066 -22.783 -22.833) 53.009 22.758 ( 3.096 -0.073 0.217) 3.104 23.870 ( -13.120 -41.997 13.956) 46.159 28.356 ( -39.881 -8.887 -32.924) 52.473 29.004 ( 2.204 -0.531 -0.372) 2.297 29.148 ( -5.235 6.528 -7.380) 11.157 29.837 ( 0.461 1.885 -6.332) 6.623 30.055 ( 5.581 -0.802 7.215) 9.157 30.694 ( 2.607 1.470 -1.627) 3.407 31.051 ( -9.446 1.096 4.516) 10.528 31.811 ( 0.384 0.666 -2.087) 2.225 32.383 ( -5.635 3.195 1.996) 6.778 33.285 ( 8.139 29.500 -19.306) 36.183 35.566 ( 4.161 -3.068 1.288) 5.328 36.516 ( -1.919 -40.128 28.316) 49.150 45.993 ( -3.269 1.243 2.531) 4.317 46.410 ( 3.174 6.098 -3.792) 7.851 90.373 ( -6.157 -0.273 -1.929) 6.458 91.123 ( 0.228 1.249 1.125) 1.696 91.487 ( -35.372 -38.314 -6.537) 52.553 92.524 ( -65.669 -25.719 -54.148) 88.915 ======================= Grid point 116 (42/196) ======================= q-point: ( 0.10 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 24.506 0.000 24.016) 34.312 1.680 ( 14.329 0.000 21.511) 25.846 2.346 ( 53.066 0.000 16.321) 55.519 2.690 ( 19.881 0.000 6.132) 20.805 3.594 ( 12.902 0.000 0.373) 12.908 3.720 ( 11.581 0.000 -2.668) 11.884 4.078 ( 2.125 0.000 10.616) 10.826 4.333 ( 11.491 0.000 -6.798) 13.351 5.767 ( -19.070 -0.000 1.525) 19.131 6.329 ( 3.231 0.000 -16.414) 16.729 6.386 ( -5.662 -0.000 -10.013) 11.503 6.427 ( 10.303 0.000 5.100) 11.496 6.852 ( 4.010 0.000 -12.216) 12.857 6.890 ( 3.441 0.000 2.246) 4.110 8.316 ( -5.817 -0.000 4.912) 7.613 8.432 ( 0.070 0.000 -3.919) 3.920 9.103 ( -6.517 -0.000 0.536) 6.539 9.720 ( 16.613 0.000 4.873) 17.313 9.979 ( 1.144 0.000 -9.386) 9.455 10.265 ( -9.102 -0.000 15.421) 17.907 10.801 ( -2.701 -0.000 -7.032) 7.533 11.217 ( 6.439 0.000 -6.771) 9.343 11.572 ( -11.445 -0.000 6.530) 13.177 11.792 ( -1.599 -0.000 0.619) 1.715 12.216 ( -2.506 -0.000 1.671) 3.012 12.386 ( -3.265 -0.000 -3.136) 4.527 14.889 ( -2.515 -0.000 1.223) 2.796 15.485 ( -10.648 -0.000 -1.397) 10.739 17.744 ( 7.944 0.000 -1.012) 8.008 17.930 ( 1.237 0.000 -1.528) 1.966 18.147 ( -0.512 -0.000 0.121) 0.526 18.197 ( 6.631 0.000 2.931) 7.250 18.553 ( 13.767 0.000 2.964) 14.082 18.866 ( 21.618 0.000 -15.400) 26.543 22.842 ( -5.009 -0.000 -2.764) 5.720 22.924 ( -0.607 -0.000 8.042) 8.064 28.964 ( -2.008 -0.000 1.798) 2.696 29.058 ( 0.973 0.000 -0.500) 1.094 29.533 ( -6.630 -0.000 -11.832) 13.563 30.272 ( -1.685 -0.000 9.652) 9.798 30.362 ( -3.219 -0.000 -16.696) 17.004 30.752 ( 0.658 0.000 -4.865) 4.909 30.910 ( -0.274 -0.000 1.001) 1.038 32.291 ( 6.183 0.000 -5.869) 8.525 33.159 ( 11.404 0.000 -4.342) 12.203 33.274 ( 42.723 0.000 -33.443) 54.256 34.973 ( -39.746 -0.000 31.201) 50.530 35.797 ( -2.739 -0.000 11.032) 11.367 45.995 ( 1.353 0.000 1.556) 2.062 46.399 ( 2.627 0.000 -0.985) 2.806 90.702 ( 18.500 0.000 4.802) 19.113 91.063 ( 10.073 0.000 -10.412) 14.487 91.325 ( 38.620 0.000 -29.038) 48.319 91.646 ( -2.819 -0.000 -3.870) 4.788 ======================= Grid point 117 (43/196) ======================= q-point: ( 0.20 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( 15.515 -5.456 8.011) 18.293 2.124 ( 24.100 -5.488 20.548) 32.143 3.014 ( 20.016 2.348 3.423) 20.442 3.323 ( 44.641 -12.279 13.321) 48.178 3.739 ( 16.077 8.359 -1.806) 18.210 3.905 ( 9.278 -1.686 -3.636) 10.106 4.262 ( 7.803 -7.518 2.647) 11.154 4.502 ( 10.089 -11.743 -4.782) 16.204 5.564 ( -10.469 2.059 8.768) 13.810 6.150 ( -2.023 10.977 -12.108) 16.468 6.178 ( -5.818 4.379 -8.149) 10.928 6.673 ( 12.153 0.519 5.860) 13.502 6.905 ( 6.506 -11.190 -15.925) 20.522 6.998 ( 4.356 -3.453 6.285) 8.391 8.182 ( -16.638 -0.683 6.264) 17.792 8.384 ( -1.921 1.026 -4.864) 5.330 9.100 ( 6.594 2.121 1.598) 7.108 9.787 ( 2.216 9.936 -3.249) 10.686 10.035 ( 5.155 -7.965 -4.729) 10.601 10.269 ( -9.121 -2.201 16.811) 19.252 10.693 ( -0.434 3.999 -8.349) 9.268 11.195 ( -2.261 2.569 0.098) 3.423 11.471 ( -1.373 5.236 5.244) 7.537 11.727 ( -9.072 -2.796 -5.862) 11.157 12.181 ( -2.326 0.926 1.063) 2.720 12.313 ( -2.610 1.174 -1.949) 3.462 14.881 ( 0.806 -0.987 -1.957) 2.335 15.349 ( -7.848 -0.842 1.331) 8.004 17.795 ( 1.875 5.044 1.779) 5.668 17.966 ( 1.010 -5.236 -0.352) 5.344 18.122 ( 0.222 2.457 -1.382) 2.827 18.296 ( 5.748 0.859 0.512) 5.834 18.820 ( 13.062 -2.790 4.473) 14.086 19.038 ( 13.856 -1.262 -10.514) 17.439 22.743 ( -4.359 0.370 -4.223) 6.081 22.959 ( -2.966 0.744 9.596) 10.072 28.961 ( -0.555 0.076 3.501) 3.546 29.059 ( 0.052 0.470 -1.131) 1.226 29.355 ( -4.301 -0.210 -12.847) 13.549 30.129 ( -10.824 -1.014 -16.509) 19.767 30.307 ( -1.639 0.499 7.236) 7.436 30.695 ( -1.447 1.522 -3.394) 3.991 30.921 ( -0.908 -0.699 3.397) 3.585 32.279 ( 4.669 8.231 -2.897) 9.897 33.019 ( 16.436 26.950 -2.297) 31.650 33.828 ( 16.805 -25.472 -21.858) 37.536 34.724 ( -16.273 1.434 17.610) 24.020 35.827 ( -6.150 -1.283 12.131) 13.661 46.041 ( 2.286 -1.231 0.958) 2.768 46.449 ( 3.400 -1.363 -0.671) 3.724 91.004 ( 13.033 3.462 5.160) 14.439 91.100 ( 5.703 -2.652 0.789) 6.339 91.401 ( 11.280 14.820 -12.998) 22.712 91.775 ( 13.164 -12.155 -18.278) 25.595 ======================= Grid point 118 (44/196) ======================= q-point: ( 0.30 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( 14.250 -7.049 -0.692) 15.913 2.656 ( 20.831 -3.371 13.737) 25.179 3.216 ( 12.029 8.089 2.749) 14.755 3.872 ( 13.411 0.079 -0.508) 13.420 3.938 ( 7.947 4.094 -4.623) 10.064 4.064 ( 16.403 -4.619 0.705) 17.055 4.485 ( 12.841 -10.555 -1.717) 16.711 4.919 ( 19.853 -17.551 -3.135) 26.684 5.534 ( -1.177 1.584 14.157) 14.294 5.848 ( -0.378 16.701 -14.586) 22.177 6.013 ( -6.264 2.970 2.227) 7.282 6.824 ( -1.287 -4.331 3.902) 5.970 7.030 ( 8.083 -4.213 -8.897) 12.737 7.181 ( -0.495 -8.125 7.380) 10.988 8.000 ( -10.080 -1.578 2.744) 10.566 8.286 ( -3.783 1.385 -4.669) 6.167 9.220 ( 9.820 4.648 4.952) 11.940 9.653 ( -0.460 5.684 -6.579) 8.707 10.122 ( -1.510 -6.537 -6.329) 9.223 10.263 ( -9.071 -1.592 12.042) 15.161 10.595 ( 4.326 5.470 -6.924) 9.827 11.080 ( -6.452 6.476 3.137) 9.665 11.506 ( -5.783 -0.236 -4.038) 7.057 11.553 ( 1.294 0.298 3.776) 4.003 12.147 ( -1.255 0.973 0.914) 1.832 12.248 ( -2.318 1.568 -1.115) 3.013 14.906 ( 3.729 -1.222 -4.180) 5.734 15.282 ( -4.835 -0.332 3.179) 5.796 17.735 ( -1.443 5.259 1.300) 5.606 18.048 ( 2.383 -2.319 -1.464) 3.633 18.088 ( -2.077 -0.509 2.033) 2.950 18.362 ( 4.293 0.697 -0.291) 4.359 19.027 ( 8.548 -1.093 0.224) 8.620 19.165 ( 4.685 -3.621 -2.593) 6.464 22.651 ( -3.055 0.001 -4.145) 5.149 22.957 ( -4.658 1.305 9.305) 10.487 28.985 ( 0.019 0.757 1.083) 1.322 29.035 ( -0.161 0.575 0.459) 0.753 29.246 ( -0.034 -1.264 -9.579) 9.662 29.847 ( -14.761 -4.849 -17.068) 23.080 30.312 ( -2.013 0.759 3.503) 4.110 30.637 ( -0.479 1.290 -3.280) 3.557 30.956 ( -1.563 -1.858 6.980) 7.390 32.204 ( 4.777 12.463 -0.000) 13.348 32.948 ( 11.183 17.625 1.960) 20.965 34.097 ( 3.861 -12.795 -11.743) 17.791 34.705 ( 1.635 -3.773 2.432) 4.778 35.814 ( -8.746 -0.285 11.986) 14.840 46.101 ( 2.280 -1.626 0.574) 2.858 46.516 ( 3.900 -0.891 -0.428) 4.023 91.044 ( -1.354 -0.482 2.019) 2.478 91.230 ( -4.553 1.754 -3.755) 6.157 91.346 ( 18.704 10.746 -1.251) 21.607 91.971 ( 9.698 -8.342 -8.721) 15.482 ======================= Grid point 119 (45/196) ======================= q-point: ( 0.40 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( 12.267 -3.329 -5.369) 13.798 2.987 ( 9.426 1.101 5.209) 10.825 3.210 ( 7.886 15.042 -0.902) 17.008 3.890 ( 3.434 1.174 -10.118) 10.749 4.075 ( 7.220 5.801 -2.673) 9.640 4.203 ( 8.467 -4.827 0.701) 9.771 4.756 ( 4.871 -4.406 -2.263) 6.947 5.342 ( 13.828 -0.869 4.023) 14.427 5.568 ( 0.713 8.308 -9.026) 12.288 5.740 ( 13.360 -7.757 5.820) 16.509 5.959 ( -3.762 -0.027 9.236) 9.973 6.718 ( -24.805 4.858 13.271) 28.549 7.066 ( -2.173 -9.658 -15.251) 18.183 7.264 ( -0.602 -2.323 4.201) 4.838 8.039 ( 8.814 -1.412 0.121) 8.927 8.200 ( -3.942 -2.252 -1.299) 4.722 9.288 ( 4.253 8.403 5.659) 10.987 9.563 ( 0.443 0.608 -6.187) 6.233 10.056 ( -6.828 -1.806 -7.047) 9.977 10.244 ( -2.906 -1.785 3.362) 4.789 10.616 ( 7.112 -0.086 -1.831) 7.344 10.924 ( -6.979 6.241 6.314) 11.293 11.277 ( -10.947 -0.365 -9.070) 14.221 11.745 ( 8.039 -0.956 7.839) 11.269 12.154 ( 3.173 1.008 3.153) 4.586 12.192 ( -1.637 0.858 -0.781) 2.006 14.965 ( 6.814 -1.107 -5.320) 8.716 15.247 ( -2.672 1.061 3.399) 4.451 17.658 ( -1.264 4.071 0.199) 4.267 18.052 ( 4.165 2.921 -4.259) 6.635 18.123 ( -5.807 -5.991 6.970) 10.872 18.397 ( 1.807 0.907 -0.216) 2.034 19.118 ( 2.381 -2.084 -2.315) 3.920 19.203 ( -4.965 -2.598 1.407) 5.777 22.602 ( -0.343 -1.033 -3.538) 3.702 22.932 ( -4.567 0.993 7.781) 9.076 28.932 ( -0.457 2.234 -4.528) 5.069 29.061 ( -0.650 -0.459 2.351) 2.482 29.256 ( 5.095 -1.961 -3.464) 6.466 29.572 ( -17.046 -9.468 -16.901) 25.804 30.280 ( -2.882 0.694 0.703) 3.047 30.605 ( 1.741 1.141 -3.407) 3.993 31.020 ( -2.140 -2.930 9.442) 10.115 32.115 ( 4.151 13.060 2.163) 13.874 32.917 ( 6.766 12.189 3.651) 14.411 34.148 ( 1.105 -2.957 -7.796) 8.411 34.859 ( 7.331 -9.035 -5.010) 12.668 35.750 ( -10.427 1.027 11.653) 15.670 46.151 ( 1.344 -1.059 0.527) 1.791 46.576 ( 4.022 0.642 -0.388) 4.091 91.042 ( -6.317 -3.473 4.364) 8.426 91.067 ( -5.820 2.765 -5.356) 8.378 91.427 ( 8.982 7.580 -3.930) 12.393 92.160 ( 6.207 -5.836 2.076) 8.769 ======================= Grid point 120 (46/196) ======================= q-point: (-0.50 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.703 ( 1.816 3.206 -12.866) 13.383 2.888 ( 0.025 15.443 -1.416) 15.508 3.205 ( 11.805 12.407 0.147) 17.126 3.872 ( 3.685 1.709 -6.252) 7.455 3.936 ( -6.065 9.107 -3.305) 11.430 4.391 ( 3.218 1.783 -0.674) 3.740 4.780 ( 5.647 0.081 -2.084) 6.020 5.325 ( 4.031 11.275 -1.295) 12.044 5.638 ( 3.908 -2.090 4.095) 6.034 6.013 ( -3.359 -6.516 11.654) 13.768 6.093 ( 8.092 -7.979 0.921) 11.401 6.189 ( -37.386 11.247 11.291) 40.640 7.053 ( 0.544 -8.887 -17.433) 19.575 7.266 ( -1.288 2.933 0.846) 3.313 8.182 ( 7.979 1.674 0.736) 8.186 8.231 ( -0.014 -6.758 1.462) 6.915 9.264 ( 1.841 6.195 5.145) 8.261 9.516 ( -3.298 -0.463 -3.994) 5.200 9.907 ( -5.392 2.071 -5.721) 8.130 10.269 ( 2.436 -2.541 -3.779) 5.164 10.689 ( -8.181 -3.048 5.659) 10.404 10.882 ( 7.439 1.140 1.548) 7.683 11.103 ( -5.556 -0.957 -2.601) 6.209 11.855 ( 0.256 -1.835 1.264) 2.243 12.174 ( -0.334 -1.411 -0.106) 1.454 12.294 ( 11.365 1.858 7.300) 13.634 15.059 ( 8.821 -0.415 -4.619) 9.965 15.228 ( 0.790 2.268 2.204) 3.259 17.606 ( 0.450 2.567 -0.781) 2.721 18.053 ( 3.629 1.828 -3.626) 5.446 18.151 ( -6.985 -5.282 7.619) 11.608 18.386 ( -0.989 1.730 0.175) 2.000 19.098 ( -12.549 -0.464 1.076) 12.604 19.123 ( -5.481 -4.765 -1.832) 7.490 22.614 ( 2.370 -1.890 -3.016) 4.276 22.923 ( -3.027 -0.668 6.823) 7.494 28.879 ( 0.708 1.609 -3.224) 3.672 29.023 ( -5.319 -1.479 -5.341) 7.681 29.324 ( -7.635 -8.671 -13.747) 17.957 29.407 ( 0.680 -5.925 1.926) 6.267 30.220 ( -4.053 0.637 -0.544) 4.139 30.612 ( 4.365 1.099 -3.273) 5.566 31.094 ( -3.095 -3.438 9.749) 10.791 32.030 ( 2.733 11.499 3.099) 12.219 32.885 ( 3.280 9.755 4.439) 11.208 34.126 ( 4.118 1.755 -10.100) 11.047 35.042 ( 5.894 -9.898 -6.122) 13.045 35.659 ( -11.311 1.066 12.665) 17.014 46.172 ( -0.103 0.202 0.862) 0.891 46.611 ( 3.816 2.622 -0.646) 4.675 90.875 ( -11.921 -0.431 -2.786) 12.250 91.046 ( -6.909 -5.558 3.813) 9.652 91.388 ( 2.531 6.194 -4.697) 8.175 92.317 ( 2.219 -4.106 5.508) 7.219 ======================= Grid point 121 (47/196) ======================= q-point: (-0.40 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( -14.222 16.954 -12.269) 25.303 2.779 ( 10.704 21.087 -4.296) 24.035 3.159 ( 1.166 13.679 3.327) 14.126 3.660 ( -12.162 7.016 -2.360) 14.238 3.833 ( 0.626 5.699 -2.091) 6.102 4.207 ( -7.698 13.490 -1.564) 15.610 4.905 ( 3.484 5.232 3.013) 6.971 5.271 ( 4.018 3.359 -1.199) 5.373 5.465 ( -36.996 12.900 6.937) 39.790 5.694 ( 1.296 -0.823 -3.677) 3.985 6.155 ( 0.679 -4.305 6.656) 7.955 6.299 ( 0.406 -10.057 5.203) 11.330 7.042 ( 3.642 -0.700 -11.948) 12.510 7.197 ( -2.552 0.443 -2.819) 3.828 8.234 ( 3.742 3.102 1.369) 5.050 8.366 ( 2.403 -7.409 0.655) 7.817 9.245 ( -2.593 7.529 5.617) 9.745 9.434 ( -5.171 -5.424 -3.702) 8.358 9.779 ( -1.703 3.687 -3.583) 5.416 10.325 ( 6.458 -3.297 -8.691) 11.319 10.582 ( -12.857 -0.283 8.119) 15.208 10.938 ( -1.757 -3.874 -4.645) 6.299 11.206 ( 8.664 -4.535 7.111) 12.091 11.869 ( -1.263 -3.141 -1.058) 3.546 12.214 ( 1.060 -3.881 -0.012) 4.023 12.506 ( 13.507 3.110 6.621) 15.360 15.136 ( 3.544 2.317 0.999) 4.350 15.284 ( 11.256 1.391 -2.804) 11.683 17.599 ( 2.747 1.138 -1.042) 3.151 18.054 ( 2.258 1.198 -3.318) 4.189 18.160 ( -7.435 -4.585 7.078) 11.243 18.329 ( -3.371 2.683 1.014) 4.426 18.866 ( -16.219 2.051 -1.495) 16.416 19.053 ( -14.360 -8.864 -0.136) 16.875 22.662 ( 3.402 -1.544 -2.857) 4.703 22.970 ( -1.740 -4.112 7.788) 8.977 28.828 ( -13.289 -4.789 -9.064) 16.784 28.885 ( -0.386 -2.673 -7.854) 8.305 29.236 ( -5.947 -7.125 -5.725) 10.904 29.579 ( 8.030 -3.713 3.519) 9.521 30.136 ( -5.031 1.160 -0.638) 5.202 30.655 ( 6.199 1.261 -3.056) 7.026 31.146 ( -4.879 -3.097 8.500) 10.278 31.954 ( 1.276 8.563 2.792) 9.097 32.824 ( 0.071 9.387 4.571) 10.441 34.083 ( 8.382 5.531 -14.714) 17.814 35.188 ( 3.441 -8.902 -5.827) 11.182 35.593 ( -11.604 -1.967 16.395) 20.182 46.156 ( -1.485 1.675 1.482) 2.685 46.614 ( 3.538 4.376 -1.182) 5.750 90.679 ( -12.856 -1.346 -2.544) 13.175 91.023 ( -14.693 -10.671 4.711) 18.760 91.303 ( 0.907 5.677 -3.143) 6.552 92.407 ( -1.949 -4.061 4.408) 6.302 ======================= Grid point 122 (48/196) ======================= q-point: (-0.30 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( -15.257 22.192 -3.181) 27.118 2.496 ( 1.215 36.832 0.440) 36.854 2.880 ( -21.053 11.965 4.541) 24.638 3.448 ( -3.194 7.339 1.434) 8.132 3.684 ( -8.765 13.415 5.407) 16.912 3.909 ( -4.753 13.263 1.553) 14.175 4.518 ( -23.466 21.935 -0.146) 32.122 4.981 ( -5.718 16.373 -2.754) 17.560 5.432 ( 5.982 -9.355 -0.957) 11.145 5.689 ( 1.882 -5.507 -11.269) 12.683 6.257 ( 3.302 -1.628 2.828) 4.643 6.463 ( -4.971 -12.446 9.169) 16.239 6.996 ( 4.187 7.327 -3.601) 9.175 7.171 ( 0.088 -3.764 -4.979) 6.242 8.263 ( 3.836 2.187 -0.353) 4.430 8.455 ( -0.490 -3.813 0.545) 3.883 9.023 ( -15.632 5.365 -0.977) 16.556 9.461 ( -1.493 -4.763 -1.215) 5.137 9.745 ( 5.922 4.037 1.644) 7.354 10.398 ( 4.124 0.763 -10.683) 11.476 10.480 ( -7.684 -6.740 7.087) 12.437 10.933 ( -1.534 -3.769 -3.156) 5.150 11.415 ( 2.298 -5.290 6.272) 8.521 11.915 ( 1.610 -5.631 -0.784) 5.909 12.294 ( 1.496 -5.192 -0.033) 5.403 12.708 ( 14.209 3.486 2.826) 14.901 15.136 ( 1.906 5.731 3.219) 6.844 15.465 ( 16.144 -0.285 -4.077) 16.653 17.645 ( 4.794 0.080 0.161) 4.797 18.039 ( -0.992 -0.061 -2.161) 2.379 18.141 ( -7.319 -2.934 4.237) 8.951 18.238 ( -4.661 3.567 2.487) 6.374 18.570 ( -14.945 2.815 -3.785) 15.672 18.912 ( -23.155 -12.692 0.415) 26.408 22.707 ( 3.203 -0.769 -2.105) 3.909 23.080 ( -3.910 -8.714 10.041) 13.858 28.543 ( -21.264 -8.874 -16.231) 28.185 28.910 ( 2.138 -1.795 -1.280) 3.071 29.219 ( -1.866 -3.265 -2.327) 4.422 29.767 ( 7.401 -4.141 0.847) 8.523 30.039 ( -4.564 2.355 1.656) 5.396 30.712 ( 6.483 1.788 -2.894) 7.321 31.140 ( -7.562 -1.768 6.532) 10.148 31.894 ( 0.380 4.988 1.141) 5.131 32.711 ( -2.758 10.145 4.013) 11.253 34.017 ( 13.514 10.317 -21.045) 27.054 35.298 ( 2.363 -7.868 -3.585) 8.963 35.616 ( -13.027 -8.722 21.936) 26.963 46.111 ( -2.300 2.849 2.123) 4.232 46.592 ( 3.437 5.328 -2.000) 6.648 90.495 ( -11.038 -1.118 -2.181) 11.307 90.920 ( -26.956 -16.537 3.640) 31.833 91.243 ( 2.244 5.562 -0.105) 5.998 92.420 ( -6.051 -4.367 0.139) 7.463 ======================= Grid point 123 (49/196) ======================= q-point: (-0.20 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( -10.808 22.959 13.753) 28.863 1.914 ( -21.361 35.403 13.307) 43.437 2.346 ( -17.123 30.772 5.751) 35.682 3.129 ( -22.009 26.544 16.697) 38.311 3.495 ( 2.035 4.495 0.405) 4.951 3.807 ( 4.652 9.692 1.325) 10.832 3.975 ( -10.835 13.967 -6.461) 18.821 4.675 ( -0.768 19.558 -4.987) 20.198 5.589 ( 2.223 -7.318 -0.361) 7.656 5.776 ( 8.323 -9.892 -12.167) 17.753 6.327 ( 2.551 -0.524 0.568) 2.665 6.589 ( -6.808 -11.915 6.532) 15.198 6.957 ( 4.234 6.684 0.911) 7.964 7.191 ( 2.278 -0.006 -4.080) 4.673 8.263 ( -0.180 0.425 -3.734) 3.762 8.493 ( 0.611 -0.056 2.463) 2.538 8.692 ( -15.277 4.763 -0.623) 16.014 9.456 ( -1.457 -1.159 -1.903) 2.663 9.867 ( 10.940 2.074 4.305) 11.938 10.262 ( -8.910 2.107 -1.977) 9.367 10.617 ( 6.791 -8.024 -5.149) 11.705 10.937 ( -1.125 -3.676 -3.011) 4.883 11.504 ( -3.250 -4.299 6.169) 8.191 12.035 ( 2.584 -7.163 0.206) 7.618 12.378 ( 0.776 -5.311 -0.557) 5.396 12.853 ( 8.253 1.570 -6.117) 10.392 15.103 ( 2.840 8.489 2.882) 9.404 15.686 ( 14.780 -1.164 -4.500) 15.494 17.743 ( 4.444 -1.480 4.339) 6.384 17.933 ( -14.752 -2.008 0.179) 14.889 18.099 ( 1.950 2.944 -0.886) 3.641 18.172 ( -3.000 0.390 3.091) 4.325 18.341 ( -9.045 0.872 -2.766) 9.498 18.668 ( -29.351 -11.459 -1.890) 31.565 22.751 ( 2.847 -0.523 -0.172) 2.900 23.185 ( -13.086 -13.595 11.170) 21.928 28.243 ( -11.646 -1.747 -4.962) 12.779 28.961 ( 1.687 -2.208 0.209) 2.787 29.213 ( 0.036 -0.063 -1.934) 1.935 29.850 ( 0.238 -1.440 -6.468) 6.631 30.033 ( 2.105 0.054 9.153) 9.392 30.752 ( 5.128 2.695 -2.806) 6.437 31.061 ( -9.526 -0.217 4.428) 10.507 31.850 ( -0.370 2.167 -1.727) 2.796 32.556 ( -3.443 10.140 3.544) 11.280 33.911 ( 19.456 17.108 -28.435) 38.468 35.417 ( 0.700 -8.557 0.353) 8.593 35.741 ( -17.364 -18.219 27.242) 37.089 46.052 ( -2.252 3.308 2.486) 4.711 46.555 ( 3.241 5.312 -3.463) 7.121 90.361 ( -5.904 -0.617 -1.581) 6.143 90.663 ( -39.420 -17.167 1.894) 43.038 91.217 ( 1.279 4.581 2.281) 5.275 92.317 ( -8.654 -0.455 -8.199) 11.930 ======================= Grid point 124 (50/196) ======================= q-point: (-0.10 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 1.103 18.373 27.945) 33.461 1.286 ( -18.919 29.712 23.917) 42.577 1.773 ( 0.739 46.288 19.254) 50.138 2.631 ( -12.760 22.551 13.632) 29.278 3.508 ( 3.422 3.445 1.393) 5.051 3.602 ( -3.336 8.568 -5.767) 10.854 3.899 ( 6.416 4.014 2.321) 7.916 4.415 ( 3.713 18.396 -4.391) 19.274 5.803 ( 10.308 -12.411 1.757) 16.228 5.974 ( 10.081 -10.910 -9.187) 17.466 6.357 ( 0.332 -1.159 -2.235) 2.540 6.651 ( -6.880 -9.348 1.940) 11.767 6.960 ( 4.786 6.341 1.501) 8.085 7.105 ( -7.015 5.210 -6.743) 11.037 8.226 ( 2.579 -0.444 -2.994) 3.976 8.418 ( -0.112 0.659 -2.290) 2.385 8.698 ( 12.269 1.427 14.136) 18.772 9.442 ( -1.699 -0.330 0.471) 1.794 10.061 ( 12.298 -0.363 1.174) 12.359 10.091 ( -5.520 1.619 -1.427) 5.926 10.766 ( 9.387 -2.257 -4.780) 10.773 10.948 ( 0.975 -3.244 -6.310) 7.162 11.550 ( -6.295 -6.111 9.043) 12.600 12.148 ( 0.290 -5.899 0.837) 5.965 12.433 ( -0.888 -4.103 -1.305) 4.397 12.679 ( -19.073 5.409 -16.838) 26.011 15.046 ( 0.154 7.759 2.463) 8.142 15.798 ( 2.577 0.831 -6.834) 7.351 17.690 ( -18.834 -5.555 4.328) 20.107 17.892 ( 1.313 0.489 3.983) 4.222 18.084 ( 1.261 2.816 -0.658) 3.155 18.179 ( -7.997 1.031 0.741) 8.097 18.222 ( 11.803 -0.984 -0.868) 11.876 18.421 ( -2.543 2.023 -2.704) 4.228 22.806 ( 2.348 -0.485 2.490) 3.456 23.127 ( -23.153 -9.266 6.959) 25.891 28.539 ( 36.943 -13.705 20.876) 44.592 29.027 ( 2.858 -2.003 1.742) 3.901 29.239 ( 13.436 -0.879 -0.223) 13.467 29.795 ( -2.064 -0.310 -5.705) 6.075 30.148 ( 1.563 -1.439 8.470) 8.732 30.745 ( 1.518 3.607 -2.459) 4.622 30.956 ( -6.666 -0.021 2.240) 7.033 31.808 ( 0.552 -1.019 -3.744) 3.919 32.443 ( 0.187 6.712 4.218) 7.930 33.741 ( 25.630 27.080 -34.423) 50.746 35.511 ( -11.183 -12.368 8.174) 18.570 35.886 ( -26.247 -20.570 23.419) 40.750 46.003 ( -1.340 2.823 2.477) 3.988 46.492 ( 1.309 5.634 -5.174) 7.761 90.267 ( -18.659 -2.116 1.881) 18.873 90.333 ( 1.527 -0.274 -0.514) 1.634 91.191 ( -0.446 3.721 3.289) 4.986 92.061 ( -3.780 10.577 -14.377) 18.245 ======================= Grid point 127 (51/196) ======================= q-point: ( 0.20 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( 17.197 0.000 0.765) 17.214 2.638 ( 24.985 0.000 18.464) 31.067 3.316 ( 15.839 0.000 1.600) 15.919 3.893 ( 20.597 0.000 11.553) 23.616 3.937 ( 6.664 0.000 -9.738) 11.800 4.155 ( 28.275 0.000 -5.986) 28.902 4.354 ( 8.644 0.000 7.397) 11.376 4.536 ( 17.728 0.000 -10.841) 20.781 5.569 ( -2.906 -0.000 15.076) 15.354 6.037 ( -8.490 -0.000 3.466) 9.170 6.218 ( 9.022 0.000 -20.929) 22.791 6.583 ( -6.074 -0.000 -13.367) 14.682 6.992 ( 3.185 0.000 8.829) 9.386 7.106 ( 6.172 0.000 8.096) 10.180 7.975 ( -12.085 -0.000 4.733) 12.979 8.306 ( -4.854 -0.000 -5.373) 7.241 9.275 ( 11.122 0.000 4.446) 11.978 9.801 ( -1.397 -0.000 -15.610) 15.673 9.973 ( -1.644 -0.000 3.443) 3.815 10.229 ( -11.459 -0.000 15.123) 18.974 10.674 ( 3.668 0.000 -9.868) 10.527 11.181 ( -4.802 -0.000 1.819) 5.135 11.502 ( -10.887 -0.000 -9.546) 14.479 11.557 ( 4.420 0.000 8.160) 9.281 12.160 ( -1.903 -0.000 1.246) 2.275 12.271 ( -2.431 -0.000 -1.448) 2.830 14.891 ( 4.157 0.000 -4.212) 5.918 15.278 ( -3.796 -0.000 3.587) 5.222 17.886 ( -3.169 -0.000 8.509) 9.080 17.889 ( -1.970 -0.000 -0.657) 2.077 18.146 ( 3.271 0.000 -4.638) 5.675 18.362 ( 3.297 0.000 -1.307) 3.546 19.003 ( 7.621 0.000 5.556) 9.432 19.111 ( 6.266 0.000 -8.023) 10.181 22.650 ( -3.884 -0.000 -4.089) 5.640 22.974 ( -5.417 -0.000 10.175) 11.527 28.992 ( 0.472 0.000 4.396) 4.421 29.048 ( -0.757 -0.000 -1.460) 1.644 29.225 ( -0.214 -0.000 -11.297) 11.299 29.781 ( -16.480 -0.000 -17.702) 24.186 30.323 ( -2.021 -0.000 3.612) 4.139 30.654 ( -0.810 -0.000 -3.966) 4.048 30.930 ( -2.049 -0.000 7.006) 7.300 32.337 ( 0.759 0.000 -1.591) 1.763 33.497 ( 15.468 0.000 -6.708) 16.860 33.656 ( 8.535 0.000 -9.765) 12.969 34.675 ( -4.529 -0.000 8.384) 9.529 35.796 ( -8.754 -0.000 12.199) 15.015 46.080 ( 3.227 0.000 0.110) 3.229 46.504 ( 4.920 0.000 0.040) 4.920 91.036 ( -4.203 -0.000 2.859) 5.083 91.228 ( -0.084 -0.000 -1.414) 1.416 91.643 ( 11.482 0.000 9.146) 14.680 91.742 ( 15.767 0.000 -26.142) 30.529 ======================= Grid point 128 (52/196) ======================= q-point: ( 0.30 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.551 ( 19.235 -1.589 -4.590) 19.839 3.043 ( 14.069 2.038 10.500) 17.673 3.502 ( 12.011 5.909 1.568) 13.477 3.939 ( 6.291 1.954 -10.343) 12.263 4.092 ( 7.103 -2.084 -0.868) 7.453 4.381 ( 14.971 16.118 1.837) 22.075 4.568 ( 13.181 -6.238 1.108) 14.625 5.002 ( 25.409 -18.801 -7.318) 32.445 5.674 ( 1.478 0.647 16.631) 16.709 5.952 ( -3.691 7.103 3.664) 8.803 6.046 ( 4.621 14.027 -13.903) 20.283 6.551 ( -1.207 -17.658 -17.704) 25.034 6.890 ( -29.643 -0.172 16.398) 33.876 7.277 ( 7.545 0.523 9.504) 12.146 7.979 ( 7.245 -1.960 1.870) 7.735 8.170 ( -7.605 -0.423 -4.635) 8.916 9.457 ( 8.258 3.334 6.424) 10.981 9.619 ( -2.079 3.474 -14.146) 14.714 9.972 ( -4.728 -3.457 -1.168) 5.972 10.158 ( -12.510 -2.991 12.952) 18.254 10.677 ( 9.191 2.515 -10.288) 14.023 11.063 ( -8.941 3.531 3.567) 10.254 11.270 ( -10.092 -0.218 -10.159) 14.322 11.726 ( 7.467 -0.434 6.639) 10.002 12.172 ( 3.155 0.329 3.258) 4.547 12.217 ( -2.551 0.736 -1.387) 2.995 14.946 ( 7.423 -0.402 -4.909) 8.908 15.270 ( -1.020 0.582 4.117) 4.282 17.783 ( -3.699 5.871 3.483) 7.764 17.953 ( -5.669 -6.975 6.919) 11.343 18.146 ( 4.327 3.298 -4.852) 7.290 18.391 ( 1.408 -1.049 -1.856) 2.555 19.086 ( -0.323 -0.146 -1.894) 1.927 19.122 ( -2.806 -2.915 1.010) 4.171 22.580 ( -1.980 -0.557 -3.342) 3.924 22.950 ( -6.194 0.378 8.551) 10.565 28.990 ( -0.726 2.241 -2.559) 3.478 29.038 ( -0.763 -1.391 0.710) 1.738 29.213 ( 4.932 -1.081 -3.216) 5.986 29.403 ( -18.881 -3.427 -17.341) 25.864 30.300 ( -2.635 0.540 0.701) 2.780 30.627 ( 1.756 0.492 -4.110) 4.497 30.964 ( -2.583 -1.242 9.491) 9.914 32.308 ( -0.814 2.807 -0.743) 3.015 33.399 ( 10.282 22.829 -1.477) 25.081 33.918 ( 6.575 -15.837 -8.267) 19.036 34.709 ( 2.209 -2.386 1.627) 3.636 35.741 ( -10.887 -0.886 11.408) 15.794 46.133 ( 3.294 -0.383 -0.321) 3.332 46.586 ( 5.633 0.184 0.368) 5.648 90.987 ( -7.143 -1.020 4.762) 8.645 91.104 ( -9.600 0.506 -4.879) 10.780 91.662 ( 8.681 8.960 -13.017) 18.030 91.996 ( 10.738 -6.671 6.983) 14.442 ======================= Grid point 129 (53/196) ======================= q-point: ( 0.40 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.777 ( 15.521 2.769 -9.135) 18.221 3.144 ( 3.250 5.255 0.430) 6.194 3.553 ( 8.694 10.493 0.052) 13.626 3.943 ( 8.416 4.579 -6.695) 11.688 4.233 ( 3.206 3.725 1.815) 5.239 4.368 ( 14.252 9.815 -2.290) 17.455 4.775 ( 5.891 -1.533 -1.913) 6.381 5.461 ( 11.509 -12.956 -1.969) 17.441 5.680 ( 0.364 13.803 -4.178) 14.426 5.892 ( 5.528 -1.244 6.905) 8.932 6.003 ( 1.630 1.283 6.983) 7.284 6.384 ( -40.891 4.325 16.521) 44.314 6.682 ( 1.150 -16.822 -19.976) 26.141 7.407 ( 4.594 4.856 6.360) 9.227 8.075 ( -4.549 -4.835 -1.034) 6.719 8.171 ( 9.390 -2.140 2.845) 10.043 9.401 ( -2.250 4.491 -7.737) 9.225 9.564 ( 0.368 3.307 1.743) 3.756 9.894 ( -7.143 -2.379 -3.665) 8.373 10.154 ( -7.447 -5.714 11.033) 14.485 10.713 ( 7.163 4.661 -7.525) 11.387 10.940 ( -2.929 1.759 1.379) 3.684 11.080 ( -6.987 -0.733 -4.780) 8.497 11.814 ( -0.859 -1.291 1.255) 1.994 12.163 ( -2.139 0.303 -1.222) 2.482 12.325 ( 12.407 0.659 5.815) 13.718 15.056 ( 11.292 0.027 -4.192) 12.045 15.285 ( 1.726 1.903 2.937) 3.902 17.691 ( -2.794 4.357 3.071) 6.019 17.996 ( -7.200 -6.570 7.736) 12.444 18.130 ( 4.259 3.823 -3.997) 6.980 18.400 ( -0.345 -0.831 -1.658) 1.886 18.998 ( -11.140 -3.600 -2.538) 11.979 19.078 ( -9.283 -1.625 1.902) 9.614 22.563 ( 0.734 -1.767 -2.487) 3.138 22.916 ( -4.899 -0.059 6.077) 7.806 28.927 ( -0.221 2.065 -4.159) 4.649 28.980 ( -11.791 -1.638 -10.193) 15.672 29.116 ( -8.323 -5.990 -6.361) 12.067 29.329 ( 7.033 -1.906 2.732) 7.782 30.245 ( -3.398 0.996 -0.222) 3.547 30.638 ( 4.853 0.856 -4.069) 6.390 31.018 ( -3.026 -2.376 9.658) 10.396 32.235 ( -2.233 4.350 -0.207) 4.894 33.267 ( 6.940 19.059 2.765) 20.471 34.085 ( 6.567 -6.157 -9.668) 13.210 34.817 ( 3.979 -6.587 -1.718) 7.885 35.659 ( -12.220 -0.808 10.693) 16.258 46.177 ( 2.522 0.185 -0.187) 2.536 46.664 ( 5.523 1.470 0.286) 5.722 90.872 ( -13.018 0.229 -0.084) 13.021 90.940 ( -10.118 -2.793 1.407) 10.590 91.561 ( 3.235 6.474 -10.674) 12.896 92.239 ( 5.933 -2.433 8.673) 10.787 ======================= Grid point 130 (54/196) ======================= q-point: (-0.50 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.696 ( -1.880 12.714 -12.168) 17.698 3.166 ( 12.782 10.372 0.194) 16.462 3.532 ( 6.083 7.671 -2.488) 10.102 3.924 ( -4.327 7.057 -3.375) 8.939 4.055 ( 7.514 22.063 -1.705) 23.370 4.492 ( 4.304 6.236 -0.335) 7.584 4.827 ( 5.199 -4.059 -1.166) 6.698 5.500 ( 0.909 10.037 -5.075) 11.284 5.626 ( -14.377 -0.031 0.922) 14.406 5.769 ( -22.808 3.455 14.722) 27.366 6.022 ( -4.523 -2.882 10.191) 11.516 6.161 ( 5.966 -2.553 1.037) 6.572 6.786 ( 4.631 -13.108 -16.041) 21.227 7.383 ( 1.338 8.230 0.907) 8.387 8.144 ( 1.053 -7.704 0.695) 7.807 8.312 ( 5.661 1.042 3.552) 6.764 9.305 ( -1.499 -2.543 -7.400) 7.967 9.463 ( -6.215 7.210 3.033) 9.991 9.793 ( -7.082 -2.565 -1.972) 7.785 10.220 ( -2.759 -5.452 7.140) 9.397 10.621 ( -4.758 4.275 -1.830) 6.653 10.883 ( -1.988 -0.331 -6.458) 6.765 11.117 ( 7.207 -2.776 3.862) 8.635 11.797 ( -3.546 -2.432 -0.638) 4.347 12.140 ( -0.968 -1.773 -0.812) 2.177 12.553 ( 13.454 0.847 3.546) 13.939 15.207 ( 12.632 2.670 -1.160) 12.963 15.331 ( 7.418 2.125 -0.198) 7.718 17.641 ( -0.711 2.436 2.476) 3.546 18.010 ( -8.370 -5.291 6.683) 11.946 18.126 ( 3.945 2.751 -2.437) 5.392 18.372 ( -2.264 0.498 -1.137) 2.582 18.823 ( -18.761 -5.906 0.438) 19.673 18.913 ( -15.000 -1.272 -1.566) 15.135 22.604 ( 2.590 -2.666 -1.905) 4.177 22.903 ( -2.998 -1.434 4.499) 5.594 28.675 ( -17.693 -4.950 -14.458) 23.379 28.889 ( 0.478 1.336 -1.840) 2.323 29.111 ( -1.078 -3.792 -0.753) 4.013 29.494 ( 7.403 -2.854 3.504) 8.674 30.174 ( -3.948 1.542 0.514) 4.269 30.688 ( 7.254 1.277 -3.888) 8.329 31.067 ( -3.769 -2.922 7.843) 9.179 32.131 ( -3.620 4.745 -0.147) 5.970 33.156 ( 4.051 16.156 4.723) 17.313 34.157 ( 9.172 -0.151 -12.481) 15.490 34.950 ( 2.441 -8.713 -2.611) 9.418 35.560 ( -12.790 -1.009 11.289) 17.089 46.197 ( 1.288 1.438 0.490) 1.991 46.712 ( 4.760 3.190 -0.228) 5.735 90.662 ( -12.923 -0.067 -1.783) 13.046 90.823 ( -15.783 -5.274 3.514) 17.008 91.457 ( 2.132 5.772 -6.415) 8.889 92.365 ( 1.652 -0.306 6.007) 6.238 ======================= Grid point 131 (55/196) ======================= q-point: (-0.40 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.333 ( -7.391 20.468 -5.219) 22.379 3.187 ( 12.546 16.436 -3.096) 20.907 3.450 ( -10.871 29.377 2.110) 31.395 3.540 ( -6.036 0.877 1.233) 6.222 3.987 ( 8.197 13.518 -2.876) 16.069 4.323 ( -1.502 16.903 0.349) 16.974 4.981 ( -7.352 4.230 5.326) 10.015 5.147 ( -14.230 -1.512 -0.967) 14.343 5.374 ( -0.323 10.675 -3.998) 11.404 5.652 ( -4.582 3.067 -2.779) 6.175 6.134 ( -2.351 -8.967 9.026) 12.938 6.260 ( 0.557 -2.140 5.795) 6.203 6.928 ( 7.448 -9.745 -10.147) 15.919 7.284 ( 1.313 9.285 -1.860) 9.560 8.235 ( 0.124 -4.346 -1.493) 4.598 8.412 ( 6.337 1.107 4.415) 7.802 9.154 ( -14.990 1.847 -6.237) 16.341 9.388 ( 2.052 1.055 2.273) 3.239 9.746 ( -3.701 -4.238 1.708) 5.880 10.305 ( -0.309 -4.814 4.410) 6.536 10.475 ( -5.039 2.991 -4.369) 7.309 10.840 ( -1.757 -2.796 -3.176) 4.582 11.298 ( 5.826 -3.483 3.994) 7.876 11.787 ( -2.157 -4.254 -0.553) 4.802 12.168 ( 0.149 -4.232 -0.476) 4.261 12.743 ( 10.865 0.087 -0.508) 10.878 15.317 ( 10.165 7.223 2.423) 12.703 15.470 ( 14.335 0.776 -3.711) 14.828 17.647 ( 1.351 0.365 2.678) 3.022 17.969 ( -10.764 -4.163 4.215) 12.287 18.140 ( 3.805 2.109 -1.321) 4.547 18.305 ( -4.299 1.454 0.117) 4.540 18.601 ( -18.544 -2.661 0.349) 18.737 18.665 ( -19.642 -5.067 -2.538) 20.443 22.667 ( 2.842 -2.425 -1.559) 4.049 22.929 ( -2.467 -3.673 4.335) 6.194 28.392 ( -14.908 -3.691 -9.627) 18.126 28.884 ( 0.945 -0.228 -0.714) 1.206 29.145 ( 0.154 -2.996 -0.163) 3.004 29.661 ( 5.952 -3.990 1.580) 7.338 30.102 ( -3.570 2.390 2.831) 5.145 30.757 ( 7.885 1.764 -3.686) 8.881 31.084 ( -5.071 -2.481 5.126) 7.625 32.013 ( -4.103 3.778 -0.878) 5.646 33.036 ( 1.057 14.920 5.018) 15.777 34.193 ( 13.148 3.725 -16.653) 21.543 35.067 ( 0.135 -9.298 -1.843) 9.480 35.481 ( -12.874 -2.876 13.762) 19.063 46.186 ( 0.062 2.910 1.468) 3.259 46.721 ( 3.654 4.623 -1.108) 5.996 90.474 ( -10.543 -0.443 -1.453) 10.652 90.646 ( -20.289 -6.323 2.408) 21.388 91.390 ( 2.484 5.651 -1.845) 6.443 92.393 ( -1.114 0.736 1.837) 2.270 ======================= Grid point 132 (56/196) ======================= q-point: (-0.30 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( -6.056 24.535 5.404) 25.843 2.745 ( -26.099 30.052 8.634) 40.729 3.120 ( 14.035 26.392 -2.578) 30.003 3.529 ( 0.748 3.919 2.580) 4.751 3.810 ( -7.231 19.515 5.951) 21.646 4.146 ( 8.807 17.310 0.245) 19.424 4.477 ( -17.987 23.229 -1.725) 29.429 5.138 ( 0.949 14.865 -4.394) 15.530 5.322 ( 1.571 -12.665 -2.870) 13.081 5.585 ( 1.641 -3.483 -5.921) 7.063 6.273 ( -5.373 -11.669 7.064) 14.661 6.321 ( -1.020 -0.855 6.955) 7.081 7.081 ( 7.776 -3.472 -5.563) 10.171 7.187 ( 1.866 6.177 -1.426) 6.608 8.242 ( -1.341 -1.250 -2.781) 3.331 8.522 ( 5.496 1.726 3.143) 6.562 8.834 ( -13.685 5.301 -2.039) 14.817 9.422 ( 0.577 -0.968 -0.227) 1.149 9.825 ( 1.618 -6.200 4.500) 7.830 10.288 ( -12.533 -0.439 2.925) 12.877 10.451 ( 11.526 -3.650 -10.380) 15.935 10.839 ( -1.980 -3.524 -1.219) 4.222 11.412 ( -0.110 -2.851 4.190) 5.069 11.847 ( 0.630 -6.929 0.440) 6.972 12.234 ( 0.371 -5.619 -0.736) 5.679 12.847 ( 4.324 -0.914 -6.235) 7.643 15.367 ( 8.922 10.737 1.379) 14.028 15.651 ( 12.540 -0.939 -3.638) 13.091 17.696 ( -3.348 -2.158 6.496) 7.620 17.854 ( -10.063 -2.864 0.109) 10.463 18.165 ( 4.357 2.829 -0.830) 5.261 18.213 ( -5.550 1.391 0.605) 5.753 18.371 ( -10.427 0.782 -2.434) 10.736 18.458 ( -15.845 -6.386 0.228) 17.085 22.724 ( 2.449 -1.737 -0.492) 3.042 22.969 ( -4.697 -5.318 4.294) 8.293 28.219 ( -4.996 -0.480 0.249) 5.025 28.911 ( 1.185 -1.530 0.535) 2.008 29.181 ( 0.245 -2.221 -0.489) 2.288 29.770 ( 1.596 -4.169 -3.397) 5.610 30.070 ( -0.763 2.369 7.655) 8.049 30.816 ( 6.662 2.231 -3.598) 7.893 31.046 ( -6.923 -0.978 2.762) 7.517 31.907 ( -3.092 2.128 -2.683) 4.614 32.877 ( -1.682 14.587 4.289) 15.297 34.212 ( 17.651 7.494 -22.215) 29.347 35.164 ( -4.101 -10.074 1.861) 11.035 35.462 ( -11.270 -6.276 16.225) 20.728 46.150 ( -0.747 4.091 2.354) 4.779 46.690 ( 2.373 5.254 -2.269) 6.195 90.345 ( -6.298 -0.553 -0.727) 6.363 90.426 ( -18.855 -4.410 1.109) 19.396 91.353 ( 2.013 5.761 1.629) 6.316 92.343 ( -2.523 1.866 -3.196) 4.479 ======================= Grid point 133 (57/196) ======================= q-point: (-0.20 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 0.949 23.251 15.802) 28.128 2.130 ( -8.334 34.145 12.943) 37.455 2.932 ( 15.829 37.503 0.133) 40.707 3.278 ( -18.718 26.944 14.539) 35.886 3.603 ( 1.163 4.777 5.437) 7.330 3.948 ( -9.661 18.212 -6.246) 21.541 4.132 ( 12.612 14.172 -1.259) 19.013 4.909 ( 2.732 18.657 -4.237) 19.326 5.500 ( 3.200 -12.501 -0.724) 12.924 5.703 ( 9.059 -8.857 -8.250) 15.119 6.299 ( -8.914 -6.259 1.134) 10.951 6.411 ( -2.995 -6.663 8.771) 11.414 7.116 ( 3.180 5.803 2.053) 6.929 7.174 ( 1.616 0.692 -6.464) 6.699 8.221 ( 2.024 0.286 -2.228) 3.024 8.451 ( -6.855 1.538 -4.368) 8.273 8.781 ( 8.518 4.474 10.001) 13.878 9.427 ( -0.703 -0.792 -0.565) 1.200 9.987 ( 4.770 -6.147 3.473) 8.521 10.114 ( -10.047 0.430 -0.943) 10.100 10.645 ( 15.147 -7.205 -11.544) 20.362 10.843 ( -2.793 -3.171 -0.277) 4.235 11.440 ( -5.140 -2.713 5.615) 8.081 11.964 ( 0.777 -7.833 1.247) 7.970 12.300 ( -0.300 -5.826 -1.774) 6.097 12.754 ( -7.895 1.681 -13.303) 15.560 15.299 ( -0.618 11.120 0.065) 11.137 15.776 ( 3.480 -1.699 -4.038) 5.595 17.592 ( -12.798 -2.604 4.671) 13.870 17.892 ( 4.961 -0.662 3.871) 6.328 18.144 ( 0.846 0.297 -2.869) 3.006 18.190 ( 1.042 1.508 -0.851) 2.021 18.231 ( -2.445 1.150 0.761) 2.807 18.412 ( 3.040 -1.855 0.329) 3.576 22.782 ( 2.032 -1.483 1.637) 3.002 22.966 ( -7.805 -4.479 3.009) 9.488 28.357 ( 16.284 -3.247 14.566) 22.088 28.967 ( 2.039 -2.331 2.155) 3.773 29.203 ( 0.812 -2.003 -0.976) 2.372 29.762 ( -2.646 -2.477 -6.442) 7.391 30.129 ( 1.094 0.343 9.936) 10.002 30.839 ( 4.209 3.225 -3.939) 6.605 30.953 ( -7.440 -0.043 1.811) 7.658 31.822 ( -1.999 1.256 -5.080) 5.601 32.695 ( -2.262 12.729 3.573) 13.413 34.204 ( 22.031 11.725 -28.091) 37.576 35.188 ( -17.122 -10.637 10.394) 22.679 35.562 ( -3.767 -9.215 14.264) 17.394 46.100 ( -0.869 4.549 2.789) 5.406 46.626 ( 0.797 5.252 -3.494) 6.358 90.239 ( -6.048 -0.492 0.696) 6.108 90.326 ( 2.057 -0.308 -0.637) 2.175 91.319 ( 0.582 6.032 3.685) 7.092 92.226 ( -2.039 4.154 -8.481) 9.662 ======================= Grid point 134 (58/196) ======================= q-point: (-0.10 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 13.617 17.459 19.064) 29.218 1.858 ( 15.684 33.683 11.552) 38.910 2.640 ( 9.458 43.242 18.218) 47.867 2.878 ( 0.814 20.271 7.032) 21.472 3.587 ( -2.563 7.659 -1.132) 8.155 3.689 ( 5.972 5.274 0.182) 7.969 4.154 ( 12.026 11.109 0.341) 16.375 4.706 ( 5.532 19.122 -1.948) 20.001 5.695 ( -1.648 -12.875 -1.015) 13.020 5.921 ( 11.365 -10.606 -11.026) 19.058 6.236 ( -6.357 -5.647 -1.401) 8.618 6.459 ( -9.152 -6.670 2.657) 11.632 7.033 ( -2.178 6.856 -1.151) 7.285 7.152 ( 6.384 6.998 -1.881) 9.657 8.266 ( 2.539 -0.979 -0.669) 2.802 8.408 ( 4.006 -2.373 -3.201) 5.650 8.946 ( 3.955 -0.628 10.093) 10.858 9.438 ( 2.604 -1.103 0.629) 2.897 9.997 ( -1.208 0.476 -2.322) 2.660 10.175 ( 3.501 -6.059 6.976) 9.881 10.814 ( -5.475 -2.918 -2.545) 6.706 10.907 ( 18.426 -7.693 -12.607) 23.614 11.414 ( -10.826 -3.879 8.962) 14.580 12.060 ( -2.050 -5.923 0.893) 6.331 12.335 ( -2.504 -4.727 -5.503) 7.674 12.407 ( -12.250 8.171 -9.718) 17.643 15.099 ( -8.323 8.094 2.066) 11.792 15.708 ( -8.508 0.916 -3.250) 9.153 17.570 ( 2.757 -2.645 -0.947) 3.936 17.974 ( 5.577 1.840 -0.130) 5.874 18.100 ( -4.416 -1.462 2.151) 5.125 18.146 ( 0.377 3.112 0.883) 3.257 18.422 ( 16.539 -2.300 -1.596) 16.774 18.575 ( 18.730 0.261 -2.344) 18.878 22.846 ( 1.039 -1.448 4.150) 4.516 22.904 ( -6.988 -2.135 0.389) 7.317 28.834 ( 10.288 -6.258 6.991) 13.924 29.052 ( 1.257 -1.250 1.127) 2.100 29.477 ( 28.294 -20.600 10.254) 36.470 29.674 ( -5.261 -1.609 -8.470) 10.100 30.213 ( 0.300 -0.479 9.268) 9.285 30.772 ( -2.739 4.245 -2.648) 5.704 30.903 ( -0.859 -0.534 0.229) 1.037 31.754 ( -0.273 -1.833 -5.006) 5.338 32.575 ( 0.911 7.366 3.366) 8.149 34.158 ( 25.291 16.746 -32.955) 44.789 35.074 ( -28.649 -9.473 18.443) 35.364 35.735 ( -1.611 -6.779 11.727) 13.641 46.055 ( -0.259 4.064 2.625) 4.846 46.534 ( -0.243 5.270 -3.614) 6.395 90.346 ( 18.288 -4.277 -4.326) 19.273 90.448 ( 15.567 -1.291 -0.703) 15.636 91.269 ( -0.935 5.916 4.595) 7.549 92.066 ( 0.925 7.243 -12.346) 14.343 ======================= Grid point 138 (59/196) ======================= q-point: ( 0.30 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.820 ( 22.138 0.000 -6.488) 23.069 3.193 ( 0.842 0.000 -1.107) 1.390 3.697 ( 5.613 0.000 0.888) 5.683 4.061 ( 12.161 0.000 0.234) 12.163 4.122 ( 2.806 0.000 -2.199) 3.565 4.718 ( 11.811 0.000 1.266) 11.879 4.805 ( 16.043 0.000 1.169) 16.085 5.110 ( 19.224 0.000 -11.996) 22.660 5.797 ( -1.134 -0.000 12.850) 12.900 5.998 ( -3.239 -0.000 10.790) 11.266 6.119 ( -5.197 -0.000 -17.193) 17.962 6.325 ( 18.400 0.000 -18.491) 26.086 6.443 ( -45.224 -0.000 19.224) 49.141 7.469 ( 5.889 0.000 10.479) 12.021 8.011 ( -7.301 -0.000 -3.037) 7.907 8.130 ( 10.539 0.000 2.865) 10.922 9.467 ( -4.210 -0.000 -15.692) 16.247 9.621 ( 2.706 0.000 5.036) 5.717 9.850 ( -8.683 -0.000 -1.971) 8.904 10.065 ( -8.878 -0.000 14.513) 17.013 10.803 ( 15.147 0.000 -10.336) 18.338 10.950 ( -11.480 -0.000 3.326) 11.952 11.071 ( -7.150 -0.000 -7.641) 10.464 11.796 ( -1.341 -0.000 1.311) 1.875 12.171 ( -2.720 -0.000 -1.638) 3.175 12.332 ( 12.680 0.000 5.020) 13.637 15.056 ( 12.145 0.000 -3.701) 12.696 15.311 ( 1.961 0.000 3.421) 3.943 17.825 ( -1.619 -0.000 0.775) 1.795 17.832 ( -9.317 -0.000 11.841) 15.067 18.200 ( 4.046 0.000 -3.919) 5.633 18.371 ( -0.179 -0.000 -2.798) 2.803 18.950 ( -12.131 -0.000 -3.766) 12.702 19.053 ( -8.669 -0.000 3.140) 9.220 22.539 ( 0.070 0.000 -2.349) 2.350 22.915 ( -5.506 -0.000 6.016) 8.156 28.940 ( -12.506 -0.000 -13.580) 18.461 29.003 ( 0.193 0.000 -2.049) 2.058 29.011 ( -8.059 -0.000 -4.479) 9.220 29.304 ( 6.925 0.000 3.033) 7.560 30.259 ( -3.264 -0.000 -0.288) 3.277 30.650 ( 5.199 0.000 -4.428) 6.829 30.985 ( -3.115 -0.000 9.781) 10.265 32.283 ( -3.465 -0.000 -0.808) 3.558 33.686 ( -0.293 -0.000 -0.285) 0.409 33.846 ( 15.061 0.000 -9.128) 17.611 34.737 ( 2.337 0.000 1.034) 2.556 35.643 ( -11.840 -0.000 10.116) 15.573 46.180 ( 3.517 0.000 -0.578) 3.565 46.683 ( 6.173 0.000 0.644) 6.207 90.882 ( -11.470 -0.000 6.000) 12.945 90.900 ( -12.571 -0.000 -4.648) 13.403 91.657 ( 1.916 0.000 -15.446) 15.564 92.201 ( 8.108 0.000 12.604) 14.987 ======================= Grid point 139 (60/196) ======================= q-point: (-0.60 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.988 ( 8.396 10.466 -9.002) 16.158 3.216 ( 8.307 -5.609 -2.801) 10.407 3.704 ( 0.894 5.696 0.577) 5.795 4.069 ( 1.819 6.857 -2.390) 7.486 4.327 ( 8.888 -8.189 3.087) 12.473 4.771 ( 9.570 19.615 -1.283) 21.863 4.902 ( 9.457 7.596 -3.215) 12.549 5.384 ( 5.164 -13.466 -5.805) 15.547 5.764 ( -4.114 6.048 -0.566) 7.336 5.843 ( -30.328 3.030 9.881) 32.041 5.990 ( -8.376 -4.467 2.528) 9.823 6.096 ( 0.441 -0.469 8.572) 8.596 6.522 ( 13.490 -5.640 -13.022) 19.580 7.538 ( -0.707 3.415 3.784) 5.146 7.989 ( 2.246 -3.672 1.910) 4.709 8.308 ( 8.094 -0.790 4.456) 9.274 9.281 ( -4.694 0.147 -14.516) 15.257 9.611 ( -5.037 3.869 4.015) 7.514 9.700 ( -11.159 -3.286 -0.881) 11.666 10.099 ( -3.408 -2.984 12.464) 13.261 10.758 ( -8.188 4.739 -0.826) 9.496 10.885 ( -1.013 -0.155 -10.423) 10.473 11.053 ( 9.654 -1.994 1.049) 9.913 11.751 ( -4.789 -1.026 -0.242) 4.903 12.119 ( -2.435 -0.168 -1.484) 2.857 12.562 ( 13.548 0.060 1.170) 13.598 15.255 ( 17.080 0.965 -1.338) 17.159 15.376 ( 5.210 1.090 1.663) 5.577 17.729 ( -5.251 4.274 7.146) 9.844 17.871 ( -4.905 -5.262 5.749) 9.208 18.210 ( 3.693 3.050 -3.082) 5.696 18.353 ( -1.103 -1.592 -2.845) 3.442 18.698 ( -19.888 -2.935 -2.739) 20.289 18.893 ( -15.216 -0.477 1.647) 15.313 22.549 ( 1.970 -1.257 -1.501) 2.777 22.883 ( -3.462 -0.330 3.353) 4.831 28.594 ( -16.307 -1.544 -12.557) 20.639 28.938 ( -0.597 2.311 -1.601) 2.874 29.024 ( 0.053 -3.008 -0.931) 3.150 29.442 ( 6.650 -1.110 3.951) 7.815 30.203 ( -3.603 0.649 0.681) 3.724 30.716 ( 8.276 0.720 -4.588) 9.490 31.009 ( -3.591 -1.324 7.895) 8.773 32.200 ( -5.571 1.110 -1.175) 5.801 33.570 ( 1.691 13.902 1.310) 14.065 34.055 ( 11.239 -7.025 -10.412) 16.854 34.795 ( 1.895 -3.007 0.768) 3.636 35.537 ( -11.983 -0.608 9.068) 15.039 46.223 ( 2.957 0.567 -0.097) 3.013 46.769 ( 5.516 1.169 0.358) 5.650 90.671 ( -12.838 0.591 -2.851) 13.164 90.735 ( -15.259 -1.925 4.450) 16.011 91.569 ( 1.672 2.503 -9.720) 10.175 92.365 ( 2.973 0.079 8.782) 9.272 ======================= Grid point 140 (61/196) ======================= q-point: (-0.50 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.795 ( -0.952 15.639 -5.516) 16.611 3.422 ( 7.595 -3.255 1.773) 8.451 3.618 ( 2.102 9.510 -2.284) 10.004 3.920 ( -6.308 10.986 -1.829) 12.799 4.502 ( 6.683 17.892 0.963) 19.124 4.613 ( 0.684 1.272 1.097) 1.813 4.851 ( 2.789 5.123 -4.129) 7.147 5.264 ( -18.133 3.243 1.892) 18.517 5.589 ( -1.334 5.545 -5.281) 7.772 5.731 ( -1.830 -1.241 5.786) 6.194 5.995 ( -2.723 -1.953 0.169) 3.355 6.196 ( 0.236 -2.886 8.761) 9.227 6.682 ( 9.085 -7.389 -7.756) 14.046 7.484 ( 0.941 5.660 -1.588) 5.953 8.121 ( 5.310 -3.636 1.099) 6.529 8.448 ( 6.533 1.041 5.193) 8.410 9.117 ( -7.422 -2.384 -11.690) 14.051 9.488 ( -5.946 3.506 2.803) 7.450 9.595 ( -10.558 -5.000 3.191) 12.110 10.194 ( -1.410 -3.663 10.002) 10.745 10.567 ( -7.456 3.483 -3.799) 9.064 10.803 ( -1.153 -0.471 -6.268) 6.390 11.242 ( 9.581 -1.144 1.220) 9.726 11.701 ( -4.129 -2.498 -0.172) 4.829 12.091 ( -1.417 -1.806 -0.931) 2.477 12.736 ( 10.503 -0.393 -3.711) 11.147 15.454 ( 9.244 2.946 1.883) 9.883 15.510 ( 17.572 2.405 -1.432) 17.793 17.671 ( -4.582 1.386 6.977) 8.461 17.883 ( -5.247 -2.235 3.824) 6.866 18.206 ( 3.985 2.813 -2.596) 5.525 18.310 ( -5.652 -0.918 -2.689) 6.326 18.440 ( -17.999 -6.318 -0.293) 19.077 18.645 ( -18.067 0.035 -0.452) 18.073 22.600 ( 2.579 -2.350 -0.925) 3.610 22.871 ( -1.852 -1.195 1.697) 2.782 28.332 ( -11.343 -1.335 -6.401) 13.093 28.900 ( 0.101 1.484 -0.853) 1.715 29.064 ( 0.378 -3.283 -0.198) 3.311 29.577 ( 4.842 -2.442 2.220) 5.859 30.152 ( -3.087 1.441 3.199) 4.673 30.801 ( 9.114 1.661 -4.436) 10.271 31.023 ( -3.759 -2.185 4.461) 6.229 32.078 ( -6.658 1.457 -1.962) 7.093 33.426 ( 1.071 14.652 2.919) 14.978 34.200 ( 11.575 -3.146 -13.067) 17.738 34.874 ( 0.395 -5.243 1.230) 5.399 35.436 ( -11.552 -0.965 9.133) 14.758 46.248 ( 1.890 1.824 0.962) 2.797 46.816 ( 3.990 2.724 -0.424) 4.850 90.472 ( -10.346 0.177 -1.757) 10.496 90.546 ( -16.255 -2.192 2.526) 16.596 91.511 ( 2.528 3.594 -3.943) 5.903 92.421 ( -0.317 1.117 3.988) 4.154 ======================= Grid point 141 (62/196) ======================= q-point: (-0.40 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.521 ( -2.157 20.941 2.246) 21.171 3.385 ( -15.271 13.865 2.818) 20.818 3.552 ( 7.799 9.953 2.423) 12.874 3.634 ( -4.045 9.490 2.755) 10.678 4.286 ( 4.117 16.595 -6.629) 18.338 4.601 ( 6.900 15.892 1.454) 17.386 4.940 ( 2.375 -10.322 -0.562) 10.606 5.004 ( -4.212 12.152 -3.144) 13.240 5.440 ( -2.948 8.269 -4.802) 10.006 5.639 ( -6.365 6.450 3.970) 9.894 6.026 ( -2.135 -7.366 0.820) 7.713 6.283 ( -2.253 -2.016 10.356) 10.789 6.889 ( 9.131 -9.489 -4.927) 14.060 7.395 ( 1.243 7.989 -2.827) 8.565 8.218 ( 3.857 -0.555 -1.344) 4.122 8.559 ( 4.497 1.046 2.601) 5.299 8.922 ( -8.594 1.485 -5.567) 10.346 9.423 ( -2.040 0.189 1.751) 2.695 9.590 ( -6.252 -9.264 6.354) 12.856 10.245 ( -7.703 -2.460 4.795) 9.401 10.433 ( 1.789 0.792 -7.009) 7.277 10.775 ( 0.384 -1.448 -3.347) 3.666 11.366 ( 4.013 -0.692 1.352) 4.290 11.703 ( -1.434 -4.383 0.856) 4.690 12.111 ( -0.217 -3.811 -0.547) 3.856 12.826 ( 5.724 -0.705 -7.937) 9.811 15.562 ( 8.206 3.009 0.840) 8.780 15.690 ( 12.757 5.135 -1.555) 13.839 17.641 ( -9.097 -1.983 7.933) 12.232 17.825 ( -2.612 0.752 -0.559) 2.775 18.199 ( -9.201 -3.627 0.091) 9.890 18.228 ( 5.168 1.721 -1.827) 5.746 18.318 ( -9.916 -2.425 1.523) 10.321 18.392 ( -10.847 -0.132 -3.133) 11.292 22.664 ( 2.051 -2.765 -0.330) 3.458 22.878 ( -1.797 -2.230 0.949) 3.017 28.212 ( -2.906 -0.099 2.089) 3.581 28.893 ( 0.729 0.254 0.333) 0.841 29.109 ( 0.076 -3.275 -0.290) 3.289 29.667 ( 1.295 -3.596 -1.492) 4.103 30.131 ( -1.264 2.136 6.847) 7.283 30.867 ( 6.337 1.928 -3.633) 7.554 31.013 ( -3.293 -1.533 0.590) 3.680 31.949 ( -5.303 1.069 -3.404) 6.391 33.264 ( -0.810 15.150 3.219) 15.509 34.303 ( 14.060 -0.264 -16.702) 21.834 34.951 ( -2.316 -6.227 3.291) 7.414 35.360 ( -10.118 -2.228 10.190) 14.532 46.247 ( 0.686 3.313 2.205) 4.038 46.812 ( 2.063 4.043 -1.522) 4.788 90.336 ( -7.843 -0.136 0.443) 7.856 90.364 ( -10.032 -1.153 -0.486) 10.110 91.490 ( 2.770 4.648 0.767) 5.465 92.394 ( -1.954 1.907 -0.883) 2.869 ======================= Grid point 142 (63/196) ======================= q-point: (-0.30 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( 1.932 23.534 8.511) 25.101 2.945 ( -4.417 28.497 7.463) 29.787 3.509 ( 2.277 12.345 4.029) 13.184 3.592 ( 0.936 1.986 2.134) 3.062 4.066 ( 2.734 22.334 -2.225) 22.610 4.464 ( -5.601 17.734 3.410) 18.907 4.640 ( 4.042 27.289 -6.358) 28.310 5.163 ( 4.222 -13.072 -0.783) 13.759 5.260 ( -0.598 7.473 -5.091) 9.063 5.594 ( 4.124 0.766 1.129) 4.344 6.070 ( -6.806 -8.282 0.278) 10.723 6.329 ( -5.015 -1.957 10.230) 11.560 7.077 ( 5.645 -6.464 -4.118) 9.518 7.308 ( 2.465 7.200 -0.372) 7.619 8.244 ( 2.682 1.395 -1.151) 3.235 8.481 ( -9.190 0.723 -6.296) 11.163 8.899 ( 9.454 4.434 6.143) 12.115 9.413 ( -1.880 -0.254 1.270) 2.283 9.730 ( -0.527 -12.720 6.014) 14.080 10.112 ( -9.365 -0.828 -3.572) 10.057 10.494 ( 7.749 -3.689 -6.835) 10.972 10.793 ( 1.559 -1.186 -0.970) 2.186 11.400 ( -1.861 -0.589 1.912) 2.732 11.780 ( 0.913 -6.286 1.908) 6.632 12.162 ( 0.092 -4.739 -1.082) 4.862 12.787 ( -1.777 0.986 -11.834) 12.007 15.557 ( -2.285 7.794 -0.875) 8.169 15.754 ( 3.586 1.050 -1.503) 4.028 17.544 ( -9.938 -1.401 4.936) 11.184 17.868 ( 5.257 -0.774 2.621) 5.925 18.117 ( -2.472 -1.739 -2.214) 3.746 18.233 ( -3.529 -0.634 0.368) 3.605 18.251 ( 0.119 1.605 -1.596) 2.266 18.359 ( 6.518 -1.810 0.414) 6.777 22.726 ( 1.250 -2.876 0.880) 3.257 22.878 ( -3.110 -2.577 0.189) 4.044 28.311 ( 9.515 -0.882 11.919) 15.277 28.922 ( 1.446 -1.020 1.955) 2.637 29.138 ( -0.764 -2.974 -1.137) 3.274 29.679 ( -2.580 -3.706 -5.185) 6.876 30.162 ( 0.463 1.889 9.447) 9.645 30.889 ( 2.143 0.713 -2.510) 3.376 30.964 ( -3.389 0.918 -1.844) 3.966 31.851 ( -1.823 0.833 -5.691) 6.033 33.061 ( -3.054 15.435 2.673) 15.960 34.384 ( 17.108 2.539 -21.293) 27.432 34.988 ( -9.211 -5.284 8.002) 13.296 35.368 ( -4.737 -5.886 10.508) 12.942 46.219 ( -0.276 4.519 3.141) 5.510 46.756 ( 0.186 4.764 -2.638) 5.449 90.233 ( -3.501 0.025 0.189) 3.507 90.319 ( 2.253 -0.155 -0.697) 2.363 91.478 ( 2.035 6.093 4.034) 7.585 92.309 ( -2.284 2.573 -5.354) 6.364 ======================= Grid point 143 (64/196) ======================= q-point: (-0.20 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( 11.788 21.575 10.760) 26.837 2.709 ( 15.745 31.910 7.160) 36.296 3.331 ( -10.379 14.695 8.324) 19.823 3.603 ( 9.831 11.134 -2.016) 14.989 3.782 ( -2.502 26.429 11.645) 28.989 4.017 ( -6.626 18.714 -4.779) 20.419 4.502 ( 11.267 15.214 -4.315) 19.417 5.130 ( 3.736 11.606 -4.107) 12.865 5.384 ( 2.888 -11.110 0.946) 11.518 5.729 ( 10.821 -3.127 -3.577) 11.818 6.033 ( -10.336 -8.780 -0.597) 13.574 6.329 ( -8.060 -3.315 7.032) 11.199 7.151 ( 3.679 0.794 -4.568) 5.919 7.288 ( 3.422 4.582 3.767) 6.848 8.261 ( 0.892 0.638 -1.660) 1.989 8.349 ( -1.032 -2.124 -2.797) 3.661 9.020 ( 5.004 4.907 3.527) 7.846 9.405 ( 0.425 -0.853 2.456) 2.634 9.949 ( 4.371 -11.283 1.313) 12.171 10.004 ( -3.475 -1.077 1.079) 3.795 10.614 ( 4.469 -7.896 -10.010) 13.510 10.844 ( 5.873 -0.081 0.261) 5.879 11.362 ( -6.906 -0.865 3.579) 7.826 11.894 ( 0.587 -6.552 1.903) 6.848 12.206 ( -0.659 -4.662 -2.748) 5.452 12.571 ( -8.853 4.903 -12.760) 16.286 15.322 ( -11.242 8.733 -0.478) 14.244 15.722 ( -6.195 0.496 -0.842) 6.271 17.510 ( 0.055 -2.006 0.086) 2.008 17.956 ( 1.848 -2.611 3.508) 4.748 18.107 ( -1.888 1.689 -1.860) 3.143 18.226 ( 1.537 2.695 -0.221) 3.111 18.337 ( 16.379 -3.622 -1.651) 16.856 18.557 ( 14.897 -1.908 1.780) 15.124 22.787 ( -0.195 -3.202 2.284) 3.938 22.851 ( -3.492 -1.857 -0.653) 4.008 28.682 ( 17.055 -4.979 14.264) 22.784 28.999 ( 2.977 -2.360 4.081) 5.576 29.181 ( 3.842 -5.920 1.804) 7.284 29.615 ( -5.083 -2.992 -7.748) 9.737 30.221 ( 0.304 1.065 9.238) 9.304 30.864 ( -5.500 1.866 -0.722) 5.853 30.892 ( 1.745 0.480 -2.887) 3.407 31.774 ( -0.096 1.924 -7.708) 7.945 32.840 ( -3.427 13.187 2.294) 13.817 34.434 ( 18.723 5.469 -25.227) 31.889 34.918 ( -15.965 -2.752 12.324) 20.355 35.517 ( 0.004 -9.321 10.565) 14.089 46.174 ( -0.654 4.996 3.401) 6.079 46.664 ( -1.042 4.913 -3.273) 5.995 90.276 ( 9.591 -1.518 -2.193) 9.955 90.424 ( 11.417 -0.721 0.427) 11.447 91.446 ( 0.375 7.602 5.709) 9.514 92.193 ( -0.874 3.375 -8.707) 9.379 ======================= Grid point 144 (65/196) ======================= q-point: (-0.10 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( 16.590 17.411 8.439) 25.487 2.613 ( 16.251 32.576 5.893) 36.878 2.992 ( -11.079 16.234 10.710) 22.382 3.523 ( 17.566 24.581 8.124) 31.285 3.678 ( 5.980 5.405 -1.094) 8.135 3.863 ( 7.112 8.049 0.486) 10.752 4.472 ( 11.406 11.537 -4.657) 16.879 5.012 ( 6.004 14.915 -1.592) 16.157 5.509 ( -5.134 -6.956 4.003) 9.527 5.785 ( -2.518 -6.582 -12.498) 14.348 6.114 ( -3.283 -10.140 6.112) 12.287 6.312 ( 4.084 -2.682 -0.661) 4.930 7.124 ( 2.495 5.359 -1.618) 6.129 7.324 ( 5.383 5.966 1.599) 8.193 8.253 ( -0.716 -1.441 0.117) 1.613 8.397 ( -1.058 -3.689 -1.915) 4.288 8.960 ( -2.609 1.740 -2.126) 3.789 9.503 ( 4.860 -1.661 4.045) 6.538 10.036 ( 6.158 -0.931 -0.311) 6.236 10.181 ( 3.752 -8.583 7.407) 11.942 10.612 ( -5.425 -5.131 -10.150) 12.601 11.004 ( 10.610 -3.339 -1.288) 11.197 11.287 ( -8.849 -1.843 6.916) 11.382 11.951 ( -4.350 -3.824 -2.333) 6.244 12.192 ( -3.523 -1.355 -6.402) 7.432 12.313 ( -5.425 2.386 -3.305) 6.786 15.069 ( -8.071 6.336 0.123) 10.262 15.563 ( -11.006 1.921 -0.134) 11.174 17.574 ( 4.033 -3.922 -2.916) 6.337 18.029 ( -3.129 -1.197 0.412) 3.375 18.092 ( 8.511 -0.723 -0.508) 8.557 18.203 ( 0.115 3.983 2.146) 4.526 18.634 ( 17.203 -2.221 -1.993) 17.460 18.856 ( 19.335 -1.409 -0.576) 19.395 22.784 ( -3.999 -2.176 -2.642) 5.264 22.866 ( -0.472 -2.210 4.928) 5.422 28.912 ( 2.665 -1.093 3.865) 4.820 29.045 ( -0.233 -0.826 -1.327) 1.580 29.495 ( -5.715 -1.870 -9.536) 11.274 29.681 ( 23.010 -20.453 12.094) 33.077 30.267 ( -1.137 0.156 6.576) 6.675 30.741 ( -4.748 3.167 -1.911) 6.019 30.907 ( 1.553 -0.497 0.208) 1.644 31.699 ( 0.425 -0.410 -5.510) 5.542 32.694 ( -0.276 7.169 2.264) 7.523 34.419 ( 14.285 7.841 -25.260) 30.060 34.795 ( -13.188 0.291 12.441) 18.132 35.708 ( -1.207 -8.046 10.976) 13.663 46.128 ( -0.248 4.522 2.883) 5.369 46.566 ( -0.668 4.388 -2.867) 5.284 90.521 ( 18.155 -6.185 -3.268) 19.456 90.681 ( 18.679 -3.576 -1.874) 19.110 91.380 ( -1.393 7.883 5.622) 9.782 92.083 ( 2.617 4.668 -10.372) 11.671 ======================= Grid point 149 (66/196) ======================= q-point: ( 0.40 -0.60 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.060 ( -2.798 -0.000 -2.246) 3.588 3.297 ( 11.041 0.000 -4.281) 11.842 3.746 ( -2.217 -0.000 3.582) 4.213 4.181 ( 8.710 0.000 -6.752) 11.020 4.333 ( 1.578 0.000 1.283) 2.034 4.907 ( -29.811 -0.000 11.766) 32.049 4.994 ( 6.339 0.000 -2.434) 6.790 5.321 ( 7.850 0.000 -7.162) 10.626 5.648 ( 2.896 0.000 -0.382) 2.921 5.738 ( -6.562 -0.000 0.244) 6.567 5.839 ( 2.266 0.000 -11.149) 11.377 6.198 ( -0.900 -0.000 16.516) 16.540 6.596 ( 5.925 0.000 -5.293) 7.945 7.555 ( 1.321 0.000 -1.858) 2.280 8.074 ( 7.240 0.000 3.826) 8.189 8.459 ( 7.463 0.000 5.333) 9.172 9.085 ( -6.329 -0.000 -14.265) 15.606 9.475 ( -13.969 -0.000 1.657) 14.067 9.587 ( -6.480 -0.000 4.960) 8.160 10.142 ( -0.420 -0.000 10.122) 10.131 10.617 ( -11.693 -0.000 -0.873) 11.725 10.799 ( -0.399 -0.000 -8.555) 8.564 11.229 ( 11.883 0.000 -0.018) 11.883 11.667 ( -4.743 -0.000 -0.017) 4.743 12.070 ( -2.269 -0.000 -1.169) 2.553 12.730 ( 10.672 0.000 -4.940) 11.760 15.485 ( 7.140 0.000 0.712) 7.176 15.550 ( 20.238 0.000 0.752) 20.252 17.694 ( -10.835 -0.000 10.488) 15.080 17.858 ( 2.821 0.000 2.044) 3.484 18.255 ( -0.504 -0.000 -3.079) 3.120 18.301 ( -1.036 -0.000 -3.307) 3.465 18.331 ( -19.464 -0.000 -2.013) 19.568 18.645 ( -18.220 -0.000 1.013) 18.248 22.567 ( 2.465 0.000 -0.772) 2.583 22.857 ( -1.757 -0.000 1.008) 2.025 28.316 ( -10.300 -0.000 -5.451) 11.654 28.937 ( -0.413 -0.000 -1.047) 1.125 29.004 ( 0.627 0.000 -0.292) 0.692 29.545 ( 4.421 0.000 2.520) 5.089 30.171 ( -2.954 -0.000 3.281) 4.415 30.827 ( 10.319 0.000 -5.299) 11.600 30.990 ( -4.112 -0.000 4.855) 6.363 32.095 ( -7.325 -0.000 -2.207) 7.651 33.663 ( -1.287 -0.000 0.845) 1.540 34.113 ( 12.100 0.000 -10.538) 16.045 34.809 ( 0.976 0.000 2.278) 2.478 35.424 ( -10.614 -0.000 7.566) 13.035 46.272 ( 2.572 0.000 0.774) 2.686 46.852 ( 4.148 0.000 -0.170) 4.151 90.476 ( -9.974 -0.000 -3.058) 10.432 90.519 ( -15.466 -0.000 3.835) 15.934 91.559 ( 2.481 0.000 -4.954) 5.540 92.437 ( -0.309 -0.000 5.026) 5.035 ======================= Grid point 151 (67/196) ======================= q-point: (-0.50 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.951 ( -1.417 11.351 3.317) 11.911 3.393 ( -0.893 -3.898 0.152) 4.002 3.719 ( -2.510 2.179 4.022) 5.217 4.074 ( 0.532 19.261 -1.962) 19.368 4.506 ( -2.216 -10.101 -1.157) 10.406 4.564 ( -5.218 -1.860 2.542) 6.095 4.965 ( -0.825 7.614 -2.300) 7.996 5.325 ( 7.934 9.948 -5.466) 13.849 5.590 ( -2.241 4.391 -2.683) 5.612 5.782 ( 5.882 0.633 2.639) 6.478 5.851 ( -3.015 -5.591 -8.260) 10.420 6.281 ( -1.734 2.656 15.717) 16.034 6.656 ( 2.460 -7.381 -1.199) 7.872 7.548 ( 2.704 3.419 -5.155) 6.751 8.211 ( 7.441 -0.080 0.870) 7.492 8.575 ( 2.286 0.249 1.965) 3.025 8.930 ( -1.312 -0.212 -7.784) 7.896 9.325 ( -11.682 -4.264 5.077) 13.432 9.530 ( -4.682 1.212 6.287) 7.932 10.187 ( -4.543 -1.563 4.052) 6.284 10.451 ( -5.447 0.430 -2.973) 6.220 10.757 ( 1.837 -0.233 -5.868) 6.153 11.366 ( 6.169 0.324 -0.024) 6.177 11.625 ( -2.280 -1.625 0.947) 2.955 12.046 ( -0.948 -1.278 -0.422) 1.646 12.813 ( 7.048 -0.277 -9.236) 11.621 15.591 ( 6.305 0.398 0.524) 6.339 15.812 ( 14.199 2.864 0.338) 14.489 17.604 ( -10.694 -0.769 8.216) 13.507 17.892 ( 0.264 4.214 0.093) 4.224 18.052 ( -9.875 -6.240 -0.488) 11.692 18.254 ( -1.151 0.479 -2.307) 2.622 18.298 ( -0.414 -0.230 -0.560) 0.733 18.390 ( -13.224 0.033 -1.369) 13.295 22.606 ( 1.865 -1.366 -0.231) 2.323 22.843 ( -0.992 -0.611 -0.450) 1.249 28.211 ( -2.207 0.000 2.852) 3.607 28.920 ( 0.448 1.509 -0.112) 1.578 29.028 ( 0.084 -2.640 -0.184) 2.647 29.602 ( 0.867 -1.387 -0.676) 1.770 30.170 ( -1.294 0.803 6.726) 6.896 30.917 ( 5.444 1.958 -3.624) 6.827 30.969 ( -0.659 -1.866 -0.686) 2.094 31.964 ( -6.426 0.217 -3.720) 7.428 33.591 ( -0.940 8.737 1.106) 8.857 34.229 ( 10.343 -3.830 -11.543) 15.965 34.853 ( 0.095 -1.755 3.809) 4.195 35.332 ( -8.900 -0.335 6.784) 11.196 46.307 ( 1.541 1.266 2.108) 2.902 46.884 ( 1.977 1.520 -1.137) 2.741 90.337 ( -9.745 0.126 1.347) 9.838 90.348 ( -5.872 -0.317 -1.500) 6.069 91.574 ( 3.316 1.771 0.039) 3.759 92.431 ( -2.371 0.794 0.450) 2.541 ======================= Grid point 152 (68/196) ======================= q-point: (-0.40 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.799 ( 1.387 17.304 6.862) 18.666 3.374 ( -3.210 2.805 3.386) 5.444 3.678 ( -1.478 3.292 3.578) 5.081 3.823 ( 0.041 17.836 3.992) 18.278 4.436 ( 6.459 6.783 -8.528) 12.667 4.789 ( -5.718 1.885 -1.149) 6.130 4.817 ( 5.670 -5.872 3.299) 8.805 5.236 ( 7.138 12.684 -9.168) 17.202 5.510 ( -0.920 14.275 -2.066) 14.453 5.641 ( -5.346 3.214 4.485) 7.683 5.907 ( -0.286 -5.577 -2.604) 6.161 6.320 ( -3.344 1.929 12.780) 13.350 6.843 ( 4.298 -11.525 0.836) 12.329 7.472 ( 1.042 5.102 -6.190) 8.089 8.280 ( 2.031 1.187 0.101) 2.355 8.492 ( -8.346 0.298 -6.598) 10.644 8.991 ( 11.633 2.591 2.968) 12.282 9.334 ( -2.859 -7.356 5.583) 9.668 9.522 ( -2.483 -0.826 7.541) 7.982 10.072 ( -9.974 -2.019 -5.616) 11.623 10.439 ( 3.214 -1.228 -2.127) 4.045 10.775 ( 4.304 -0.346 -3.050) 5.287 11.403 ( -0.174 0.562 -0.164) 0.610 11.657 ( 0.662 -3.333 2.158) 4.025 12.069 ( 0.661 -2.512 -0.118) 2.600 12.805 ( 1.745 0.421 -11.848) 11.983 15.647 ( 0.023 0.818 0.571) 0.997 15.857 ( -0.623 5.018 -1.351) 5.234 17.515 ( -8.498 -0.914 5.112) 9.959 17.872 ( 4.452 1.172 1.438) 4.823 18.058 ( -3.794 -2.804 -0.596) 4.755 18.186 ( -0.982 -2.059 0.614) 2.363 18.289 ( 0.281 1.120 -3.037) 3.249 18.328 ( 4.466 -0.841 -0.640) 4.589 22.651 ( 0.705 -2.546 0.454) 2.680 22.832 ( -1.361 -1.147 -1.348) 2.233 28.299 ( 7.084 -0.198 11.240) 13.287 28.920 ( 1.132 0.815 1.245) 1.869 29.059 ( -0.652 -3.120 -0.838) 3.296 29.595 ( -2.698 -2.573 -4.061) 5.513 30.207 ( 0.178 1.438 9.058) 9.173 30.894 ( -2.232 -0.040 -0.995) 2.444 30.986 ( 2.202 0.667 -5.142) 5.634 31.861 ( -1.731 0.094 -6.114) 6.355 33.438 ( -2.037 13.179 1.199) 13.389 34.345 ( 10.280 -4.574 -13.705) 17.732 34.904 ( -1.689 -1.869 6.087) 6.588 35.274 ( -6.326 -1.620 6.671) 9.335 46.315 ( 0.197 2.781 3.398) 4.395 46.856 ( -0.296 2.868 -2.253) 3.659 90.237 ( -2.979 0.165 -0.044) 2.984 90.318 ( 2.310 -0.020 -0.698) 2.413 91.608 ( 3.614 3.835 4.228) 6.756 92.359 ( -3.333 1.362 -3.864) 5.281 ======================= Grid point 153 (69/196) ======================= q-point: (-0.30 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.682 ( 8.013 19.446 7.066) 22.188 3.345 ( 9.922 11.027 3.376) 15.213 3.625 ( -3.442 14.751 5.578) 16.142 3.683 ( 1.881 3.706 2.279) 4.740 4.341 ( 6.255 13.993 -7.135) 16.907 4.575 ( -10.879 15.032 3.894) 18.960 4.876 ( -3.560 10.732 -1.618) 11.422 5.164 ( 8.240 -0.257 -7.999) 11.486 5.287 ( -1.968 2.962 0.886) 3.665 5.731 ( 9.879 0.346 3.899) 10.627 5.893 ( -4.696 -1.482 -3.177) 5.861 6.311 ( -5.527 2.461 10.873) 12.443 7.045 ( 3.791 -8.563 1.860) 9.548 7.391 ( 0.931 2.955 -4.795) 5.709 8.274 ( -2.152 -0.583 1.786) 2.857 8.317 ( -6.158 0.311 -5.734) 8.420 9.151 ( 9.778 4.835 0.460) 10.918 9.405 ( 0.319 0.231 5.056) 5.071 9.642 ( 3.778 -10.138 4.670) 11.784 9.948 ( -4.385 -3.482 -4.396) 7.119 10.494 ( 4.081 -2.309 -5.449) 7.189 10.849 ( 7.109 0.320 0.067) 7.117 11.356 ( -5.349 0.258 0.798) 5.414 11.749 ( 2.050 -4.586 2.286) 5.519 12.113 ( 0.908 -2.602 -0.911) 2.903 12.667 ( -5.385 2.749 -12.904) 14.250 15.512 ( -11.641 5.831 -1.049) 13.062 15.743 ( -6.866 1.243 0.521) 6.997 17.467 ( -2.734 -1.431 1.171) 3.300 17.897 ( -2.834 -1.426 2.612) 4.110 18.141 ( 8.136 0.164 -2.077) 8.398 18.259 ( 10.170 -0.987 -1.307) 10.301 18.277 ( 2.941 0.530 0.365) 3.011 18.485 ( 12.426 -3.552 0.605) 12.938 22.698 ( -0.626 -3.442 1.293) 3.730 22.810 ( -1.881 -1.367 -1.898) 3.001 28.592 ( 15.356 -2.264 16.577) 22.710 28.958 ( 2.082 -0.713 3.538) 4.167 29.075 ( -0.795 -3.200 -1.583) 3.657 29.533 ( -4.868 -3.135 -6.673) 8.835 30.258 ( 0.151 1.648 8.663) 8.819 30.860 ( -2.617 -0.652 0.495) 2.742 30.934 ( -1.624 1.420 -5.105) 5.542 31.814 ( 3.019 1.026 -9.016) 9.563 33.215 ( -4.188 15.441 1.006) 16.030 34.443 ( 9.163 -3.916 -15.499) 18.426 34.917 ( -3.667 1.298 7.020) 8.026 35.310 ( -1.972 -6.135 7.733) 10.066 46.292 ( -1.017 4.018 4.141) 5.859 46.776 ( -1.955 3.666 -3.118) 5.195 90.255 ( 6.310 -0.357 -1.757) 6.560 90.411 ( 9.859 -0.372 0.596) 9.884 91.634 ( 2.699 6.715 6.925) 10.017 92.252 ( -2.847 1.378 -6.963) 7.647 ======================= Grid point 154 (70/196) ======================= q-point: (-0.20 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.653 ( 12.723 17.496 5.367) 22.288 3.332 ( -13.963 14.130 5.401) 20.587 3.424 ( 20.288 22.071 1.688) 30.026 3.706 ( 0.831 1.026 2.531) 2.854 4.104 ( -11.212 20.998 1.947) 23.883 4.220 ( 6.806 16.676 -1.804) 18.101 4.735 ( 4.870 7.920 -5.297) 10.700 5.177 ( 0.659 -1.188 -10.745) 10.830 5.374 ( 4.711 -3.912 5.532) 8.252 5.767 ( -8.006 0.623 -3.388) 8.716 5.930 ( 7.084 -0.397 8.479) 11.056 6.288 ( 1.002 2.096 6.221) 6.641 7.174 ( 2.797 -2.441 -2.580) 4.521 7.380 ( 2.325 -0.826 1.831) 3.072 8.231 ( -1.115 -0.431 -2.218) 2.520 8.280 ( -4.826 -4.930 1.499) 7.060 9.085 ( -1.258 7.286 -6.863) 10.088 9.497 ( 5.568 0.940 5.528) 7.902 9.880 ( 7.858 -11.516 -5.697) 15.061 9.990 ( 1.570 -4.651 8.207) 9.563 10.517 ( 1.441 -1.824 -8.543) 8.853 10.990 ( 10.903 1.006 3.704) 11.559 11.260 ( -8.924 -0.375 3.470) 9.583 11.839 ( -0.054 -4.284 -0.299) 4.295 12.137 ( -0.027 -1.805 -2.595) 3.161 12.413 ( -9.457 4.108 -9.452) 13.988 15.237 ( -10.914 6.623 -1.091) 12.813 15.603 ( -10.938 1.055 1.398) 11.077 17.484 ( 1.569 -3.087 -2.388) 4.206 17.933 ( -0.804 -4.515 3.026) 5.495 18.146 ( 3.574 3.509 -2.509) 5.602 18.294 ( 2.650 2.794 0.548) 3.890 18.561 ( 19.298 -3.080 -0.543) 19.550 18.775 ( 17.346 -4.738 0.847) 18.001 22.720 ( -2.683 -2.782 -1.068) 4.009 22.805 ( -0.696 -2.453 1.158) 2.800 28.893 ( 5.681 -0.359 5.564) 7.960 29.023 ( 0.035 -0.753 -0.646) 0.993 29.271 ( 16.188 -11.584 14.736) 24.766 29.440 ( -4.548 -2.792 -8.159) 9.749 30.285 ( -1.322 1.177 5.520) 5.797 30.804 ( -4.992 1.673 -0.567) 5.295 30.890 ( 0.594 -0.797 -0.321) 1.045 31.765 ( 3.099 3.591 -10.537) 11.555 32.961 ( -4.874 13.666 1.323) 14.569 34.467 ( 1.852 -2.320 -12.657) 13.000 34.888 ( 2.068 5.129 1.973) 5.871 35.467 ( -0.431 -9.849 9.808) 13.906 46.247 ( -1.629 4.512 4.042) 6.273 46.670 ( -2.310 3.679 -3.310) 5.461 90.409 ( 13.780 -2.693 -3.121) 14.384 90.623 ( 15.281 -1.505 1.147) 15.397 91.601 ( -0.517 9.216 6.444) 11.257 92.159 ( 0.461 1.520 -6.938) 7.117 ======================= Grid point 155 (71/196) ======================= q-point: (-0.10 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.657 ( 10.453 15.499 0.107) 18.695 3.023 ( -8.160 7.563 4.315) 11.934 3.183 ( -5.590 30.232 7.969) 31.760 3.783 ( 8.132 -1.655 -2.120) 8.565 3.954 ( 9.478 10.673 3.269) 14.644 4.139 ( 7.958 9.209 -5.634) 13.412 4.710 ( 8.665 5.982 -5.941) 12.089 5.111 ( -0.261 -0.596 -7.268) 7.297 5.525 ( 7.602 1.389 4.196) 8.793 5.621 ( -5.387 2.214 -1.383) 5.986 5.992 ( -6.812 -0.219 10.422) 12.452 6.465 ( 13.281 -4.172 4.783) 14.720 7.165 ( -0.677 0.956 -3.415) 3.610 7.476 ( 6.195 1.586 2.400) 6.830 8.192 ( -10.244 -2.354 -0.836) 10.544 8.260 ( -1.326 -2.483 -2.323) 3.650 8.971 ( 2.975 2.635 -3.405) 5.233 9.572 ( 2.403 0.668 1.223) 2.778 10.066 ( 6.813 -8.447 -6.206) 12.501 10.210 ( 6.006 -7.447 10.680) 14.339 10.439 ( -2.799 1.340 -10.872) 11.306 11.076 ( -6.187 2.255 4.278) 7.852 11.276 ( 7.323 -2.046 10.263) 12.773 11.784 ( -8.783 -0.750 -8.319) 12.121 12.119 ( -0.883 -0.566 -1.709) 2.005 12.239 ( -3.975 0.006 -1.428) 4.224 15.036 ( -4.337 4.714 -2.223) 6.780 15.430 ( -10.525 1.650 1.877) 10.818 17.546 ( 2.857 -4.367 -3.675) 6.383 17.983 ( -0.425 -2.032 0.355) 2.106 18.188 ( 4.751 -0.702 1.171) 4.944 18.287 ( 1.955 4.302 1.234) 4.884 18.850 ( 16.086 -1.308 -1.408) 16.200 19.076 ( 13.487 -3.194 0.182) 13.862 22.687 ( -2.213 -1.598 -3.753) 4.640 22.856 ( -1.142 -3.132 5.135) 6.122 28.956 ( 0.726 -0.292 1.144) 1.386 29.013 ( -0.230 -0.621 -1.337) 1.492 29.341 ( -2.838 -1.300 -8.121) 8.700 29.841 ( 16.400 -13.345 9.939) 23.363 30.271 ( -2.795 0.128 2.224) 3.574 30.691 ( -4.406 2.444 -2.696) 5.715 30.941 ( 1.973 -0.908 4.792) 5.261 31.680 ( 1.403 1.966 -6.308) 6.755 32.782 ( -2.021 7.144 1.847) 7.651 34.378 ( -5.197 -0.307 -7.295) 8.962 34.888 ( 9.502 7.526 -5.091) 13.147 35.650 ( -2.633 -9.161 11.079) 14.616 46.195 ( -1.322 4.023 3.133) 5.268 46.579 ( -0.995 2.741 -2.657) 3.944 90.678 ( 16.915 -6.726 -3.991) 18.636 90.885 ( 13.982 -1.921 1.267) 14.170 91.482 ( -4.400 8.431 2.948) 9.957 92.131 ( 5.061 3.461 -4.237) 7.453 ======================= Grid point 161 (72/196) ======================= q-point: (-0.50 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.053 ( -1.415 -0.000 9.645) 9.748 3.361 ( 0.898 -0.000 -1.448) 1.704 3.714 ( -2.582 -0.000 3.936) 4.708 4.168 ( -6.509 -0.000 5.118) 8.280 4.515 ( 0.419 0.000 2.361) 2.398 4.529 ( 17.110 -0.000 -7.748) 18.783 4.917 ( -7.572 -0.000 -2.163) 7.875 5.442 ( -1.740 0.000 -2.978) 3.449 5.619 ( 6.142 -0.000 -1.796) 6.399 5.686 ( -0.283 -0.000 -12.924) 12.927 5.914 ( 1.868 -0.000 3.491) 3.960 6.412 ( -2.131 0.000 18.985) 19.105 6.595 ( 0.707 -0.000 0.701) 0.996 7.541 ( -0.236 -0.000 -9.014) 9.017 8.296 ( 1.354 -0.000 0.536) 1.456 8.497 ( -7.249 -0.000 -6.112) 9.482 9.025 ( 13.061 -0.000 1.778) 13.182 9.219 ( -3.736 -0.000 8.205) 9.016 9.535 ( -2.371 -0.000 8.262) 8.596 10.039 ( -10.668 -0.000 -6.711) 12.604 10.423 ( 2.013 -0.000 -0.844) 2.183 10.771 ( 5.060 -0.000 -3.777) 6.314 11.413 ( 0.030 -0.000 -0.763) 0.763 11.614 ( 0.688 -0.000 2.094) 2.204 12.037 ( 0.975 -0.000 0.318) 1.025 12.810 ( 2.947 -0.000 -12.013) 12.369 15.655 ( 0.515 -0.000 1.339) 1.434 15.927 ( -2.022 -0.000 -1.414) 2.467 17.502 ( -8.106 -0.000 5.098) 9.576 17.903 ( 3.718 -0.000 1.139) 3.889 18.005 ( -2.143 -0.000 -0.111) 2.146 18.157 ( -1.086 -0.000 0.407) 1.160 18.307 ( 2.283 -0.000 -3.435) 4.125 18.313 ( 1.240 -0.000 -0.916) 1.542 22.616 ( 0.607 -0.000 0.310) 0.681 22.817 ( -0.975 -0.000 -1.848) 2.089 28.297 ( 6.434 -0.000 11.139) 12.864 28.945 ( 1.093 -0.000 0.664) 1.279 29.003 ( -0.512 -0.000 -0.453) 0.684 29.560 ( -2.829 -0.000 -3.692) 4.652 30.226 ( 0.128 -0.000 9.019) 9.020 30.893 ( -3.428 -0.000 -0.855) 3.533 30.995 ( 3.799 -0.000 -5.988) 7.091 31.861 ( -1.743 -0.000 -6.262) 6.500 33.637 ( -0.961 -0.000 0.114) 0.967 34.254 ( 7.094 -0.000 -9.897) 12.176 34.880 ( 0.125 -0.000 5.605) 5.607 35.260 ( -6.013 -0.000 4.642) 7.597 46.351 ( 0.375 -0.000 3.490) 3.510 46.893 ( -0.477 -0.000 -2.137) 2.189 90.239 ( -2.902 -0.000 -0.121) 2.905 90.317 ( 2.312 -0.000 -0.689) 2.413 91.659 ( 4.361 -0.000 4.285) 6.114 92.377 ( -3.920 -0.000 -3.392) 5.184 ======================= Grid point 163 (73/196) ======================= q-point: (-0.40 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.066 ( 3.162 9.043 7.969) 12.462 3.383 ( 0.944 -1.113 0.351) 1.501 3.718 ( 1.025 0.309 1.243) 1.640 4.106 ( 7.413 14.958 2.564) 16.890 4.550 ( 2.861 2.779 2.084) 4.501 4.651 ( -7.727 -4.731 1.350) 9.160 4.885 ( 9.327 -1.525 -3.940) 10.239 5.280 ( -6.411 3.590 -7.205) 10.291 5.513 ( -8.857 6.643 -10.174) 15.036 5.748 ( 8.162 1.462 1.587) 8.442 5.905 ( -0.208 2.361 3.584) 4.297 6.445 ( -0.718 7.622 15.165) 16.988 6.761 ( 3.541 -12.308 5.004) 13.750 7.431 ( -2.466 0.524 -11.454) 11.729 8.253 ( -8.234 -0.513 3.849) 9.103 8.337 ( -6.471 0.586 -6.420) 9.134 9.241 ( 13.515 2.057 0.671) 13.687 9.333 ( 6.722 -3.900 5.740) 9.661 9.577 ( 0.375 2.569 10.027) 10.358 9.846 ( -7.039 -3.624 -9.459) 12.335 10.460 ( 4.051 -0.601 -3.625) 5.469 10.856 ( 8.428 0.199 -0.146) 8.431 11.366 ( -4.857 0.316 -0.692) 4.916 11.669 ( 2.641 -1.621 2.417) 3.930 12.072 ( 2.359 -0.697 0.335) 2.482 12.713 ( -3.285 0.889 -13.076) 13.511 15.608 ( -7.696 1.759 1.185) 7.983 15.776 ( -12.347 0.947 -0.860) 12.413 17.439 ( -4.152 -0.628 1.767) 4.555 17.887 ( -6.910 0.251 0.354) 6.924 18.109 ( 17.512 -1.483 1.698) 17.657 18.261 ( 8.810 0.353 -1.087) 8.884 18.304 ( 1.547 1.860 -0.740) 2.530 18.392 ( 9.231 -3.329 -1.614) 9.944 22.631 ( -0.483 -1.490 1.021) 1.870 22.785 ( -1.467 -0.538 -2.852) 3.252 28.558 ( 13.586 -0.609 17.193) 21.921 28.962 ( 1.297 0.943 1.709) 2.343 29.007 ( -0.559 -2.138 -1.121) 2.478 29.472 ( -4.920 -1.370 -6.127) 7.976 30.292 ( 0.107 0.757 8.442) 8.476 30.847 ( -2.017 -0.268 -0.200) 2.045 30.956 ( -2.721 0.397 -5.148) 5.836 31.828 ( 4.724 0.167 -9.587) 10.689 33.557 ( -1.692 9.388 -0.406) 9.548 34.303 ( 4.120 -5.225 -9.331) 11.461 34.930 ( -0.196 -0.205 7.295) 7.300 35.225 ( -2.761 -1.019 3.056) 4.243 46.365 ( -1.224 1.530 4.580) 4.982 46.841 ( -2.568 1.366 -3.095) 4.247 90.251 ( 5.348 -0.019 -1.729) 5.621 90.405 ( 9.141 -0.105 0.674) 9.167 91.761 ( 5.218 2.836 8.056) 10.008 92.270 ( -4.855 0.211 -6.711) 8.286 ======================= Grid point 164 (74/196) ======================= q-point: (-0.30 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.047 ( 6.216 12.237 4.509) 14.447 3.390 ( -5.260 -1.872 1.123) 5.695 3.741 ( 0.322 0.777 1.358) 1.597 4.030 ( 12.673 21.000 0.778) 24.540 4.483 ( -4.891 8.820 1.759) 10.238 4.565 ( -6.595 4.875 -0.428) 8.212 4.939 ( -1.836 7.886 0.031) 8.097 5.127 ( 0.702 -1.233 -17.931) 17.987 5.274 ( -1.570 -0.927 1.388) 2.292 5.749 ( -3.260 1.231 -0.204) 3.490 5.997 ( 5.910 0.280 7.133) 9.268 6.449 ( 1.942 9.504 13.086) 16.289 7.002 ( 3.947 -9.906 3.876) 11.346 7.327 ( -1.694 -2.692 -9.061) 9.603 8.169 ( -9.858 -3.373 5.461) 11.763 8.219 ( -3.404 -0.643 -4.617) 5.772 9.288 ( 2.626 7.669 -6.479) 10.377 9.527 ( 8.075 -0.158 5.748) 9.913 9.635 ( 5.420 -5.025 -4.760) 8.791 9.865 ( 2.428 -5.230 5.886) 8.240 10.497 ( 4.731 -0.284 -6.689) 8.198 11.018 ( 11.701 0.872 4.949) 12.734 11.264 ( -7.679 0.511 0.767) 7.734 11.750 ( 2.086 -2.536 0.703) 3.358 12.114 ( 2.234 -0.129 -0.502) 2.294 12.498 ( -9.568 2.401 -11.818) 15.394 15.394 ( -12.044 5.538 -0.557) 13.268 15.605 ( -11.863 -1.064 2.041) 12.084 17.422 ( -0.302 -1.764 -1.476) 2.320 17.838 ( -2.278 -2.601 1.488) 3.765 18.246 ( 3.138 4.061 -1.655) 5.393 18.342 ( 4.505 1.104 -0.372) 4.653 18.492 ( 20.294 -2.171 2.216) 20.530 18.638 ( 16.042 -5.460 -1.282) 16.994 22.653 ( -1.164 -2.186 1.174) 2.740 22.752 ( -1.305 -1.523 -2.702) 3.365 28.897 ( 8.817 0.657 8.741) 12.432 29.010 ( 0.076 -0.479 -0.758) 0.900 29.059 ( 10.180 -5.367 12.262) 16.816 29.372 ( -4.462 -2.318 -7.323) 8.883 30.318 ( -1.483 1.172 4.318) 4.713 30.832 ( -3.640 0.706 1.190) 3.894 30.869 ( -1.654 -0.793 -1.237) 2.212 31.833 ( 7.328 1.629 -12.463) 14.549 33.348 ( -4.299 15.333 -0.483) 15.932 34.351 ( 0.107 -6.466 -8.522) 10.698 34.981 ( 2.302 1.558 4.986) 5.709 35.265 ( -0.359 -4.997 4.695) 6.866 46.343 ( -2.695 2.785 4.963) 6.297 46.745 ( -3.603 2.120 -3.643) 5.546 90.369 ( 11.570 -0.745 -2.822) 11.932 90.597 ( 14.159 -0.634 1.820) 14.290 91.826 ( 2.436 7.943 7.924) 11.481 92.161 ( -2.136 -1.336 -5.993) 6.501 ======================= Grid point 165 (75/196) ======================= q-point: (-0.20 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.009 ( 5.905 11.532 0.786) 12.980 3.215 ( -17.554 4.643 2.744) 18.364 3.719 ( -4.516 1.174 3.957) 6.117 3.932 ( 2.430 22.863 -4.895) 23.507 4.189 ( -2.118 8.246 1.380) 8.624 4.407 ( -3.048 11.383 -0.670) 11.804 4.767 ( -2.847 1.653 -8.286) 8.917 5.062 ( 0.846 -1.480 -11.309) 11.437 5.470 ( 14.635 -6.309 -0.557) 15.947 5.686 ( -2.082 2.015 0.866) 3.024 6.092 ( -1.253 3.153 13.648) 14.063 6.463 ( 1.440 5.791 11.384) 12.853 7.115 ( -0.492 -4.687 -6.322) 7.885 7.392 ( 5.580 -6.473 2.968) 9.047 8.103 ( -9.287 -3.615 1.107) 10.027 8.198 ( -0.135 -3.041 -0.946) 3.188 9.132 ( 0.767 8.861 -8.080) 12.016 9.614 ( 3.147 2.044 0.904) 3.860 9.804 ( 7.051 -10.070 -6.604) 13.955 10.063 ( 7.075 -4.538 10.214) 13.227 10.491 ( 3.206 2.161 -9.387) 10.152 11.140 ( -9.081 1.565 3.554) 9.876 11.254 ( 13.115 0.700 10.448) 16.782 11.756 ( -4.446 -1.187 -5.439) 7.125 12.125 ( 0.855 1.067 -1.958) 2.388 12.260 ( -7.547 1.274 -4.368) 8.812 15.165 ( -7.285 5.262 -1.769) 9.159 15.456 ( -11.171 0.116 2.976) 11.562 17.451 ( 2.512 -2.992 -3.750) 5.415 17.892 ( 0.785 -4.369 2.057) 4.892 18.228 ( 2.317 3.262 0.107) 4.002 18.373 ( 2.659 2.423 0.085) 3.598 18.812 ( 17.251 -1.602 0.313) 17.328 18.951 ( 14.926 -5.897 -0.337) 16.052 22.651 ( -1.060 -1.076 -2.457) 2.884 22.770 ( -0.255 -3.450 1.986) 3.989 28.942 ( -0.420 -0.683 -2.590) 2.711 29.012 ( 1.013 0.501 0.961) 1.483 29.297 ( -1.561 -1.915 -6.147) 6.625 29.544 ( 18.868 -9.167 17.845) 27.541 30.283 ( -3.161 0.759 -0.016) 3.251 30.735 ( -4.369 0.931 -3.241) 5.519 30.918 ( 1.029 -0.641 7.747) 7.841 31.797 ( 5.409 4.888 -13.417) 15.270 33.065 ( -6.212 14.927 0.590) 16.178 34.325 ( -4.925 -3.945 -6.513) 9.069 35.039 ( 8.627 3.886 -2.223) 9.720 35.401 ( -1.278 -9.234 9.299) 13.167 46.291 ( -3.445 3.284 4.479) 6.536 46.639 ( -3.139 1.914 -3.498) 5.075 90.565 ( 14.257 -2.605 -3.307) 14.865 90.850 ( 15.142 -0.939 2.517) 15.378 91.709 ( -5.849 8.974 -0.312) 10.716 92.189 ( 5.490 1.082 2.785) 6.250 ======================= Grid point 166 (76/196) ======================= q-point: (-0.10 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.833 ( -11.010 9.481 -1.388) 14.595 2.989 ( -3.070 2.259 -2.315) 4.460 3.386 ( -15.930 20.127 6.627) 26.510 3.822 ( 3.847 -1.445 -4.605) 6.172 4.148 ( -5.351 2.324 -11.854) 13.212 4.257 ( 7.661 8.040 4.983) 12.172 4.701 ( -0.692 -4.435 -9.156) 10.197 5.047 ( 2.210 -2.641 -3.818) 5.141 5.612 ( 0.043 3.061 0.885) 3.187 5.792 ( 20.019 1.871 -3.365) 20.386 6.094 ( -3.009 7.811 16.969) 18.921 6.506 ( -9.737 -6.956 12.614) 17.386 7.085 ( -2.418 -3.137 -6.371) 7.502 7.589 ( 6.136 -1.954 2.887) 7.057 7.987 ( -5.999 -0.849 -5.393) 8.111 8.245 ( 1.612 -1.481 0.760) 2.317 9.032 ( 2.520 2.942 -2.310) 4.510 9.614 ( 0.713 1.884 -0.823) 2.176 9.957 ( 3.361 -9.555 -8.544) 13.251 10.331 ( 8.195 -4.209 10.164) 13.718 10.404 ( 4.004 4.394 -10.768) 12.300 11.004 ( -10.604 2.933 7.288) 13.197 11.526 ( 12.047 0.536 12.855) 17.626 11.556 ( -12.040 0.841 -10.229) 15.821 12.108 ( 0.182 0.199 -0.396) 0.479 12.194 ( -0.815 0.239 0.181) 0.869 15.030 ( -0.543 3.463 -3.817) 5.183 15.320 ( -8.828 0.997 3.462) 9.534 17.509 ( 3.198 -3.624 -4.371) 6.516 17.969 ( 1.842 -2.441 0.232) 3.067 18.242 ( 0.797 0.547 3.098) 3.246 18.365 ( 0.971 2.958 0.545) 3.160 19.048 ( 11.980 -0.921 -0.970) 12.055 19.180 ( 6.477 -3.531 0.474) 7.392 22.631 ( 0.600 -0.554 -4.095) 4.176 22.839 ( -0.349 -3.147 5.468) 6.318 28.908 ( -1.110 -1.541 -5.636) 5.947 29.042 ( 1.288 0.417 2.935) 3.233 29.275 ( 2.173 -0.305 -4.926) 5.393 29.974 ( 8.430 -3.818 3.734) 9.979 30.239 ( -0.927 -1.655 1.716) 2.558 30.634 ( -3.041 1.837 -4.343) 5.611 31.013 ( 1.637 -0.765 9.800) 9.965 31.695 ( 2.028 4.274 -7.572) 8.928 32.843 ( -4.273 7.742 1.890) 9.043 34.231 ( -5.660 -2.071 -5.901) 8.435 35.094 ( 11.137 6.343 -6.934) 14.572 35.566 ( -3.896 -9.235 12.131) 15.736 46.230 ( -3.106 2.779 3.311) 5.323 46.565 ( -1.221 0.688 -2.679) 3.024 90.795 ( 12.540 -5.025 -3.742) 14.018 91.082 ( 11.396 0.261 3.607) 11.957 91.474 ( -9.309 6.521 -3.136) 11.791 92.278 ( 6.527 5.301 5.447) 10.018 ======================= Grid point 173 (77/196) ======================= q-point: (-0.40 -0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.198 ( -0.418 -0.000 6.461) 6.475 3.381 ( -1.397 -0.000 -0.462) 1.471 3.733 ( 1.679 0.000 -2.384) 2.916 4.436 ( 16.566 0.000 -0.320) 16.570 4.459 ( -12.776 -0.000 5.099) 13.756 4.620 ( 0.158 0.000 6.420) 6.422 5.000 ( 8.563 0.000 -5.012) 9.922 5.066 ( -11.109 -0.000 -13.173) 17.232 5.373 ( -4.690 -0.000 -11.571) 12.485 5.872 ( -6.622 -0.000 4.438) 7.972 5.894 ( 2.378 0.000 7.076) 7.465 6.665 ( 0.213 0.000 21.557) 21.559 6.775 ( 9.994 0.000 -0.775) 10.024 7.284 ( -3.653 -0.000 -12.593) 13.112 8.124 ( -11.841 -0.000 6.960) 13.735 8.208 ( -5.264 -0.000 -5.424) 7.558 9.409 ( 7.267 0.000 -3.311) 7.986 9.471 ( 9.524 0.000 0.304) 9.528 9.648 ( -1.685 -0.000 -11.401) 11.525 9.760 ( 5.822 0.000 15.381) 16.446 10.493 ( 5.835 0.000 -6.504) 8.738 11.029 ( 11.411 0.000 5.389) 12.619 11.273 ( -6.422 -0.000 -0.553) 6.446 11.717 ( 2.661 0.000 1.135) 2.893 12.116 ( 3.233 0.000 0.345) 3.251 12.529 ( -9.266 -0.000 -12.678) 15.703 15.489 ( -11.127 -0.000 0.842) 11.159 15.568 ( -13.649 -0.000 1.360) 13.717 17.399 ( -0.906 -0.000 -1.086) 1.414 17.806 ( -3.373 -0.000 0.490) 3.409 18.315 ( 2.243 0.000 -0.415) 2.281 18.355 ( 4.810 0.000 -0.561) 4.843 18.463 ( 21.383 0.000 3.583) 21.681 18.549 ( 16.321 0.000 -3.461) 16.684 22.623 ( -0.551 -0.000 1.989) 2.064 22.732 ( -1.565 -0.000 -4.111) 4.399 28.919 ( 15.420 0.000 17.153) 23.065 28.965 ( -0.769 -0.000 -2.206) 2.337 29.019 ( 3.550 0.000 5.358) 6.427 29.339 ( -4.455 -0.000 -7.114) 8.394 30.334 ( -1.521 -0.000 3.837) 4.127 30.844 ( -0.036 -0.000 4.555) 4.555 30.855 ( -5.589 -0.000 -4.293) 7.048 31.852 ( 8.660 0.000 -12.880) 15.520 33.596 ( -1.221 -0.000 -2.025) 2.365 34.223 ( -1.562 -0.000 -6.544) 6.728 34.987 ( -0.458 -0.000 9.952) 9.962 35.213 ( 1.087 0.000 -0.656) 1.270 46.379 ( -3.091 -0.000 5.312) 6.146 46.773 ( -4.104 -0.000 -3.777) 5.577 90.361 ( 11.012 0.000 -2.776) 11.356 90.589 ( 13.840 0.000 2.012) 13.985 91.952 ( 7.556 0.000 11.967) 14.153 92.122 ( -6.818 -0.000 -9.217) 11.464 ======================= Grid point 174 (78/196) ======================= q-point: (-0.30 -0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.183 ( -5.143 0.781 3.297) 6.159 3.277 ( -10.136 3.238 -0.004) 10.640 3.732 ( -1.089 -0.359 -1.617) 1.982 4.291 ( -5.720 5.827 3.351) 8.826 4.439 ( -15.469 6.544 3.738) 17.207 4.615 ( 2.294 9.080 -6.170) 11.215 4.856 ( -9.691 -2.141 -9.417) 13.681 5.063 ( 6.447 1.382 -9.947) 11.934 5.309 ( 11.688 -1.510 -4.184) 12.506 5.774 ( -0.199 5.200 2.687) 5.857 5.997 ( -7.071 -8.559 9.989) 14.934 6.717 ( 0.985 11.127 11.768) 16.226 6.953 ( 2.006 -7.613 -2.174) 8.167 7.234 ( 1.758 -4.474 2.021) 5.214 8.044 ( -5.248 -0.813 4.161) 6.747 8.117 ( -3.469 -2.541 -3.017) 5.253 9.360 ( 1.042 8.196 -8.387) 11.773 9.557 ( 2.876 -6.762 -10.242) 12.605 9.689 ( 8.992 0.789 1.615) 9.170 9.974 ( 6.242 -2.208 12.802) 14.412 10.533 ( 7.283 0.965 -9.056) 11.661 11.150 ( -7.200 -0.100 4.071) 8.272 11.289 ( 12.966 1.140 7.590) 15.067 11.732 ( -1.950 -0.596 -3.390) 3.956 12.160 ( 2.915 1.151 -0.261) 3.145 12.285 ( -9.982 0.468 -8.130) 12.883 15.290 ( -9.876 3.947 -0.839) 10.669 15.430 ( -10.392 -1.855 4.124) 11.334 17.399 ( 2.249 -1.049 -3.487) 4.280 17.803 ( 0.322 -2.037 1.412) 2.500 18.313 ( 0.720 2.572 0.678) 2.756 18.410 ( 3.111 0.533 -0.031) 3.156 18.771 ( 15.137 -1.529 -1.989) 15.343 18.828 ( 19.230 -2.649 1.493) 19.469 22.640 ( 0.236 0.194 1.151) 1.191 22.694 ( -0.381 -2.108 -2.644) 3.402 28.928 ( -1.321 -0.326 -4.180) 4.396 29.029 ( 1.527 0.524 1.418) 2.148 29.257 ( -0.578 -1.010 -5.553) 5.673 29.389 ( 18.378 -3.078 20.847) 27.961 30.301 ( -3.326 0.445 -1.490) 3.672 30.745 ( -4.517 0.072 -3.885) 5.958 30.909 ( 0.921 -0.119 10.129) 10.171 31.878 ( 9.165 1.467 -15.361) 17.947 33.460 ( -3.698 12.747 -2.900) 13.586 34.174 ( -5.267 -6.690 -5.621) 10.202 35.070 ( 1.150 -0.875 10.483) 10.582 35.251 ( 2.965 -2.073 -0.984) 3.749 46.351 ( -4.721 1.263 5.329) 7.230 46.673 ( -4.436 0.683 -4.011) 6.019 90.527 ( 13.121 -0.599 -3.041) 13.482 90.835 ( 15.605 -0.271 3.031) 15.899 91.899 ( -7.941 4.881 -7.901) 12.220 92.189 ( 8.608 -0.717 12.482) 15.179 ======================= Grid point 175 (79/196) ======================= q-point: (-0.20 -0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.977 ( -21.556 2.802 0.582) 21.745 3.089 ( -8.454 2.492 -2.304) 9.110 3.653 ( -10.049 2.575 4.088) 11.150 4.021 ( -10.829 13.553 -6.035) 18.368 4.183 ( -8.077 1.850 -6.032) 10.249 4.453 ( -9.174 6.201 1.070) 11.124 4.638 ( -4.038 0.691 -3.698) 5.519 5.044 ( 3.371 1.677 -7.615) 8.495 5.603 ( 15.087 -5.647 -5.071) 16.888 5.789 ( 8.545 1.962 -0.627) 8.790 6.040 ( -11.849 -9.416 9.736) 17.996 6.619 ( -5.332 10.625 11.835) 16.775 6.976 ( -2.463 -3.161 -4.786) 6.242 7.440 ( 4.372 -8.834 10.025) 14.059 7.980 ( -4.207 0.491 -2.134) 4.743 8.177 ( 5.283 -3.341 1.178) 6.360 9.197 ( 0.742 8.639 -7.529) 11.483 9.596 ( 1.074 -4.977 -7.770) 9.290 9.811 ( 6.207 -0.398 -0.535) 6.242 10.210 ( 8.459 -4.627 10.852) 14.517 10.531 ( 6.987 4.681 -11.765) 14.462 11.060 ( -7.354 1.232 5.034) 8.997 11.542 ( 11.041 0.627 11.235) 15.764 11.577 ( -10.967 0.603 -9.019) 14.212 12.128 ( -0.871 1.128 -1.609) 2.149 12.211 ( 1.358 0.801 0.735) 1.739 15.120 ( -4.008 3.339 -2.991) 6.013 15.338 ( -8.430 0.309 5.802) 10.238 17.437 ( 4.122 -1.946 -4.975) 6.747 17.876 ( 2.170 -3.969 1.510) 4.769 18.293 ( 0.117 2.837 1.750) 3.335 18.427 ( 0.828 1.680 0.182) 1.882 18.973 ( 8.402 -4.399 -2.353) 9.771 19.115 ( 13.163 -1.091 2.208) 13.391 22.627 ( 1.395 0.332 -4.156) 4.396 22.757 ( 1.856 -3.134 4.451) 5.751 28.876 ( -1.262 -0.933 -5.885) 6.091 29.053 ( 1.174 0.420 1.538) 1.980 29.261 ( 3.875 -0.638 -3.563) 5.303 29.849 ( 16.289 -4.450 16.077) 23.316 30.221 ( -3.706 -0.080 -3.231) 4.918 30.663 ( -2.161 0.398 -4.536) 5.040 31.005 ( 0.439 0.161 12.454) 12.462 31.846 ( 6.898 5.058 -16.094) 18.226 33.160 ( -7.562 16.289 -1.180) 17.997 34.128 ( -6.507 -6.528 -6.528) 11.295 35.191 ( 7.506 0.801 2.051) 7.822 35.343 ( -0.840 -6.495 7.789) 10.176 46.290 ( -5.449 1.769 4.610) 7.354 46.577 ( -3.385 0.282 -3.633) 4.974 90.713 ( 12.001 -1.791 -2.726) 12.437 91.086 ( 13.656 0.048 3.591) 14.121 91.632 ( -10.814 5.131 -8.060) 14.430 92.408 ( 9.398 4.453 14.446) 17.800 ======================= Grid point 176 (80/196) ======================= q-point: (-0.10 -0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.608 ( -21.767 -0.848 -1.426) 21.830 2.854 ( -14.124 -0.378 -10.062) 17.346 3.379 ( -17.294 11.929 8.436) 22.640 3.805 ( -1.223 0.705 -4.720) 4.927 3.942 ( -10.948 -0.536 -10.725) 15.336 4.300 ( -7.891 -3.135 -3.389) 9.142 4.659 ( 3.531 -0.464 3.925) 5.300 5.047 ( 4.340 -1.292 -4.340) 6.272 5.692 ( 3.420 4.076 -0.055) 5.321 5.931 ( -16.066 -17.773 3.619) 24.230 6.067 ( 7.788 -0.815 -3.377) 8.528 6.489 ( -6.052 13.384 18.499) 23.621 6.944 ( -1.489 -5.107 -7.351) 9.074 7.602 ( -4.046 -1.637 2.625) 5.093 7.941 ( 3.951 -2.429 -2.149) 5.112 8.308 ( 6.536 0.106 2.247) 6.912 9.094 ( 1.606 4.340 -0.736) 4.686 9.601 ( -0.424 -1.896 -4.202) 4.629 9.863 ( 1.524 -1.637 -5.741) 6.161 10.403 ( 2.269 2.626 -3.887) 5.211 10.554 ( 13.070 -1.613 1.463) 13.250 10.976 ( -5.222 4.145 7.663) 10.157 11.315 ( -11.213 0.889 -8.956) 14.379 11.771 ( 7.924 -0.494 9.787) 12.603 12.126 ( 1.879 0.326 1.029) 2.167 12.228 ( 2.134 2.190 1.552) 3.429 15.053 ( 3.272 1.953 -4.635) 6.000 15.249 ( -7.297 1.733 5.916) 9.552 17.492 ( 4.345 -2.356 -5.073) 7.083 17.969 ( 2.560 -3.388 -0.061) 4.247 18.274 ( -1.462 1.487 3.395) 3.984 18.396 ( -1.790 2.256 0.742) 2.974 19.080 ( -0.776 -5.462 -2.394) 6.014 19.271 ( 5.847 1.901 2.466) 6.624 22.627 ( 3.120 0.013 -4.630) 5.583 22.867 ( 2.340 -1.489 7.597) 8.088 28.842 ( 0.489 -1.216 -4.998) 5.167 29.070 ( 0.188 0.124 0.727) 0.761 29.328 ( 7.483 0.632 -2.041) 7.782 30.017 ( -2.062 4.253 -5.916) 7.572 30.269 ( 5.114 -2.275 5.472) 7.828 30.589 ( -0.886 1.624 -5.653) 5.948 31.102 ( 0.277 -0.598 12.257) 12.275 31.735 ( 2.700 5.986 -9.295) 11.380 32.875 ( -7.333 8.825 1.514) 11.574 34.061 ( -4.125 -5.262 -8.667) 10.946 35.268 ( 9.235 4.384 -6.688) 12.216 35.497 ( -4.035 -7.543 16.700) 18.763 46.219 ( -4.937 1.270 3.425) 6.141 46.523 ( -1.163 -1.188 -2.771) 3.231 90.877 ( 7.859 -2.490 -2.449) 8.601 91.268 ( 5.237 -0.009 2.271) 5.708 91.350 ( -8.722 5.900 -4.330) 11.385 92.531 ( 4.988 10.107 12.944) 17.163 ======================= Grid point 184 (81/196) ======================= q-point: (-0.30 -0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.026 ( -16.711 -0.000 1.161) 16.752 3.086 ( -19.072 -0.000 -0.331) 19.075 3.693 ( -2.970 -0.000 -1.443) 3.302 4.158 ( -17.042 -0.000 -2.962) 17.297 4.267 ( -14.632 -0.000 -0.886) 14.659 4.525 ( -5.161 -0.000 -3.686) 6.342 4.704 ( -12.054 -0.000 -1.724) 12.176 5.065 ( 2.496 0.000 -9.681) 9.998 5.514 ( 20.108 0.000 -7.860) 21.589 5.772 ( -22.070 -0.000 13.795) 26.026 5.928 ( 12.137 0.000 -0.731) 12.159 6.715 ( -2.410 -0.000 -16.960) 17.131 7.067 ( 5.119 0.000 20.744) 21.366 7.221 ( -7.127 -0.000 12.712) 14.573 7.999 ( -5.396 -0.000 -2.249) 5.846 8.120 ( 9.981 0.000 1.720) 10.128 9.383 ( -3.847 -0.000 -3.662) 5.312 9.452 ( 6.624 0.000 -14.534) 15.972 9.835 ( 8.833 0.000 -0.726) 8.863 10.135 ( 4.538 0.000 13.029) 13.797 10.600 ( 10.155 0.000 -11.633) 15.442 11.073 ( -6.220 -0.000 3.688) 7.231 11.552 ( 10.645 0.000 10.856) 15.205 11.584 ( -10.910 -0.000 -9.236) 14.294 12.146 ( -2.537 -0.000 -2.234) 3.380 12.222 ( 3.416 0.000 0.789) 3.506 15.170 ( -6.469 -0.000 -3.136) 7.189 15.339 ( -6.863 -0.000 7.945) 10.499 17.412 ( 4.530 0.000 -5.273) 6.952 17.817 ( 1.768 0.000 1.460) 2.293 18.340 ( -0.410 -0.000 1.442) 1.499 18.447 ( 1.053 0.000 0.463) 1.150 18.903 ( 7.691 0.000 -3.395) 8.407 19.104 ( 15.151 0.000 3.050) 15.455 22.640 ( 0.990 0.000 -5.691) 5.776 22.705 ( 3.330 0.000 5.641) 6.551 28.863 ( -1.314 -0.000 -5.880) 6.025 29.059 ( 0.980 0.000 0.830) 1.284 29.252 ( 4.691 0.000 -3.016) 5.577 29.789 ( 17.376 0.000 19.090) 25.814 30.221 ( -4.209 -0.000 -4.605) 6.238 30.666 ( -1.899 -0.000 -4.406) 4.797 31.009 ( 0.251 0.000 13.518) 13.520 31.910 ( 9.540 0.000 -17.632) 20.048 33.469 ( -3.553 -0.000 -7.013) 7.861 33.970 ( -9.793 -0.000 -3.718) 10.475 35.161 ( -0.919 -0.000 17.686) 17.710 35.286 ( 6.064 0.000 -5.297) 8.052 46.313 ( -6.338 -0.000 5.132) 8.155 46.580 ( -4.222 -0.000 -4.013) 5.825 90.692 ( 11.746 0.000 -2.468) 12.002 91.086 ( 14.118 0.000 3.662) 14.585 91.702 ( -10.994 -0.000 -10.810) 15.418 92.471 ( 11.658 0.000 19.007) 22.297 ======================= Grid point 185 (82/196) ======================= q-point: (-0.20 -0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.650 ( -27.562 3.965 -0.934) 27.862 2.785 ( -24.678 -5.065 -3.680) 25.460 3.574 ( -11.402 4.784 3.749) 12.921 3.829 ( -18.348 -2.481 -7.050) 19.812 4.027 ( -9.714 5.052 -6.177) 12.572 4.335 ( -15.380 8.471 -0.316) 17.561 4.589 ( -4.385 -6.621 4.143) 8.957 5.041 ( 4.270 -0.027 -8.141) 9.193 5.518 ( -31.489 -10.133 11.850) 35.137 5.732 ( 13.091 -1.531 -7.405) 15.118 6.108 ( 15.703 3.914 -5.566) 17.114 6.609 ( -0.281 -4.032 -10.368) 11.128 7.040 ( -5.820 13.166 13.948) 20.043 7.415 ( 0.457 -11.620 13.316) 17.679 7.914 ( -3.129 -0.169 -0.969) 3.280 8.299 ( 9.662 -0.343 1.047) 9.724 9.252 ( -2.148 5.727 -2.129) 6.477 9.500 ( 5.409 -4.166 -11.013) 12.958 9.915 ( 4.340 3.684 -0.505) 5.715 10.318 ( 3.306 -5.046 10.666) 12.254 10.651 ( 13.358 4.612 -13.304) 19.409 11.024 ( -3.743 0.070 4.757) 6.053 11.332 ( -11.067 0.391 -9.407) 14.530 11.753 ( 5.886 -0.619 8.942) 10.723 12.138 ( 1.588 0.388 0.085) 1.637 12.277 ( 3.424 1.186 2.033) 4.155 15.088 ( 0.588 0.736 -4.241) 4.344 15.301 ( -6.498 1.622 9.817) 11.884 17.452 ( 5.560 -0.771 -6.208) 8.369 17.874 ( 2.086 -2.767 0.860) 3.571 18.326 ( -1.483 1.714 1.804) 2.896 18.441 ( -1.610 1.000 0.380) 1.933 18.952 ( -1.114 -3.382 -2.742) 4.495 19.306 ( 8.849 0.718 3.565) 9.567 22.628 ( 3.055 0.059 -5.509) 6.300 22.834 ( 5.624 -0.836 8.609) 10.317 28.820 ( 0.789 -0.449 -4.873) 4.956 29.073 ( 0.488 0.070 0.063) 0.497 29.336 ( 8.413 0.108 -1.574) 8.560 30.096 ( -0.062 2.534 -1.791) 3.104 30.184 ( 9.820 -3.443 9.734) 14.249 30.619 ( 0.742 0.508 -6.131) 6.197 31.101 ( -1.315 0.275 13.883) 13.948 31.892 ( 8.390 3.834 -18.620) 20.780 33.219 ( -8.293 15.021 -6.344) 18.294 33.861 ( -8.992 -9.705 -6.371) 14.685 35.320 ( 3.332 -1.804 14.025) 14.528 35.342 ( 2.635 -1.508 2.477) 3.918 46.243 ( -6.885 0.517 4.425) 8.201 46.499 ( -2.950 -0.542 -3.557) 4.653 90.838 ( 8.954 -0.695 -1.574) 9.118 91.262 ( 1.975 -0.139 0.819) 2.142 91.467 ( -4.520 2.553 -6.547) 8.356 92.764 ( 10.905 6.141 21.206) 24.624 ======================= Grid point 186 (83/196) ======================= q-point: (-0.10 -0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( -28.588 -2.805 -3.915) 28.991 2.420 ( -26.846 -7.342 -6.838) 28.659 3.315 ( -16.389 7.438 8.144) 19.755 3.608 ( -16.625 -8.269 -3.148) 18.833 3.765 ( -8.186 5.409 -4.579) 10.827 4.062 ( -13.440 -1.956 -2.674) 13.842 4.619 ( -9.567 -9.372 1.874) 13.523 5.085 ( -1.855 -4.481 -0.810) 4.917 5.297 ( -21.963 -12.539 8.030) 26.535 5.828 ( 8.522 2.448 -9.322) 12.865 6.200 ( 10.359 3.712 -7.985) 13.596 6.634 ( 0.447 -1.597 1.965) 2.571 6.894 ( -3.812 7.832 5.773) 10.450 7.508 ( -8.033 -0.805 2.553) 8.468 7.972 ( 7.251 -4.624 -0.021) 8.600 8.416 ( 4.526 -0.709 1.682) 4.880 9.176 ( -0.256 4.492 3.507) 5.704 9.532 ( 2.402 -2.887 -8.320) 9.129 9.849 ( -3.838 5.185 -2.480) 6.911 10.423 ( 0.123 -0.571 -0.213) 0.622 10.708 ( 5.747 5.262 -0.570) 7.813 11.093 ( 10.859 -0.359 4.587) 11.793 11.138 ( -5.731 0.732 -6.557) 8.740 11.878 ( 2.637 -2.198 3.535) 4.928 12.179 ( 3.450 -0.850 1.645) 3.915 12.323 ( 3.368 2.664 3.177) 5.342 15.118 ( 8.386 0.285 -4.376) 9.463 15.231 ( -7.542 3.793 9.189) 12.479 17.505 ( 5.550 -1.251 -5.535) 7.937 17.954 ( 2.183 -4.098 -0.613) 4.684 18.283 ( -2.988 1.757 2.371) 4.199 18.381 ( -4.610 1.720 1.191) 5.063 18.910 ( -9.192 -5.247 -2.718) 10.927 19.393 ( 2.368 3.789 3.773) 5.848 22.647 ( 4.105 -0.204 -4.749) 6.281 22.999 ( 5.806 1.516 12.162) 13.562 28.828 ( 2.801 -0.473 -2.499) 3.784 29.069 ( -0.282 0.378 -1.423) 1.499 29.466 ( 10.790 0.972 -1.264) 10.907 29.971 ( -4.398 4.686 -6.687) 9.275 30.373 ( 3.477 5.075 -2.910) 6.806 30.570 ( 1.845 0.816 -5.380) 5.745 31.173 ( -2.168 -0.818 12.500) 12.713 31.790 ( 4.014 6.898 -11.724) 14.182 32.861 ( -11.019 9.883 -0.827) 14.824 33.831 ( -3.282 -10.939 -12.122) 16.655 35.368 ( 5.439 2.031 -5.955) 8.317 35.545 ( -0.865 -2.691 25.395) 25.552 46.168 ( -6.120 0.051 3.450) 7.026 46.464 ( -0.741 -2.336 -2.795) 3.717 90.924 ( 0.260 1.172 -2.068) 2.391 91.108 ( -9.413 -2.240 -4.596) 10.713 91.483 ( 5.643 5.195 2.646) 8.114 92.879 ( 2.933 17.720 18.547) 25.819 ======================= Grid point 195 (84/196) ======================= q-point: (-0.20 -0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( -34.922 -0.000 3.272) 35.075 2.242 ( -31.390 -0.000 -8.559) 32.536 3.436 ( -23.717 -0.000 -0.093) 23.717 3.443 ( -17.815 -0.000 6.321) 18.903 3.885 ( -7.700 -0.000 -6.295) 9.946 4.183 ( -15.813 -0.000 -1.231) 15.861 4.332 ( -20.565 -0.000 0.586) 20.574 4.970 ( -27.197 -0.000 4.788) 27.615 5.191 ( 7.624 0.000 2.162) 7.924 5.833 ( 11.628 0.000 -14.049) 18.237 6.334 ( 12.610 0.000 -2.136) 12.790 6.494 ( 1.568 0.000 -10.817) 10.930 7.116 ( -8.457 -0.000 9.349) 12.607 7.426 ( -3.441 -0.000 12.663) 13.122 7.908 ( 4.611 0.000 -0.302) 4.620 8.403 ( 4.046 0.000 -0.560) 4.085 9.246 ( -2.792 -0.000 4.748) 5.508 9.487 ( 5.678 0.000 -13.181) 14.352 9.965 ( -2.989 -0.000 -1.104) 3.186 10.367 ( -1.966 -0.000 10.354) 10.539 10.877 ( 25.337 0.000 -11.139) 27.678 11.006 ( -2.472 -0.000 4.815) 5.413 11.151 ( -4.903 -0.000 -7.869) 9.272 11.837 ( 0.183 0.000 3.942) 3.946 12.173 ( 2.288 0.000 0.411) 2.324 12.359 ( 3.710 0.000 2.905) 4.712 15.120 ( 7.442 0.000 -3.914) 8.408 15.296 ( -7.291 -0.000 12.220) 14.229 17.489 ( 6.219 0.000 -6.554) 9.035 17.885 ( 1.725 0.000 -0.044) 1.726 18.317 ( -2.679 -0.000 1.460) 3.051 18.403 ( -4.706 -0.000 0.132) 4.708 18.832 ( -9.042 -0.000 -2.231) 9.313 19.444 ( 4.812 0.000 4.660) 6.699 22.643 ( 4.129 0.000 -5.058) 6.530 23.020 ( 8.379 0.000 13.753) 16.105 28.822 ( 3.299 0.000 -2.440) 4.103 29.073 ( 0.006 0.000 -1.174) 1.174 29.479 ( 11.343 0.000 -0.895) 11.378 30.021 ( -3.937 -0.000 -4.393) 5.899 30.420 ( 10.781 0.000 5.407) 12.061 30.599 ( 3.264 0.000 -10.179) 10.689 31.164 ( -3.815 -0.000 13.175) 13.716 31.911 ( 9.426 0.000 -20.560) 22.618 33.139 ( -8.144 -0.000 -15.309) 17.341 33.568 ( -12.866 -0.000 -3.195) 13.257 35.396 ( 6.613 0.000 -6.018) 8.942 35.494 ( 0.059 0.000 32.003) 32.003 46.169 ( -7.168 -0.000 3.948) 8.183 46.432 ( -1.934 -0.000 -3.187) 3.728 90.942 ( 6.367 0.000 -0.402) 6.379 91.076 ( -15.824 -0.000 -6.137) 16.972 91.549 ( 8.117 0.000 0.877) 8.164 93.162 ( 11.894 0.000 25.091) 27.767 ======================= Grid point 196 (85/196) ======================= q-point: (-0.10 -0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( -34.536 0.098 -2.371) 34.617 1.817 ( -34.215 -10.691 1.377) 35.872 3.135 ( -31.814 -10.938 10.087) 35.122 3.153 ( -25.293 1.914 8.959) 26.901 3.673 ( -11.007 7.663 -3.731) 13.921 3.842 ( -14.988 1.902 -0.791) 15.129 4.154 ( -21.107 -17.133 -2.109) 27.267 4.650 ( -20.330 -7.425 -0.966) 21.665 5.412 ( 15.718 0.796 1.613) 15.821 5.875 ( 9.550 0.195 -17.410) 19.858 6.362 ( 6.328 8.132 -5.410) 11.638 6.587 ( 4.975 -7.989 -1.384) 9.513 6.996 ( -6.081 8.428 6.183) 12.093 7.388 ( -10.298 -0.245 4.228) 11.134 8.037 ( 8.671 -3.181 -2.021) 9.455 8.442 ( 1.292 -1.763 0.009) 2.186 9.253 ( -1.398 4.665 6.334) 7.989 9.455 ( 1.958 -4.111 -12.101) 12.929 9.806 ( -9.719 5.684 -1.879) 11.415 10.386 ( -5.591 -1.933 5.956) 8.394 10.897 ( 1.758 13.211 0.551) 13.339 11.056 ( -1.118 0.403 -5.402) 5.531 11.338 ( 25.052 -4.826 1.600) 25.563 11.862 ( 0.253 -5.494 -0.137) 5.502 12.221 ( 3.096 -1.661 1.339) 3.760 12.422 ( 3.271 1.434 2.166) 4.177 15.231 ( -7.199 3.727 9.756) 12.684 15.260 ( 11.507 0.097 -1.638) 11.624 17.545 ( 6.525 -0.594 -4.742) 8.088 17.931 ( 2.226 -3.129 -1.146) 4.007 18.261 ( -5.091 1.948 1.204) 5.582 18.310 ( -7.450 -0.338 1.210) 7.556 18.667 ( -12.573 -2.691 -2.342) 13.069 19.501 ( 0.935 4.906 4.299) 6.589 22.675 ( 4.200 -0.164 -3.783) 5.655 23.262 ( 8.952 3.997 20.617) 22.830 28.873 ( 4.223 0.290 -0.079) 4.234 29.053 ( -0.489 0.596 -3.097) 3.192 29.646 ( 12.602 1.480 -2.678) 12.969 29.924 ( -3.673 3.253 -2.624) 5.564 30.400 ( -1.065 12.168 -30.112) 32.495 30.597 ( 4.183 -0.642 0.014) 4.232 31.187 ( -5.707 -1.398 10.826) 12.318 31.852 ( 5.781 6.062 -15.090) 17.259 32.773 ( -13.859 9.643 -7.221) 18.362 33.497 ( -5.280 -17.089 -11.905) 21.485 35.438 ( 5.569 2.044 -4.028) 7.171 35.774 ( 2.246 2.030 38.061) 38.181 46.096 ( -6.182 -0.427 3.292) 7.017 46.406 ( -0.190 -2.356 -2.645) 3.547 90.780 ( -15.434 1.505 -4.658) 16.191 91.037 ( 3.690 -2.366 0.303) 4.394 91.632 ( 4.200 4.304 0.956) 6.089 93.347 ( 4.614 24.469 19.120) 31.394 ======================= Grid point 206 (86/196) ======================= q-point: (-0.10 -0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( -33.982 -0.000 8.765) 35.094 1.191 ( -40.231 -0.000 12.102) 42.011 2.462 ( -62.702 -0.000 24.151) 67.192 2.803 ( -29.863 -0.000 10.484) 31.650 3.563 ( -12.191 -0.000 -2.086) 12.368 3.601 ( -5.292 -0.000 -4.002) 6.635 3.869 ( -4.773 -0.000 0.833) 4.845 4.326 ( -11.729 -0.000 -8.180) 14.300 5.634 ( 10.853 0.000 -1.261) 10.926 5.895 ( 10.650 0.000 -17.706) 20.662 6.446 ( 3.061 0.000 -6.518) 7.201 6.628 ( 7.484 0.000 1.003) 7.550 6.981 ( -5.460 -0.000 -0.002) 5.460 7.246 ( -12.348 -0.000 3.152) 12.744 8.111 ( 7.102 0.000 -4.413) 8.362 8.451 ( 1.610 0.000 1.474) 2.182 9.217 ( -9.268 -0.000 -25.243) 26.890 9.400 ( 1.624 0.000 13.230) 13.329 9.685 ( -8.032 -0.000 -0.697) 8.062 10.301 ( -9.177 -0.000 5.252) 10.574 10.980 ( -1.246 -0.000 -8.863) 8.950 11.018 ( -2.007 -0.000 3.816) 4.311 11.750 ( -4.434 -0.000 -1.365) 4.639 11.824 ( 34.019 0.000 5.561) 34.471 12.269 ( 4.659 0.000 3.077) 5.584 12.483 ( 2.380 0.000 0.335) 2.404 15.188 ( -11.600 -0.000 9.573) 15.040 15.463 ( 16.053 0.000 -2.643) 16.269 17.626 ( 8.091 0.000 -1.037) 8.157 17.938 ( 2.884 0.000 -1.432) 3.220 18.127 ( -13.912 -0.000 0.328) 13.916 18.234 ( -3.824 -0.000 1.642) 4.161 18.472 ( -9.060 -0.000 -1.433) 9.173 19.582 ( 0.966 0.000 -2.649) 2.819 22.713 ( 3.761 0.000 -2.001) 4.261 23.691 ( 17.581 0.000 34.181) 38.437 28.946 ( 3.934 0.000 1.187) 4.109 29.019 ( -0.571 -0.000 -6.884) 6.908 29.808 ( 9.172 0.000 -8.123) 12.252 29.929 ( 1.117 0.000 7.491) 7.573 30.012 ( -19.625 -0.000 -82.279) 84.587 30.651 ( 3.319 0.000 -0.654) 3.383 31.132 ( -8.837 -0.000 8.152) 12.023 31.862 ( 3.675 0.000 -14.789) 15.239 32.554 ( -14.297 -0.000 -9.470) 17.149 33.173 ( -8.783 -0.000 -3.555) 9.476 35.514 ( 5.442 0.000 -2.060) 5.819 36.250 ( 15.017 0.000 47.760) 50.065 46.029 ( -5.102 -0.000 2.911) 5.874 46.369 ( 0.174 0.000 -2.287) 2.294 90.539 ( -12.737 -0.000 -3.295) 13.156 91.078 ( 2.489 0.000 1.255) 2.788 91.722 ( 3.105 0.000 -0.770) 3.199 93.742 ( 6.357 0.000 -14.294) 15.644 ======================= Grid point 207 (87/196) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( -1.090 -0.000 28.623) 28.644 1.511 ( -13.211 -0.000 28.033) 30.990 2.268 ( -25.966 -0.000 46.837) 53.553 2.593 ( -10.647 -0.000 15.261) 18.608 3.375 ( 2.292 0.000 -3.795) 4.433 3.478 ( 1.095 0.000 -1.103) 1.554 3.890 ( 12.885 0.000 -12.080) 17.662 4.040 ( 5.762 0.000 4.525) 7.327 5.747 ( 17.676 0.000 -14.433) 22.820 6.008 ( 5.220 0.000 -15.096) 15.973 6.275 ( -2.358 -0.000 -2.298) 3.293 6.636 ( 2.853 0.000 -11.178) 11.536 6.820 ( -11.043 -0.000 -0.900) 11.080 6.861 ( -1.566 -0.000 -2.625) 3.056 8.180 ( 7.893 0.000 -0.933) 7.948 8.354 ( -0.086 -0.000 -3.474) 3.475 9.077 ( 23.335 0.000 18.501) 29.779 9.666 ( -20.824 -0.000 11.035) 23.567 9.977 ( -4.966 -0.000 -6.181) 7.929 10.039 ( 22.553 0.000 2.337) 22.673 10.744 ( 2.865 0.000 -2.656) 3.907 10.908 ( -6.343 -0.000 -4.845) 7.982 11.804 ( 2.320 0.000 6.913) 7.292 12.255 ( 0.747 0.000 1.277) 1.479 12.367 ( -14.163 -0.000 -6.712) 15.673 12.435 ( -0.999 -0.000 -3.296) 3.445 15.074 ( -3.990 -0.000 7.562) 8.550 15.632 ( 2.489 0.000 -6.893) 7.329 17.869 ( -23.886 -0.000 -0.495) 23.891 17.892 ( -3.477 -0.000 3.752) 5.116 17.994 ( 9.127 0.000 -2.259) 9.402 18.175 ( 0.262 0.000 -1.978) 1.995 18.243 ( 1.928 0.000 1.348) 2.352 18.316 ( 0.383 0.000 -0.382) 0.541 22.896 ( 5.069 0.000 5.048) 7.154 23.278 ( -25.788 -0.000 -5.267) 26.321 29.020 ( -1.053 -0.000 0.461) 1.149 29.027 ( 1.708 0.000 -0.175) 1.717 29.336 ( 59.087 0.000 4.943) 59.293 29.690 ( -5.807 -0.000 -5.061) 7.703 30.331 ( 2.098 0.000 7.299) 7.595 30.646 ( 1.480 0.000 -2.995) 3.341 31.032 ( -8.349 -0.000 6.047) 10.309 31.701 ( 8.372 0.000 -10.948) 13.782 32.490 ( 2.316 0.000 6.102) 6.527 32.905 ( 2.680 0.000 -5.856) 6.440 35.819 ( 6.161 0.000 8.872) 10.802 36.398 ( -30.618 -0.000 -6.588) 31.319 46.036 ( -2.588 -0.000 4.078) 4.830 46.311 ( 2.329 0.000 -3.222) 3.975 90.322 ( 5.267 0.000 -0.660) 5.308 90.328 ( -26.287 -0.000 -0.829) 26.300 91.236 ( -1.867 -0.000 5.585) 5.889 91.648 ( 0.399 0.000 -5.360) 5.375 ======================= Grid point 208 (88/196) ======================= q-point: ( 0.10 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 12.120 -6.192 22.972) 26.701 1.933 ( 15.824 -13.040 30.358) 36.634 2.322 ( 2.440 -10.032 23.481) 25.650 2.738 ( -2.440 -11.724 16.908) 20.719 3.405 ( 6.840 2.910 -3.148) 8.072 3.584 ( 7.400 -6.637 -1.134) 10.005 4.010 ( 12.163 0.647 -6.186) 13.661 4.246 ( 7.444 -12.659 1.169) 14.732 5.855 ( 6.864 7.915 -11.239) 15.365 5.866 ( 8.587 8.675 -16.773) 20.745 6.176 ( -6.517 -4.895 -4.263) 9.198 6.554 ( -7.608 0.630 -2.271) 7.964 6.757 ( 0.291 -8.083 -7.311) 10.903 6.895 ( 3.149 -3.609 1.628) 5.059 8.300 ( 6.520 1.294 0.053) 6.648 8.342 ( 3.839 -0.272 -5.019) 6.324 9.345 ( -17.399 5.870 8.110) 20.074 9.547 ( 14.917 0.429 10.121) 18.032 9.887 ( -0.878 -0.660 -5.830) 5.933 10.368 ( 14.542 0.063 2.311) 14.724 10.743 ( -2.555 4.624 -7.345) 9.047 10.843 ( 10.735 -0.275 -4.098) 11.494 11.802 ( -7.093 7.921 7.151) 12.814 12.040 ( -18.276 -2.670 -0.550) 18.478 12.265 ( -1.390 1.701 2.190) 3.102 12.374 ( -2.392 1.507 -2.931) 4.072 15.066 ( -7.632 -2.180 6.975) 10.566 15.566 ( -4.820 -1.257 -5.929) 7.744 17.632 ( -3.641 0.972 1.639) 4.110 17.899 ( 0.312 -1.623 -0.172) 1.662 18.144 ( 6.802 0.917 2.543) 7.320 18.201 ( -1.012 0.014 2.868) 3.041 18.395 ( 17.077 0.818 -5.502) 17.960 18.414 ( 13.033 -4.754 -0.733) 13.893 22.967 ( -13.039 1.464 -0.643) 13.137 23.007 ( 3.885 1.031 7.731) 8.714 28.995 ( 0.011 1.553 1.622) 2.246 29.042 ( 0.067 -0.300 -0.766) 0.825 29.493 ( -10.757 0.373 -11.326) 15.625 29.932 ( 27.623 7.493 -9.950) 30.301 30.391 ( -0.450 0.488 6.138) 6.173 30.653 ( 1.659 -0.489 -3.710) 4.093 31.003 ( -3.086 -0.028 8.255) 8.813 31.786 ( 18.237 7.753 -12.455) 23.406 32.597 ( 6.423 1.708 4.231) 7.879 33.080 ( 13.771 -18.320 -12.504) 26.108 35.750 ( -28.083 13.374 9.634) 32.563 36.004 ( -4.274 -2.286 8.336) 9.643 46.047 ( -1.390 -1.793 3.895) 4.507 46.344 ( 2.804 -2.525 -3.364) 5.055 90.319 ( 18.419 1.211 -4.165) 18.923 90.486 ( 15.960 0.724 2.433) 16.160 91.271 ( -1.597 -2.632 6.228) 6.947 91.643 ( -0.234 -5.399 -6.615) 8.542 ======================= Grid point 209 (89/196) ======================= q-point: ( 0.20 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 10.274 -5.842 12.300) 17.058 2.390 ( 10.101 -9.565 25.063) 28.665 2.924 ( 2.959 -12.075 14.485) 19.088 3.128 ( 31.346 -22.575 8.340) 39.519 3.487 ( 10.615 0.664 -2.287) 10.879 3.724 ( 5.083 -2.901 -7.478) 9.496 4.147 ( 9.570 -3.951 -6.643) 12.301 4.590 ( 8.899 -18.692 2.328) 20.833 5.696 ( 2.654 8.840 -11.139) 14.466 5.731 ( -0.993 8.630 -4.554) 9.809 6.228 ( 1.397 -5.357 -3.257) 6.423 6.448 ( 3.345 6.035 4.939) 8.485 6.836 ( 1.154 -11.990 -11.911) 16.940 7.057 ( 6.317 -7.160 2.762) 9.939 8.278 ( 0.837 2.062 -4.973) 5.448 8.423 ( 0.161 0.029 2.736) 2.741 9.095 ( -8.663 4.892 4.551) 10.940 9.635 ( -0.139 5.275 -1.462) 5.475 9.974 ( 7.964 -3.673 -0.028) 8.770 10.464 ( 0.715 6.049 -5.232) 8.030 10.593 ( -1.576 4.101 4.170) 6.057 11.009 ( 13.741 1.491 -4.413) 14.510 11.582 ( -10.291 6.038 7.825) 14.269 11.856 ( -12.147 -0.691 -3.493) 12.658 12.223 ( -2.462 2.664 2.337) 4.315 12.304 ( -1.960 1.484 -1.352) 2.806 15.002 ( -9.584 -2.371 4.578) 10.883 15.468 ( -6.046 -1.964 -2.911) 6.992 17.635 ( 4.178 3.939 -0.911) 5.814 17.936 ( 2.167 -2.327 -2.393) 3.979 18.180 ( -0.635 -0.300 3.612) 3.679 18.236 ( 3.243 1.427 2.800) 4.515 18.599 ( 17.212 0.834 -5.190) 17.997 18.764 ( 19.465 -5.965 0.880) 20.377 22.789 ( -7.930 1.481 -1.492) 8.204 23.087 ( 1.305 2.915 9.575) 10.094 28.994 ( -0.508 0.990 -0.056) 1.114 29.032 ( 0.465 0.889 -0.152) 1.015 29.254 ( -7.227 -1.038 -13.648) 15.478 29.989 ( 3.892 3.268 -11.354) 12.439 30.394 ( -2.049 1.518 3.952) 4.703 30.635 ( -0.455 0.109 -4.313) 4.338 31.048 ( -0.889 -0.267 11.283) 11.321 31.833 ( 15.974 13.403 -7.369) 22.116 32.693 ( 5.239 1.565 4.369) 6.999 33.485 ( 20.576 -19.405 -20.811) 35.114 35.256 ( -25.841 9.104 13.088) 30.363 36.051 ( -1.348 2.513 10.027) 10.424 46.093 ( -0.729 -3.376 3.704) 5.065 46.400 ( 3.078 -2.919 -3.305) 5.377 90.570 ( 24.039 5.398 -8.771) 26.152 90.774 ( 19.925 3.370 5.338) 20.902 91.334 ( -2.720 -4.429 5.380) 7.480 91.700 ( 3.355 -8.726 -5.795) 10.999 ======================= Grid point 210 (90/196) ======================= q-point: ( 0.30 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( 7.277 -7.158 2.210) 10.444 2.837 ( 6.243 -13.353 15.894) 21.677 3.098 ( 0.577 -0.319 8.140) 8.167 3.612 ( 12.828 -0.208 -12.788) 18.115 3.738 ( 4.969 -7.136 -5.952) 10.537 3.875 ( 18.763 -6.911 1.812) 20.077 4.364 ( 15.187 -12.346 -3.965) 19.970 4.930 ( 6.284 -11.605 1.795) 13.319 5.521 ( 0.232 6.028 -9.861) 11.560 5.699 ( 2.052 1.680 8.190) 8.608 6.201 ( -8.230 -1.529 9.392) 12.581 6.646 ( 23.182 4.888 1.399) 23.733 6.899 ( -0.842 -11.763 -13.474) 17.906 7.274 ( 8.211 -6.976 0.175) 10.776 8.226 ( -2.466 1.159 -4.894) 5.602 8.296 ( -14.664 3.235 5.645) 16.043 9.085 ( 8.320 4.796 5.585) 11.109 9.533 ( -2.215 1.248 -6.323) 6.815 10.086 ( 3.904 -1.321 -3.481) 5.395 10.245 ( -3.399 9.477 -10.326) 14.422 10.617 ( 0.415 3.926 10.189) 10.928 11.109 ( 1.377 -0.161 0.631) 1.523 11.550 ( 4.387 1.394 9.620) 10.664 11.619 ( -14.138 0.324 -5.896) 15.322 12.171 ( -1.848 2.375 1.888) 3.553 12.250 ( -2.220 1.390 -0.391) 2.649 14.926 ( -6.442 -1.934 0.953) 6.794 15.394 ( -5.224 -1.350 -0.340) 5.406 17.608 ( 2.533 5.731 -2.697) 6.821 17.963 ( 0.809 -0.665 -1.814) 2.094 18.243 ( 1.682 -3.361 3.955) 5.456 18.286 ( 3.491 1.577 2.256) 4.445 18.810 ( 15.505 -0.248 -3.697) 15.942 19.083 ( 13.328 -2.822 1.472) 13.702 22.660 ( -5.115 1.263 -2.181) 5.702 23.105 ( -1.783 4.441 9.280) 10.441 28.909 ( -1.475 2.371 -8.947) 9.373 29.063 ( 2.025 0.091 3.508) 4.052 29.139 ( -1.135 -1.902 -7.774) 8.083 29.873 ( -6.867 -3.300 -11.593) 13.872 30.361 ( -1.866 2.083 2.042) 3.463 30.582 ( -1.504 0.251 -4.927) 5.158 31.139 ( -0.573 -1.240 13.179) 13.249 31.835 ( 12.684 13.687 -3.035) 18.906 32.778 ( 3.473 1.021 5.306) 6.423 33.814 ( 15.946 -12.669 -22.585) 30.412 34.967 ( -14.280 2.817 11.948) 18.831 36.035 ( -3.444 4.983 8.894) 10.760 46.157 ( -0.867 -4.066 3.477) 5.420 46.456 ( 3.178 -1.983 -3.034) 4.821 90.750 ( 18.341 6.657 -7.560) 20.925 91.029 ( 15.068 5.209 6.268) 17.131 91.347 ( -5.961 -4.633 0.046) 7.550 91.902 ( 9.468 -9.356 1.135) 13.359 ======================= Grid point 211 (91/196) ======================= q-point: ( 0.40 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( 4.605 -6.536 -4.867) 9.361 3.009 ( -4.789 8.878 -5.932) 11.702 3.120 ( -3.606 -12.424 9.712) 16.177 3.639 ( 7.182 -1.131 -11.756) 13.822 3.913 ( 4.790 -2.575 -4.078) 6.797 4.106 ( 12.313 -4.754 -0.358) 13.204 4.640 ( 6.105 -0.909 -3.117) 6.914 5.125 ( 8.366 1.390 -1.151) 8.558 5.483 ( 5.120 -5.764 -2.549) 8.120 5.812 ( 2.705 -0.297 10.660) 11.002 6.246 ( -4.129 -6.429 14.490) 16.381 6.884 ( 10.746 3.121 -5.036) 12.271 6.916 ( -1.039 -5.156 -4.121) 6.682 7.451 ( 4.716 -3.755 -1.425) 6.195 7.950 ( -13.790 4.768 -1.209) 14.641 8.252 ( 0.682 -1.073 0.674) 1.439 9.189 ( 6.897 6.966 6.653) 11.848 9.486 ( 0.804 -3.747 -5.932) 7.062 10.015 ( -2.779 8.730 -8.034) 12.186 10.098 ( 2.007 -1.295 -7.302) 7.683 10.660 ( 3.554 3.177 7.739) 9.089 11.082 ( -6.844 -1.019 4.256) 8.123 11.367 ( -13.252 -0.455 -5.329) 14.290 11.745 ( 8.848 -1.204 8.262) 12.165 12.151 ( 0.972 1.718 2.858) 3.473 12.204 ( -1.669 0.291 0.618) 1.803 14.883 ( -1.475 -1.688 -2.320) 3.226 15.335 ( -4.487 -0.377 1.015) 4.616 17.545 ( 1.869 5.265 -3.273) 6.475 17.969 ( 0.680 -0.463 -0.825) 1.165 18.322 ( -0.571 -1.361 4.081) 4.340 18.343 ( 3.545 -0.532 1.541) 3.902 19.005 ( 11.074 -1.705 -1.868) 11.359 19.242 ( 4.738 0.341 0.813) 4.819 22.578 ( -1.890 0.558 -2.273) 3.009 23.072 ( -2.915 4.046 7.558) 9.055 28.810 ( 1.026 2.069 -8.346) 8.660 29.097 ( -1.682 -0.303 -0.981) 1.970 29.138 ( 5.501 -0.590 -2.548) 6.091 29.725 ( -11.699 -8.748 -10.112) 17.766 30.320 ( -1.957 1.543 0.872) 2.641 30.524 ( -0.280 0.358 -5.108) 5.128 31.245 ( -1.451 -2.216 13.417) 13.675 31.827 ( 10.087 12.271 -0.562) 15.894 32.845 ( 1.293 1.022 6.590) 6.793 33.933 ( 6.696 -4.439 -20.128) 21.672 34.930 ( -2.139 -4.043 7.125) 8.467 35.965 ( -4.544 5.514 7.809) 10.584 46.213 ( -1.746 -3.655 3.274) 5.209 46.496 ( 2.984 -0.169 -2.810) 4.103 90.853 ( 11.792 5.444 -4.654) 13.797 91.185 ( 5.537 1.703 5.171) 7.766 91.293 ( -4.201 -2.379 -3.260) 5.825 92.183 ( 8.903 -7.835 5.328) 13.001 ======================= Grid point 212 (92/196) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( -1.460 -2.346 -12.401) 12.705 2.687 ( -9.750 11.031 -7.538) 16.540 3.247 ( -6.654 -9.262 8.212) 14.054 3.684 ( 5.306 -0.009 -6.904) 8.707 3.876 ( -1.728 4.441 -2.396) 5.334 4.272 ( 2.439 1.488 -5.490) 6.189 4.701 ( 6.050 -2.691 3.450) 7.467 5.115 ( 4.476 7.202 -3.183) 9.057 5.640 ( 3.209 -2.069 -0.946) 3.934 5.951 ( 7.872 -0.233 4.938) 9.296 6.377 ( -5.144 -3.740 9.911) 11.776 6.792 ( -21.657 5.897 15.394) 27.217 6.869 ( 1.969 -1.330 -11.832) 12.068 7.383 ( -13.899 -4.452 -2.184) 14.757 7.934 ( 16.153 1.605 -5.184) 17.041 8.298 ( 1.961 -2.319 0.607) 3.098 9.223 ( 3.886 5.413 5.342) 8.540 9.529 ( -0.070 -4.175 -2.351) 4.792 9.827 ( -2.160 7.086 -4.818) 8.838 10.096 ( 2.843 -2.522 -9.202) 9.956 10.762 ( 8.175 1.979 2.038) 8.655 11.024 ( -8.673 -3.195 6.738) 11.438 11.184 ( -7.505 -0.568 -1.236) 7.627 11.878 ( 2.022 -0.990 1.639) 2.785 12.171 ( 1.715 0.194 -0.383) 1.768 12.263 ( 4.864 -0.657 7.471) 8.939 14.896 ( 3.883 -1.638 -4.346) 6.054 15.288 ( -3.792 -0.525 2.111) 4.371 17.495 ( 2.529 3.876 -2.929) 5.477 17.982 ( 0.817 -0.499 -0.804) 1.250 18.342 ( -0.474 0.652 2.638) 2.758 18.392 ( -0.978 -1.442 2.599) 3.129 19.123 ( 2.305 0.170 -1.860) 2.966 19.256 ( -1.440 -0.877 1.016) 1.968 22.557 ( 1.420 -0.074 -2.261) 2.671 23.055 ( -0.897 1.060 6.667) 6.810 28.771 ( 3.164 1.254 -5.169) 6.189 29.041 ( -3.938 -0.400 -4.146) 5.732 29.216 ( 6.129 -1.462 -5.146) 8.135 29.619 ( -10.565 -10.655 -5.141) 15.861 30.269 ( -3.207 1.167 -0.095) 3.414 30.500 ( 2.252 0.110 -4.438) 4.978 31.340 ( -3.029 -2.871 12.372) 13.057 31.818 ( 7.762 10.177 0.461) 12.807 32.883 ( -1.453 1.421 7.771) 8.033 33.870 ( 1.719 1.065 -17.673) 17.789 35.050 ( 3.111 -6.321 1.861) 7.287 35.898 ( -3.927 3.218 8.497) 9.899 46.240 ( -3.005 -2.407 3.255) 5.042 46.506 ( 2.597 2.004 -2.805) 4.316 90.895 ( 3.398 2.519 -2.471) 4.899 91.172 ( -5.608 -2.284 -2.373) 6.503 91.318 ( 3.472 -0.123 2.506) 4.284 92.422 ( 4.162 -8.349 4.548) 10.378 ======================= Grid point 213 (93/196) ======================= q-point: (-0.40 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( -14.660 8.210 -8.999) 19.061 2.471 ( -4.630 7.804 -1.333) 9.172 3.277 ( -9.927 -6.508 6.847) 13.704 3.639 ( -2.521 5.259 -4.351) 7.276 3.786 ( -2.407 2.404 1.120) 3.582 4.119 ( -5.529 8.102 -4.505) 10.794 4.816 ( 0.254 4.486 0.243) 4.500 5.129 ( 8.869 0.801 -1.812) 9.087 5.610 ( -1.807 1.945 -6.361) 6.893 5.991 ( -33.733 19.806 10.180) 40.420 6.080 ( 5.672 1.578 0.747) 5.934 6.701 ( -6.623 -6.647 9.160) 13.113 6.856 ( -0.680 -3.136 0.120) 3.211 7.255 ( -7.804 -7.036 -7.542) 12.934 8.084 ( 9.553 4.733 -0.705) 10.684 8.400 ( 4.756 -5.344 -1.001) 7.224 9.245 ( 1.542 4.603 3.470) 5.967 9.547 ( -2.216 -4.910 -0.273) 5.394 9.701 ( -2.708 4.486 -1.113) 5.356 10.123 ( 4.743 -4.822 -10.206) 12.244 10.802 ( -0.923 1.646 0.583) 1.975 11.001 ( -5.696 -2.742 2.120) 6.667 11.216 ( 8.069 -2.165 5.742) 10.137 11.899 ( -0.462 -1.261 -0.639) 1.488 12.215 ( 3.520 -1.534 -0.768) 3.916 12.392 ( 5.806 1.669 4.401) 7.474 14.982 ( 9.240 -1.889 -4.901) 10.629 15.268 ( -3.653 -1.769 3.412) 5.303 17.485 ( 4.036 2.373 -1.921) 5.060 17.986 ( 0.381 0.244 -1.382) 1.455 18.330 ( -1.432 1.422 1.697) 2.636 18.390 ( -4.010 -1.163 2.812) 5.034 18.996 ( -10.508 4.707 -1.948) 11.678 19.290 ( -2.938 -6.238 0.355) 6.905 22.580 ( 3.465 -0.061 -2.280) 4.148 23.141 ( 2.972 -4.355 7.657) 9.297 28.792 ( 3.865 -0.906 -4.015) 5.646 28.925 ( -8.047 -2.415 -7.302) 11.131 29.265 ( 1.207 -4.650 -7.801) 9.162 29.617 ( -1.795 -6.419 -0.448) 6.680 30.191 ( -4.278 2.020 0.030) 4.731 30.522 ( 4.151 -0.324 -3.645) 5.534 31.401 ( -5.407 -2.967 10.653) 12.309 31.809 ( 5.623 7.546 0.186) 9.412 32.870 ( -4.976 2.716 8.281) 10.036 33.718 ( 0.485 5.109 -17.277) 18.023 35.177 ( 3.775 -5.098 -1.439) 6.505 35.921 ( -1.580 -2.781 11.319) 11.762 46.231 ( -4.248 -0.809 3.511) 5.571 46.483 ( 2.349 3.904 -3.112) 5.517 90.829 ( -8.738 -1.388 -2.628) 9.230 91.132 ( 2.425 2.717 -0.568) 3.685 91.381 ( -2.460 -6.158 1.390) 6.776 92.584 ( -2.125 -12.015 -0.208) 12.204 ======================= Grid point 214 (94/196) ======================= q-point: (-0.30 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( -17.453 8.689 10.157) 21.983 2.231 ( -10.019 14.348 3.762) 17.900 3.216 ( -15.748 -5.510 5.632) 17.609 3.465 ( -7.118 5.636 1.163) 9.153 3.719 ( -4.590 4.626 3.870) 7.579 3.894 ( -6.938 8.132 -1.205) 10.757 4.538 ( -15.379 18.791 -4.350) 24.669 5.026 ( -24.823 17.799 0.943) 30.559 5.486 ( -4.154 -0.003 6.154) 7.425 5.513 ( 1.125 -2.044 -11.401) 11.638 6.165 ( 7.654 2.435 0.259) 8.036 6.733 ( 3.073 1.753 -0.725) 3.611 6.898 ( -4.986 -4.793 4.314) 8.151 7.214 ( -5.906 -9.213 -5.237) 12.132 8.117 ( 5.662 5.593 -1.020) 8.024 8.498 ( 1.378 -2.476 0.163) 2.838 9.156 ( -8.404 3.126 -1.637) 9.115 9.570 ( -7.569 -7.140 -3.694) 11.042 9.655 ( 5.633 4.840 8.560) 11.333 10.226 ( 5.360 -9.145 -8.348) 13.492 10.753 ( -5.581 -0.383 3.185) 6.437 10.974 ( -3.036 -2.438 1.133) 4.055 11.450 ( 11.687 -2.162 3.968) 12.531 11.912 ( 2.303 -0.886 -1.480) 2.877 12.298 ( 5.380 -1.479 -0.582) 5.610 12.448 ( 6.356 4.918 -2.024) 8.288 15.147 ( 12.584 -2.902 -4.355) 13.628 15.265 ( -3.962 -2.308 4.009) 6.090 17.531 ( 6.195 1.020 -0.272) 6.284 17.969 ( 0.574 1.429 -2.019) 2.539 18.291 ( -2.747 1.748 1.595) 3.626 18.343 ( -6.167 -0.625 2.080) 6.538 18.717 ( -15.761 4.386 -1.728) 16.451 19.294 ( -9.003 -8.932 -2.505) 12.927 22.626 ( 4.494 -0.064 -1.562) 4.758 23.367 ( 5.280 -11.612 8.548) 15.355 28.703 ( -14.512 -7.538 -16.447) 23.193 28.886 ( 3.451 -0.521 2.236) 4.145 29.258 ( -3.406 -4.717 -5.726) 8.163 29.688 ( 5.462 -0.736 -3.178) 6.362 30.109 ( -3.272 2.794 4.083) 5.932 30.570 ( 4.893 -0.252 -3.272) 5.892 31.400 ( -8.833 -2.162 8.846) 12.686 31.797 ( 3.599 4.578 -1.484) 6.009 32.778 ( -8.453 5.154 7.619) 12.492 33.506 ( 0.275 9.148 -16.865) 19.188 35.289 ( 5.280 -4.596 -1.628) 7.187 36.094 ( 0.790 -10.927 13.183) 17.141 46.188 ( -5.096 0.667 3.887) 6.443 46.437 ( 2.456 4.971 -3.670) 6.649 90.658 ( -12.925 -1.592 -2.676) 13.294 91.147 ( 4.007 4.067 1.807) 5.989 91.420 ( -7.901 -12.185 -1.422) 14.592 92.637 ( -11.260 -16.447 -10.722) 22.633 ======================= Grid point 215 (95/196) ======================= q-point: (-0.20 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( -18.544 6.971 27.543) 33.928 1.888 ( -14.852 18.000 15.045) 27.766 2.937 ( -36.864 -1.090 13.097) 39.137 3.369 ( -4.413 6.730 7.661) 11.111 3.516 ( -16.833 10.965 9.684) 22.302 3.722 ( -5.678 6.453 0.832) 8.635 3.924 ( -17.689 14.229 -6.706) 23.671 4.428 ( -14.014 18.955 -6.238) 24.384 5.487 ( 8.009 -2.123 -13.714) 16.022 5.652 ( 6.269 -7.030 1.446) 9.529 6.241 ( 5.493 1.411 -0.722) 5.717 6.746 ( 5.915 5.923 -1.849) 8.572 6.881 ( -3.762 -2.924 -1.837) 5.106 7.186 ( -7.179 -4.750 -3.229) 9.194 8.109 ( 4.254 4.674 -3.117) 7.047 8.542 ( 0.791 -1.067 3.618) 3.854 8.892 ( -17.628 2.818 -3.945) 18.282 9.541 ( -3.335 -5.166 1.611) 6.356 9.776 ( 6.349 3.188 8.676) 11.214 10.305 ( -5.668 -6.301 -3.347) 9.113 10.720 ( -3.128 -4.625 -1.299) 5.733 10.990 ( -2.185 -4.042 1.817) 4.941 11.626 ( 2.950 -3.552 3.191) 5.613 12.003 ( 11.101 -0.166 -1.982) 11.278 12.395 ( 5.563 -1.228 -0.979) 5.781 12.449 ( 9.716 7.335 -7.405) 14.249 15.219 ( -9.273 -3.866 4.434) 10.982 15.381 ( 16.739 -0.328 -5.041) 17.485 17.647 ( 9.060 -0.531 1.590) 9.214 17.944 ( 2.114 2.492 -2.824) 4.318 18.189 ( -11.165 2.409 2.549) 11.703 18.275 ( -3.680 0.185 1.575) 4.007 18.450 ( -11.406 0.974 -1.412) 11.534 19.169 ( -20.415 -10.272 -9.673) 24.817 22.695 ( 5.103 -0.310 0.142) 5.114 23.675 ( 0.493 -20.016 1.946) 20.116 28.409 ( -17.797 -3.702 -10.114) 20.802 28.964 ( 2.654 -1.356 1.862) 3.514 29.195 ( -4.090 0.636 -3.149) 5.201 29.726 ( 5.707 2.459 -5.176) 8.088 30.121 ( 1.555 0.961 9.077) 9.259 30.619 ( 4.458 0.323 -3.038) 5.404 31.315 ( -12.578 -0.592 7.324) 14.567 31.772 ( 1.349 2.080 -4.482) 5.121 32.615 ( -8.992 6.722 6.716) 13.082 33.257 ( 0.235 12.184 -14.200) 18.712 35.443 ( 7.503 -4.826 0.989) 8.976 36.395 ( 1.539 -19.253 8.764) 21.210 46.124 ( -5.122 1.529 4.102) 6.738 46.381 ( 2.563 5.028 -4.219) 7.046 90.468 ( -11.182 -0.690 -2.276) 11.432 91.161 ( 1.018 2.481 1.992) 3.340 91.423 ( -15.332 -18.522 -5.258) 24.613 92.415 ( -26.295 -10.320 -27.266) 39.260 ======================= Grid point 216 (96/196) ======================= q-point: (-0.10 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( -19.126 15.719 25.999) 35.900 1.672 ( -17.696 9.001 30.641) 36.511 2.433 ( -47.023 -4.322 31.796) 56.929 2.917 ( -27.279 21.480 21.750) 40.970 3.427 ( 1.118 3.728 -2.346) 4.544 3.508 ( -4.731 1.447 -3.282) 5.937 3.808 ( 3.741 -3.116 -5.862) 7.620 4.069 ( 2.621 15.551 -6.170) 16.934 5.588 ( 13.791 -3.184 -13.967) 19.885 5.868 ( 9.939 -7.833 -1.459) 12.738 6.280 ( 2.928 1.000 -1.399) 3.396 6.705 ( 5.394 8.301 -7.716) 12.551 6.865 ( -2.414 -4.057 -2.342) 5.270 7.051 ( -8.232 3.278 -4.362) 9.876 8.105 ( 4.654 1.759 -2.738) 5.679 8.476 ( -13.237 0.380 -3.576) 13.716 8.736 ( 4.846 1.668 14.094) 14.997 9.650 ( 0.841 -8.420 8.455) 11.962 9.861 ( 5.580 6.711 6.894) 11.122 10.160 ( -13.884 -0.809 -2.895) 14.206 10.735 ( -0.345 -3.680 -4.219) 5.608 11.000 ( -4.845 -3.311 -0.899) 5.937 11.712 ( 1.324 -2.428 4.457) 5.245 12.172 ( 7.374 -2.692 -0.023) 7.850 12.440 ( 1.272 -2.156 -4.990) 5.583 12.481 ( 9.927 4.801 -8.338) 13.824 15.130 ( -9.582 -0.178 5.576) 11.088 15.570 ( 12.578 0.398 -6.294) 14.070 17.832 ( 10.998 -2.205 0.708) 11.240 17.934 ( 2.653 2.070 -2.289) 4.070 17.996 ( -9.066 2.253 2.808) 9.755 18.244 ( -2.252 0.242 2.215) 3.168 18.333 ( -5.349 -1.863 -0.924) 5.739 18.712 ( -40.836 -3.389 -14.434) 43.444 22.787 ( 5.321 -0.365 2.432) 5.862 23.714 ( -23.861 -14.194 -14.715) 31.422 28.416 ( 22.905 -2.039 18.446) 29.480 29.020 ( 1.849 -0.517 1.329) 2.335 29.095 ( -2.113 4.162 -1.158) 4.809 29.741 ( 1.990 0.543 -2.647) 3.356 30.227 ( 3.649 0.062 8.511) 9.261 30.645 ( 2.819 0.835 -2.860) 4.102 31.162 ( -13.448 0.473 6.118) 14.782 31.719 ( 0.306 0.551 -7.546) 7.572 32.483 ( -4.553 4.154 6.905) 9.256 33.022 ( 0.451 10.887 -9.173) 14.243 35.636 ( 7.827 -3.390 4.936) 9.854 36.639 ( -8.053 -17.757 -5.773) 20.334 46.065 ( -4.113 1.305 4.170) 6.000 46.329 ( 2.152 3.655 -3.976) 5.814 90.331 ( -4.864 -0.171 -1.895) 5.223 91.030 ( -38.708 -12.599 -15.534) 43.570 91.280 ( -17.979 -7.561 -1.210) 19.542 91.812 ( -10.834 14.028 -14.377) 22.822 ======================= Grid point 218 (97/196) ======================= q-point: ( 0.10 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( 19.846 0.000 25.577) 32.373 2.242 ( -8.337 -0.000 29.068) 30.240 2.598 ( 47.653 0.000 5.907) 48.018 2.890 ( 12.054 0.000 12.160) 17.122 3.607 ( 9.620 0.000 -8.489) 12.830 3.619 ( 12.707 0.000 1.502) 12.796 4.147 ( 11.057 0.000 -10.113) 14.985 4.252 ( 4.556 0.000 4.206) 6.201 5.814 ( -2.933 -0.000 -2.164) 3.645 5.957 ( -5.082 -0.000 -10.811) 11.946 6.096 ( 14.718 0.000 -14.565) 20.707 6.529 ( 4.783 0.000 3.986) 6.226 6.619 ( -2.378 -0.000 -9.516) 9.809 6.966 ( 5.717 0.000 4.191) 7.088 8.310 ( 0.875 0.000 -7.016) 7.070 8.417 ( 0.789 0.000 4.588) 4.655 9.162 ( -10.117 -0.000 3.319) 10.648 9.775 ( -3.600 -0.000 -9.365) 10.033 9.861 ( 10.993 0.000 7.195) 13.138 10.532 ( 2.208 0.000 9.883) 10.127 10.652 ( -4.385 -0.000 -6.153) 7.556 11.039 ( 15.862 0.000 -8.275) 17.890 11.712 ( -16.982 -0.000 4.835) 17.657 11.804 ( -9.723 -0.000 0.574) 9.740 12.264 ( -2.776 -0.000 2.684) 3.861 12.328 ( -2.198 -0.000 -2.195) 3.106 14.972 ( -8.835 -0.000 5.869) 10.607 15.441 ( -5.500 -0.000 -2.585) 6.077 17.705 ( 9.075 0.000 -1.084) 9.140 17.887 ( 0.664 0.000 -2.417) 2.507 18.191 ( -2.334 -0.000 3.092) 3.874 18.257 ( 3.246 0.000 2.465) 4.076 18.625 ( 18.800 0.000 -8.646) 20.693 18.638 ( 18.365 0.000 5.280) 19.110 22.809 ( -8.574 -0.000 -1.370) 8.682 23.126 ( 1.350 0.000 11.081) 11.162 29.006 ( -0.122 -0.000 1.797) 1.801 29.047 ( 0.447 0.000 -0.446) 0.632 29.235 ( -8.601 -0.000 -15.989) 18.156 30.017 ( -2.618 -0.000 -14.508) 14.743 30.418 ( -1.879 -0.000 4.394) 4.779 30.642 ( 0.676 0.000 -5.942) 5.980 31.044 ( -1.409 -0.000 11.002) 11.092 32.061 ( 18.548 0.000 -14.198) 23.358 32.881 ( 23.358 0.000 -6.599) 24.272 33.032 ( 11.400 0.000 -7.444) 13.615 35.411 ( -31.370 -0.000 11.827) 33.525 36.059 ( -2.151 -0.000 13.447) 13.618 46.049 ( -0.365 -0.000 3.354) 3.373 46.360 ( 4.064 0.000 -2.670) 4.863 90.653 ( 28.381 0.000 -13.859) 31.584 90.830 ( 22.512 0.000 7.692) 23.790 91.285 ( 0.069 0.000 5.800) 5.800 91.554 ( -0.899 -0.000 -4.502) 4.591 ======================= Grid point 219 (98/196) ======================= q-point: ( 0.20 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( 2.310 2.886 13.450) 13.948 2.591 ( 15.532 -4.161 21.500) 26.848 3.142 ( 13.456 1.643 7.930) 15.706 3.481 ( 43.088 -11.557 0.846) 44.619 3.659 ( 8.662 0.087 -10.830) 13.868 3.777 ( 12.243 4.042 -1.985) 13.045 4.194 ( 8.281 0.366 -7.729) 11.333 4.510 ( 8.163 -17.213 3.824) 19.430 5.752 ( 3.890 9.015 -18.402) 20.857 5.799 ( -3.107 4.071 12.309) 13.332 6.154 ( -1.439 -2.117 0.248) 2.571 6.554 ( -4.430 -11.534 -14.715) 19.214 6.758 ( 23.016 3.010 1.135) 23.239 7.127 ( 7.693 -3.760 5.755) 10.317 8.255 ( -0.852 0.751 -6.798) 6.892 8.349 ( -15.368 0.952 8.816) 17.742 9.166 ( 7.934 1.411 3.601) 8.827 9.614 ( -3.673 3.565 -10.423) 11.612 10.013 ( 2.488 -2.764 0.638) 3.773 10.486 ( -3.752 7.685 -3.767) 9.345 10.627 ( -4.130 -2.694 9.214) 10.450 11.138 ( 4.929 1.535 -4.416) 6.794 11.583 ( -6.077 1.124 2.005) 6.497 11.614 ( -9.499 -0.691 -1.574) 9.653 12.227 ( -3.113 1.580 2.996) 4.600 12.280 ( -2.099 0.693 -1.158) 2.496 14.896 ( -5.744 -0.530 2.778) 6.403 15.373 ( -3.469 -0.380 1.004) 3.632 17.771 ( 5.239 6.749 -2.658) 8.948 17.924 ( 3.773 -3.741 -2.734) 5.975 18.177 ( -2.831 -0.641 4.730) 5.550 18.310 ( 2.942 0.123 0.776) 3.045 18.817 ( 15.349 0.875 -6.334) 16.628 18.968 ( 13.571 -4.530 5.318) 15.263 22.682 ( -6.229 0.448 -2.097) 6.588 23.189 ( -3.158 1.858 12.074) 12.617 28.973 ( -1.212 2.478 -9.362) 9.760 29.056 ( 0.444 -1.183 1.963) 2.335 29.084 ( 0.033 -1.456 -6.272) 6.439 29.795 ( -12.492 -1.961 -14.174) 18.994 30.400 ( -2.874 0.866 2.679) 4.023 30.590 ( -0.780 0.235 -6.447) 6.498 31.112 ( -1.858 -0.633 12.947) 13.095 32.138 ( 11.406 6.994 -9.602) 16.469 32.962 ( 14.648 14.125 -1.811) 20.430 33.409 ( 19.900 -18.416 -16.407) 31.691 35.074 ( -21.264 3.782 12.949) 25.182 36.091 ( -6.362 0.152 12.437) 13.970 46.083 ( 0.396 -1.566 2.877) 3.299 46.418 ( 5.037 -0.883 -2.305) 5.609 90.890 ( 18.628 3.380 -12.038) 22.436 91.164 ( 14.306 2.190 5.397) 15.446 91.303 ( -1.364 3.580 2.474) 4.560 91.655 ( 10.198 -9.041 3.269) 14.015 ======================= Grid point 220 (99/196) ======================= q-point: ( 0.30 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.405 ( 6.576 -0.368 4.065) 7.740 2.940 ( 10.012 -1.251 9.176) 13.638 3.277 ( 6.688 9.294 0.861) 11.483 3.652 ( 8.164 2.268 -12.814) 15.362 3.851 ( 17.261 1.373 -2.496) 17.495 4.076 ( 11.151 1.192 -1.616) 11.331 4.465 ( 20.524 -12.256 -0.541) 23.911 4.898 ( 12.570 -16.697 0.791) 20.915 5.545 ( 1.394 9.716 -11.946) 15.461 5.847 ( 2.069 3.076 13.546) 14.044 6.159 ( -4.423 -1.097 9.540) 10.572 6.549 ( -4.013 -16.742 -19.041) 25.670 7.057 ( 18.723 5.250 2.902) 19.660 7.351 ( 6.574 -4.036 6.512) 10.095 8.078 ( -15.096 4.398 1.866) 15.834 8.215 ( -4.921 -1.667 1.189) 5.331 9.346 ( 12.280 3.417 6.522) 14.318 9.441 ( -3.329 1.418 -11.386) 11.947 10.022 ( -2.989 -1.883 -4.368) 5.618 10.293 ( -0.796 9.603 -6.347) 11.538 10.650 ( -5.932 -3.740 8.969) 11.385 11.104 ( -2.977 2.547 -0.521) 3.952 11.346 ( -13.774 -1.297 -6.323) 15.211 11.714 ( 7.564 -0.999 6.576) 10.072 12.196 ( -0.513 1.682 3.842) 4.225 12.226 ( -2.511 1.036 -0.913) 2.865 14.859 ( -0.875 -0.387 -0.467) 1.065 15.343 ( -2.520 0.733 2.660) 3.737 17.704 ( 1.935 7.070 -3.471) 8.111 17.982 ( 3.323 0.829 -2.121) 4.028 18.213 ( -2.731 -4.653 6.239) 8.248 18.356 ( 2.558 -0.333 -0.250) 2.591 18.969 ( 9.749 -0.849 -3.958) 10.556 19.193 ( 4.545 -3.552 3.550) 6.773 22.586 ( -3.677 0.116 -2.208) 4.291 23.162 ( -6.621 2.790 9.707) 12.077 28.869 ( 1.620 2.448 -9.522) 9.964 29.056 ( -0.963 -2.389 -4.173) 4.904 29.140 ( 4.307 0.352 3.424) 5.513 29.527 ( -15.961 -6.039 -11.884) 20.795 30.356 ( -3.244 1.188 1.840) 3.914 30.533 ( 0.172 0.241 -6.421) 6.428 31.190 ( -2.854 -1.809 13.214) 13.639 32.123 ( 8.445 8.740 -6.788) 13.920 32.996 ( 10.397 11.113 2.937) 15.500 33.732 ( 14.108 -11.466 -18.789) 26.144 34.892 ( -9.956 0.948 10.665) 14.621 36.049 ( -8.703 1.145 9.818) 13.170 46.136 ( 0.490 -2.240 2.582) 3.453 46.490 ( 5.474 -0.249 -2.033) 5.845 90.980 ( 9.533 3.935 -6.524) 12.203 91.192 ( -8.307 -1.451 -0.978) 8.490 91.321 ( 8.341 4.661 0.969) 9.604 92.010 ( 13.437 -5.818 10.121) 17.800 ======================= Grid point 221 (100/196) ======================= q-point: ( 0.40 0.10 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.501 ( 5.897 1.625 -5.378) 8.145 3.002 ( -0.358 5.604 -8.038) 9.806 3.216 ( 9.582 12.679 3.590) 16.293 3.703 ( 8.123 1.955 -3.575) 9.087 4.008 ( 7.358 6.826 -3.385) 10.592 4.212 ( 10.457 -4.813 -0.678) 11.531 4.705 ( 4.327 0.147 -1.403) 4.552 5.278 ( 14.114 1.002 -6.605) 15.615 5.458 ( 4.734 -7.184 -2.320) 8.910 5.973 ( 4.952 1.762 13.126) 14.139 6.205 ( -4.373 -4.770 11.633) 13.312 6.574 ( -1.830 -15.781 -19.060) 24.813 7.098 ( -14.860 9.404 10.081) 20.270 7.375 ( -7.513 2.907 7.173) 10.787 7.971 ( 10.831 1.252 -5.878) 12.387 8.218 ( -1.619 -4.185 2.211) 5.002 9.305 ( -2.317 0.416 -5.567) 6.044 9.508 ( 6.497 3.342 3.498) 8.100 9.932 ( -4.827 -0.256 -5.281) 7.159 10.155 ( 4.080 7.565 -7.844) 11.636 10.711 ( -1.150 -6.202 5.942) 8.666 10.994 ( -7.923 1.588 1.608) 8.239 11.165 ( -7.486 -1.000 -1.756) 7.754 11.847 ( 1.969 -1.349 2.283) 3.303 12.174 ( -1.884 0.360 -0.874) 2.108 12.262 ( 6.312 0.325 6.242) 8.883 14.878 ( 4.811 0.021 -2.754) 5.543 15.311 ( -2.038 1.893 2.724) 3.893 17.621 ( 1.815 6.014 -3.300) 7.096 17.993 ( 2.531 1.658 -1.284) 3.287 18.274 ( -4.128 -4.900 6.630) 9.220 18.385 ( 1.028 -0.391 -0.950) 1.453 19.066 ( 2.492 -3.190 -2.288) 4.649 19.240 ( -4.825 -1.339 1.830) 5.331 22.544 ( -0.358 -0.789 -2.007) 2.186 23.089 ( -6.476 1.439 6.509) 9.294 28.813 ( 2.090 2.154 -6.298) 6.976 29.017 ( -4.626 -1.640 -5.722) 7.539 29.172 ( -2.026 -2.028 -5.689) 6.371 29.388 ( -4.897 -6.898 1.814) 8.651 30.303 ( -3.620 1.345 1.922) 4.314 30.504 ( 2.562 0.164 -6.074) 6.594 31.261 ( -4.196 -2.972 11.895) 12.958 32.078 ( 6.112 8.595 -5.086) 11.709 33.026 ( 6.411 9.857 6.665) 13.516 33.847 ( 7.608 -3.426 -18.249) 20.066 34.902 ( -1.164 -4.405 6.381) 7.841 35.959 ( -9.245 1.218 7.703) 12.095 46.185 ( -0.085 -1.833 2.577) 3.163 46.550 ( 5.291 1.410 -1.998) 5.828 90.961 ( -2.900 2.337 -4.329) 5.711 91.111 ( -3.650 -2.088 1.404) 4.433 91.350 ( 1.964 2.302 -1.842) 3.543 92.293 ( 7.402 -2.419 9.183) 12.041 ======================= Grid point 222 (101/196) ======================= q-point: (-0.50 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( -1.534 7.129 -12.615) 14.571 2.838 ( 6.660 17.172 -2.784) 18.628 3.258 ( 5.546 6.306 4.086) 9.339 3.760 ( 6.024 2.911 -2.319) 7.081 3.898 ( -4.234 8.782 -1.340) 9.841 4.321 ( 3.427 5.619 -4.790) 8.140 4.797 ( 7.829 -4.034 2.713) 9.216 5.242 ( 4.602 8.584 -6.586) 11.757 5.629 ( 1.524 -3.117 -3.995) 5.291 6.121 ( 6.114 2.083 7.757) 10.094 6.304 ( -6.035 -4.482 8.090) 11.043 6.496 ( -30.805 1.528 12.448) 33.260 6.715 ( -7.632 -8.375 -9.496) 14.784 7.280 ( -1.548 7.918 0.689) 8.097 8.153 ( 13.871 -2.002 -3.053) 14.344 8.262 ( -0.918 -2.536 0.746) 2.798 9.294 ( 0.825 -4.672 -2.307) 5.275 9.487 ( -3.910 5.393 1.377) 6.802 9.836 ( -2.894 1.943 -1.570) 3.823 10.096 ( 6.003 4.232 -9.567) 12.061 10.821 ( 1.960 -3.904 -3.384) 5.526 10.882 ( -11.464 -2.756 8.786) 14.704 11.147 ( 2.563 -2.516 3.875) 5.284 11.861 ( -2.052 -1.488 -0.059) 2.535 12.160 ( -0.094 -1.846 -0.910) 2.060 12.421 ( 8.749 0.225 3.656) 9.485 14.964 ( 10.202 0.602 -3.792) 10.901 15.283 ( -0.601 2.207 2.615) 3.474 17.569 ( 3.077 4.286 -2.540) 5.856 17.999 ( 1.974 1.331 -1.434) 2.779 18.303 ( -5.541 -3.663 6.172) 9.067 18.379 ( -1.285 -0.035 -0.863) 1.548 19.066 ( -7.123 -0.993 -2.363) 7.570 19.136 ( -11.366 -3.937 1.478) 12.119 22.562 ( 2.456 -1.347 -1.959) 3.418 23.055 ( -3.738 -2.275 5.076) 6.702 28.747 ( -5.982 -2.391 -10.725) 12.512 28.887 ( -5.620 -0.363 -1.487) 5.825 29.148 ( -1.128 -4.376 -4.347) 6.270 29.498 ( 4.333 -3.278 5.530) 7.753 30.241 ( -3.959 1.900 2.587) 5.097 30.518 ( 5.068 0.031 -5.457) 7.447 31.308 ( -5.890 -3.833 9.618) 11.912 32.014 ( 3.574 7.458 -4.308) 9.325 33.028 ( 2.398 9.641 9.085) 13.463 33.814 ( 5.739 2.224 -18.099) 19.117 35.018 ( 1.663 -6.736 2.584) 7.403 35.876 ( -8.355 -1.082 7.540) 11.307 46.213 ( -1.048 -0.589 2.914) 3.152 46.579 ( 4.670 3.449 -2.312) 6.249 90.809 ( -10.609 -0.303 -3.051) 11.044 91.122 ( -3.677 -3.698 3.072) 6.053 91.308 ( -1.503 1.461 -2.655) 3.383 92.430 ( 1.078 -1.433 4.671) 5.003 ======================= Grid point 223 (102/196) ======================= q-point: (-0.40 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( -5.848 13.198 -0.614) 14.448 2.712 ( 9.912 21.165 -2.018) 23.458 3.231 ( -1.687 8.428 2.900) 9.071 3.666 ( -7.845 9.392 2.973) 12.593 3.793 ( 2.299 2.055 -1.719) 3.531 4.172 ( -2.610 12.345 -1.446) 12.700 4.938 ( 4.172 8.854 -0.845) 9.824 5.188 ( 4.511 -1.962 -6.392) 8.066 5.515 ( -13.001 3.963 -5.013) 14.486 5.700 ( -34.385 14.799 6.761) 38.040 6.282 ( 6.299 5.009 9.460) 12.420 6.508 ( -7.225 -13.406 10.303) 18.387 6.800 ( 5.561 -10.560 -9.886) 15.497 7.151 ( -1.198 7.209 -1.830) 7.534 8.248 ( 1.662 3.126 -0.493) 3.575 8.359 ( 6.030 -6.068 -0.879) 8.600 9.297 ( -13.031 3.717 -1.195) 13.604 9.375 ( 2.067 -4.231 -0.806) 4.778 9.793 ( 1.399 3.090 3.760) 5.064 10.086 ( 6.537 -0.255 -11.565) 13.287 10.761 ( -8.941 0.660 5.016) 10.273 10.879 ( -4.405 -5.615 1.132) 7.226 11.335 ( 7.716 -5.866 4.790) 10.811 11.853 ( -1.462 -2.655 -0.430) 3.061 12.204 ( 1.351 -4.171 -0.847) 4.466 12.549 ( 9.225 1.492 -2.750) 9.741 15.105 ( 12.566 0.816 -3.184) 12.988 15.284 ( 2.733 2.454 2.217) 4.290 17.573 ( 5.189 2.332 -1.386) 5.855 17.996 ( 1.625 1.350 -2.029) 2.930 18.290 ( -7.072 -2.836 4.783) 8.996 18.337 ( -3.017 0.687 -0.204) 3.101 18.825 ( -16.845 3.616 -1.923) 17.335 19.054 ( -14.952 -9.505 0.115) 17.718 22.612 ( 3.825 -1.127 -1.794) 4.373 23.116 ( -1.809 -7.678 5.183) 9.438 28.542 ( -14.454 -4.768 -9.957) 18.188 28.876 ( 1.173 -0.145 1.983) 2.308 29.166 ( 0.012 -3.154 -2.168) 3.827 29.645 ( 5.640 -2.283 2.849) 6.718 30.180 ( -3.394 2.681 4.507) 6.247 30.569 ( 6.634 0.147 -4.909) 8.254 31.316 ( -8.107 -4.013 7.176) 11.547 31.934 ( 1.137 5.512 -4.583) 7.258 32.977 ( -1.808 10.386 9.948) 14.495 33.714 ( 6.779 6.730 -19.089) 21.345 35.144 ( 2.347 -6.672 0.641) 7.102 35.867 ( -7.186 -6.549 9.156) 13.355 46.210 ( -2.060 1.039 3.497) 4.189 46.569 ( 3.969 5.167 -3.003) 7.174 90.624 ( -12.040 -1.002 -2.479) 12.333 91.093 ( -16.061 -10.690 1.477) 19.350 91.264 ( 3.143 4.238 -0.283) 5.283 92.437 ( -4.038 -1.473 -1.492) 4.550 ======================= Grid point 224 (103/196) ======================= q-point: (-0.30 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( -8.407 14.890 17.051) 24.148 2.530 ( 7.450 29.431 2.233) 30.441 2.998 ( -19.920 7.849 5.591) 22.129 3.514 ( -0.851 7.111 4.570) 8.495 3.770 ( 0.560 5.912 1.365) 6.093 3.944 ( -5.484 12.720 1.532) 13.936 4.550 ( -24.050 28.558 2.161) 37.398 4.908 ( -15.307 17.655 -3.005) 23.559 5.387 ( 3.259 -12.298 -3.505) 13.196 5.452 ( 0.912 0.022 -9.702) 9.744 6.363 ( 4.964 6.071 8.110) 11.281 6.624 ( -5.383 -10.808 5.079) 13.099 6.948 ( 6.286 -3.084 -1.588) 7.179 7.054 ( 0.348 2.009 -5.733) 6.085 8.214 ( 0.215 2.081 -3.763) 4.306 8.485 ( 3.694 -2.122 2.000) 4.706 9.001 ( -17.013 4.621 -0.392) 17.634 9.433 ( 0.410 -2.947 0.015) 2.975 9.859 ( 5.682 2.276 6.798) 9.148 10.127 ( 5.058 -5.243 -12.468) 14.440 10.645 ( -11.853 -1.570 6.123) 13.434 10.895 ( -2.271 -4.166 -0.104) 4.746 11.521 ( 2.399 -5.201 3.977) 6.973 11.906 ( 2.748 -5.259 -0.470) 5.952 12.279 ( 1.071 -5.384 -1.474) 5.684 12.618 ( 9.468 2.751 -9.972) 14.024 15.210 ( 3.270 3.482 3.151) 5.722 15.380 ( 14.108 0.555 -3.418) 14.526 17.649 ( 8.045 0.507 0.046) 8.061 17.987 ( 1.585 1.339 -2.420) 3.188 18.219 ( -10.772 -1.573 2.766) 11.232 18.282 ( -2.802 1.100 1.325) 3.289 18.503 ( -16.266 2.963 -2.032) 16.658 18.897 ( -22.779 -10.248 -1.588) 25.028 22.679 ( 4.530 -1.018 -0.584) 4.680 23.243 ( -4.770 -13.008 4.118) 14.454 28.342 ( -10.049 -1.621 -1.036) 10.232 28.925 ( 1.630 -1.518 1.992) 2.988 29.186 ( 0.126 -1.296 -1.252) 1.807 29.741 ( 3.030 -1.147 -1.636) 3.629 30.162 ( -0.273 2.190 8.231) 8.521 30.632 ( 6.762 0.692 -4.429) 8.113 31.266 ( -10.737 -3.074 5.321) 12.371 31.843 ( -0.654 3.229 -5.972) 6.821 32.853 ( -5.337 11.600 9.367) 15.836 33.572 ( 8.849 11.341 -20.078) 24.699 35.285 ( 4.319 -7.220 1.495) 8.545 35.956 ( -8.036 -13.773 9.947) 18.794 46.178 ( -2.789 2.547 4.068) 5.551 46.526 ( 3.397 6.043 -4.008) 8.008 90.448 ( -10.231 -0.776 -2.142) 10.481 90.932 ( -26.125 -14.470 -2.202) 29.946 91.279 ( 3.717 4.382 3.376) 6.665 92.319 ( -7.735 0.711 -8.527) 11.535 ======================= Grid point 225 (104/196) ======================= q-point: (-0.20 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( -8.188 12.931 28.141) 32.034 2.226 ( -1.896 32.877 14.107) 35.825 2.551 ( -28.295 12.694 12.344) 33.379 3.487 ( -4.789 10.355 10.412) 15.446 3.563 ( -8.819 14.189 5.870) 17.708 3.795 ( -8.721 19.949 0.519) 21.778 3.855 ( -4.612 9.601 -2.517) 10.945 4.537 ( 1.448 19.831 -7.996) 21.431 5.479 ( 8.479 -4.360 -10.836) 14.433 5.576 ( 4.740 -12.946 -5.683) 14.912 6.390 ( 1.797 5.526 5.211) 7.805 6.692 ( -5.470 -7.503 3.485) 9.918 6.954 ( 4.557 8.515 -5.321) 11.026 7.066 ( 1.439 -2.996 -4.795) 5.834 8.157 ( 0.453 1.492 -4.584) 4.842 8.492 ( -7.882 0.857 -2.537) 8.324 8.810 ( 1.294 3.716 11.303) 11.969 9.490 ( -0.361 -3.693 5.375) 6.531 9.970 ( 6.593 1.613 4.012) 7.884 10.117 ( -3.669 -2.176 -9.506) 10.420 10.587 ( -4.575 -6.430 0.996) 7.954 10.907 ( -2.753 -3.604 -0.739) 4.595 11.619 ( -0.553 -4.524 5.158) 6.883 12.040 ( 3.905 -6.965 -0.263) 7.989 12.337 ( -0.088 -5.243 -3.650) 6.389 12.597 ( 2.892 2.459 -14.036) 14.540 15.196 ( -0.308 6.100 5.624) 8.302 15.571 ( 13.677 -0.340 -6.064) 14.965 17.800 ( 10.679 -0.659 0.923) 10.739 17.944 ( -8.683 -0.881 0.625) 8.750 18.078 ( -2.475 2.870 -0.735) 3.860 18.233 ( -7.295 -1.008 2.348) 7.730 18.300 ( -6.079 0.269 -1.189) 6.200 18.599 ( -25.634 -4.758 -3.702) 26.333 22.768 ( 4.952 -1.192 1.632) 5.349 23.305 ( -13.878 -14.039 -0.017) 19.740 28.374 ( 10.473 -0.927 14.083) 17.575 28.988 ( 2.163 -1.746 2.034) 3.445 29.176 ( 0.152 1.130 -1.779) 2.113 29.745 ( -0.913 -0.620 -3.453) 3.625 30.232 ( 2.348 0.505 9.403) 9.705 30.679 ( 5.218 1.619 -3.944) 6.739 31.155 ( -12.048 -1.265 4.750) 13.012 31.746 ( -1.455 1.486 -7.940) 8.208 32.682 ( -5.689 10.949 8.101) 14.761 33.403 ( 11.227 15.787 -19.725) 27.647 35.481 ( 5.031 -8.263 4.856) 10.825 36.091 ( -12.306 -19.885 7.018) 24.415 46.127 ( -2.898 3.385 4.375) 6.245 46.462 ( 2.730 6.057 -4.964) 8.293 90.324 ( -4.651 -0.377 -1.812) 5.005 90.636 ( -32.774 -11.978 -3.460) 35.065 91.298 ( 1.530 4.205 5.167) 6.835 92.071 ( -6.992 7.110 -12.631) 16.093 ======================= Grid point 226 (105/196) ======================= q-point: (-0.10 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( -7.890 21.045 24.247) 33.061 1.877 ( -11.476 20.676 28.320) 36.895 2.242 ( -0.182 14.421 20.551) 25.107 3.033 ( -21.518 24.484 23.395) 40.122 3.436 ( -1.822 6.523 -9.578) 11.730 3.563 ( 4.900 6.083 3.731) 8.656 3.889 ( 10.243 2.764 -4.023) 11.346 4.328 ( 7.877 17.765 -3.762) 19.794 5.638 ( 13.997 -6.883 -12.907) 20.246 5.765 ( 4.680 -13.560 -10.361) 17.696 6.339 ( -4.588 3.311 0.247) 5.663 6.683 ( -7.214 -2.399 0.014) 7.603 6.857 ( 4.288 7.050 -8.589) 11.911 6.997 ( -3.263 6.217 -4.116) 8.139 8.175 ( 6.610 -0.262 -0.932) 6.681 8.355 ( -2.290 0.103 -3.570) 4.243 9.058 ( 15.785 -1.122 18.571) 24.399 9.554 ( -9.602 -5.063 9.095) 14.162 9.956 ( -5.161 -1.269 -7.348) 9.069 10.127 ( 15.192 3.493 0.136) 15.588 10.660 ( 2.859 -6.606 -3.250) 7.898 10.875 ( -4.574 -1.908 -3.040) 5.815 11.715 ( -1.778 -5.998 7.419) 9.705 12.165 ( 0.384 -6.353 -0.166) 6.367 12.337 ( -4.395 -3.160 -7.814) 9.506 12.439 ( -7.399 1.231 -5.234) 9.146 15.143 ( -2.721 5.454 6.399) 8.837 15.653 ( 3.513 1.076 -7.274) 8.149 17.770 ( -16.726 -3.591 3.941) 17.555 17.949 ( -0.542 1.736 1.656) 2.460 18.058 ( 1.287 2.649 -1.858) 3.482 18.155 ( 7.328 -0.994 -2.762) 7.894 18.240 ( -2.059 0.425 2.256) 3.083 18.374 ( 0.220 2.707 -1.885) 3.306 22.880 ( 4.839 -1.274 4.406) 6.667 23.172 ( -18.638 -6.710 -1.690) 19.881 28.849 ( 15.569 -8.153 8.959) 19.726 29.058 ( 0.561 -0.532 0.443) 0.891 29.272 ( 27.416 -3.405 4.087) 27.927 29.676 ( -6.100 -1.149 -5.736) 8.452 30.328 ( 1.510 -0.172 8.018) 8.160 30.681 ( 1.972 2.339 -3.614) 4.734 31.038 ( -8.661 0.019 5.935) 10.500 31.669 ( 1.803 -1.075 -9.058) 9.298 32.562 ( -1.732 6.393 6.773) 9.473 33.227 ( 13.190 18.928 -17.202) 28.778 35.690 ( -0.485 -9.650 9.335) 13.435 36.128 ( -19.393 -15.736 2.187) 25.070 46.076 ( -2.305 3.096 4.315) 5.789 46.389 ( 2.123 5.133 -4.701) 7.277 90.289 ( -14.846 -1.876 0.426) 14.970 90.319 ( 2.850 -0.430 -0.785) 2.987 91.291 ( -0.718 4.139 6.023) 7.343 91.807 ( -1.723 9.265 -10.070) 13.792 ======================= Grid point 229 (106/196) ======================= q-point: ( 0.20 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( 3.044 0.000 10.449) 10.883 2.966 ( 14.561 0.000 6.009) 15.752 3.378 ( 12.821 0.000 3.968) 13.421 3.718 ( 10.932 0.000 -5.118) 12.071 3.923 ( 11.942 0.000 -8.599) 14.716 4.115 ( 38.391 0.000 1.637) 38.426 4.333 ( 13.598 0.000 -7.978) 15.765 4.505 ( 6.008 0.000 7.067) 9.276 5.772 ( 8.578 0.000 -19.564) 21.362 5.903 ( -0.895 -0.000 15.112) 15.138 6.144 ( -0.680 -0.000 4.309) 4.363 6.240 ( -10.290 -0.000 -15.148) 18.313 7.141 ( 19.868 0.000 2.724) 20.054 7.279 ( 9.204 0.000 8.149) 12.293 8.152 ( -20.151 -0.000 11.781) 23.342 8.176 ( -3.722 -0.000 -6.550) 7.534 9.365 ( 12.160 0.000 -0.209) 12.162 9.498 ( -2.735 -0.000 -8.273) 8.713 9.992 ( -2.593 -0.000 -1.703) 3.102 10.480 ( -0.033 -0.000 -7.638) 7.638 10.533 ( -12.718 -0.000 12.185) 17.613 11.153 ( -0.311 -0.000 -3.582) 3.595 11.318 ( -13.872 -0.000 -7.675) 15.854 11.701 ( 6.691 0.000 5.495) 8.658 12.222 ( -1.788 -0.000 4.417) 4.765 12.240 ( -2.499 -0.000 -1.436) 2.882 14.855 ( -0.763 -0.000 0.380) 0.852 15.355 ( -1.711 -0.000 3.812) 4.179 17.848 ( -0.050 -0.000 -3.471) 3.472 17.953 ( 7.088 0.000 -1.903) 7.339 18.158 ( -3.947 -0.000 5.735) 6.962 18.340 ( 1.380 0.000 -0.667) 1.533 18.963 ( 8.955 0.000 -5.954) 10.754 19.129 ( 5.405 0.000 6.270) 8.278 22.587 ( -4.471 -0.000 -2.176) 4.973 23.200 ( -8.215 -0.000 10.797) 13.567 28.912 ( 2.843 0.000 -11.724) 12.063 29.012 ( -1.836 -0.000 -2.154) 2.831 29.145 ( 4.714 0.000 4.920) 6.814 29.446 ( -17.482 -0.000 -12.977) 21.772 30.373 ( -3.623 -0.000 2.178) 4.227 30.536 ( 0.391 0.000 -7.106) 7.116 31.165 ( -3.314 -0.000 13.199) 13.609 32.230 ( 5.427 0.000 -8.124) 9.770 33.317 ( 15.270 0.000 -9.872) 18.183 33.418 ( 17.309 0.000 -8.919) 19.472 34.921 ( -13.640 -0.000 11.289) 17.706 36.054 ( -10.203 -0.000 11.567) 15.424 46.106 ( 1.385 0.000 2.286) 2.673 46.486 ( 6.450 0.000 -1.677) 6.664 91.034 ( 6.964 0.000 -4.464) 8.272 91.166 ( -6.064 -0.000 -3.832) 7.173 91.410 ( 5.047 0.000 -4.576) 6.813 91.921 ( 17.730 0.000 17.033) 24.586 ======================= Grid point 230 (107/196) ======================= q-point: ( 0.30 0.20 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( 8.937 1.179 4.192) 9.941 3.044 ( 4.329 0.524 -12.621) 13.353 3.566 ( 10.552 6.669 4.047) 13.123 3.853 ( 13.898 10.505 1.920) 17.527 4.058 ( 11.201 -4.666 0.384) 12.140 4.339 ( 14.730 17.221 -5.060) 23.219 4.593 ( 11.231 -6.486 1.613) 13.069 4.898 ( 19.576 -21.395 -2.927) 29.147 5.654 ( 5.834 13.944 -14.856) 21.194 5.988 ( -0.234 -0.251 10.304) 10.309 6.130 ( -1.796 -16.853 -17.297) 24.216 6.188 ( -0.984 0.855 9.808) 9.894 7.247 ( -16.833 2.615 13.199) 21.550 7.467 ( 6.893 2.907 8.764) 11.523 8.006 ( 0.749 1.863 -1.276) 2.379 8.097 ( -4.453 -4.613 0.611) 6.441 9.308 ( -3.278 0.202 -13.675) 14.063 9.601 ( 8.589 2.511 6.826) 11.255 9.909 ( -5.394 -0.728 -5.100) 7.459 10.355 ( -1.376 7.027 -1.304) 7.278 10.530 ( -3.338 -6.858 2.711) 8.094 11.058 ( -6.417 2.821 -3.295) 7.746 11.125 ( -7.225 -2.197 -3.419) 8.289 11.820 ( 2.590 -0.618 2.677) 3.776 12.187 ( -2.728 0.391 -1.457) 3.117 12.272 ( 4.712 0.300 5.444) 7.206 14.884 ( 5.312 0.201 -1.150) 5.439 15.357 ( -1.227 1.217 4.158) 4.503 17.782 ( 0.581 5.646 -2.896) 6.372 18.035 ( 4.261 -0.332 -2.119) 4.771 18.154 ( -4.660 -2.403 7.343) 9.023 18.353 ( 0.089 -1.597 -1.516) 2.204 19.001 ( -0.117 -1.492 -3.823) 4.106 19.196 ( -3.237 -1.413 3.775) 5.170 22.526 ( -1.816 -0.461 -1.853) 2.636 23.118 ( -9.713 0.688 6.812) 11.884 28.878 ( 1.730 2.749 -6.733) 7.476 28.960 ( -3.957 -2.659 -6.913) 8.397 29.121 ( -13.126 -1.466 -6.173) 14.579 29.283 ( 5.007 -1.680 6.378) 8.281 30.330 ( -3.792 0.619 2.488) 4.577 30.507 ( 2.957 0.088 -7.030) 7.627 31.205 ( -4.643 -1.193 11.743) 12.684 32.215 ( 2.821 2.410 -7.444) 8.317 33.343 ( 12.703 13.459 -3.017) 18.751 33.677 ( 11.528 -9.754 -12.155) 19.385 34.847 ( -5.952 -0.429 8.621) 10.485 35.963 ( -11.914 -0.404 8.897) 14.876 46.152 ( 1.787 -0.683 2.116) 2.852 46.575 ( 6.908 0.498 -1.418) 7.069 91.002 ( -8.968 0.849 -4.520) 10.078 91.074 ( -2.177 -0.774 2.711) 3.562 91.408 ( 2.937 1.615 -7.660) 8.361 92.266 ( 10.086 -0.225 15.789) 18.737 ======================= Grid point 231 (108/196) ======================= q-point: ( 0.40 0.20 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.607 ( 6.793 8.440 -6.941) 12.867 3.055 ( 8.852 -0.356 -5.972) 10.684 3.567 ( 5.270 12.371 1.025) 13.486 3.917 ( 10.786 10.325 1.597) 15.017 4.236 ( 5.235 17.266 -2.708) 18.245 4.326 ( 13.728 -2.452 0.799) 13.968 4.736 ( 2.563 -1.457 -1.121) 3.154 5.371 ( 11.102 -16.442 -4.426) 20.327 5.496 ( 7.323 10.375 -9.483) 15.849 6.076 ( -2.273 -9.168 3.371) 10.029 6.222 ( 0.497 3.523 10.966) 11.529 6.269 ( 6.538 -11.993 -12.815) 18.730 6.792 ( -44.287 6.440 18.461) 48.411 7.513 ( 1.823 8.606 4.071) 9.693 8.026 ( 2.424 -4.912 -3.226) 6.357 8.231 ( 9.139 -2.351 2.192) 9.688 9.181 ( -3.156 -2.716 -9.898) 10.738 9.651 ( -0.963 5.667 3.975) 6.989 9.807 ( -4.728 -2.274 -4.653) 7.012 10.270 ( 2.777 6.651 -2.281) 7.560 10.619 ( 0.045 -7.256 0.734) 7.293 10.912 ( -6.829 2.261 -0.230) 7.197 11.080 ( -1.144 -3.124 1.530) 3.662 11.829 ( -3.058 -0.949 0.595) 3.256 12.136 ( -2.143 -0.194 -1.213) 2.470 12.413 ( 8.601 -0.538 2.012) 8.849 14.995 ( 11.957 1.349 -1.543) 12.131 15.350 ( 0.178 2.522 3.115) 4.012 17.703 ( 1.531 6.001 -1.964) 6.497 18.057 ( 2.993 2.507 -1.747) 4.277 18.181 ( -6.173 -5.056 7.675) 11.072 18.355 ( -1.066 -1.820 -2.289) 3.113 18.946 ( -9.480 -4.961 -2.201) 10.924 19.116 ( -11.394 -0.281 1.607) 11.510 22.522 ( 1.174 -1.476 -1.497) 2.408 23.021 ( -7.428 -0.619 3.478) 8.225 28.694 ( -13.389 -1.490 -10.269) 16.939 28.900 ( -0.629 1.276 -0.604) 1.545 29.046 ( -0.967 -3.626 -2.178) 4.339 29.438 ( 5.794 -1.513 7.129) 9.310 30.283 ( -3.728 1.235 3.503) 5.262 30.522 ( 5.895 0.201 -6.683) 8.914 31.225 ( -5.980 -2.439 9.009) 11.085 32.151 ( 0.602 3.230 -7.215) 7.928 33.331 ( 7.688 13.154 3.546) 15.643 33.808 ( 8.802 -3.240 -14.832) 17.549 34.878 ( -0.927 -3.676 5.884) 6.999 35.849 ( -11.829 -1.158 6.662) 13.625 46.201 ( 1.541 -0.293 2.429) 2.892 46.650 ( 6.382 1.999 -1.597) 6.876 90.806 ( -11.752 -0.005 -3.729) 12.330 91.038 ( -9.988 -2.200 5.346) 11.540 91.369 ( 3.323 2.328 -6.840) 7.953 92.445 ( 2.613 1.610 10.119) 10.574 ======================= Grid point 232 (109/196) ======================= q-point: (-0.50 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.490 ( 3.986 12.831 -5.533) 14.530 3.148 ( 12.123 11.138 -1.426) 16.524 3.504 ( 4.264 6.350 -0.156) 7.651 3.931 ( 3.052 7.980 2.827) 8.999 3.995 ( 1.789 22.444 -3.101) 22.728 4.462 ( 6.550 8.870 -1.709) 11.158 4.816 ( 3.905 -9.132 -0.417) 9.941 5.383 ( 3.185 9.666 -6.440) 12.043 5.556 ( -1.813 -1.533 -5.921) 6.379 6.040 ( -35.933 8.782 9.919) 38.297 6.178 ( -5.558 -10.445 5.352) 12.986 6.351 ( 0.858 -3.008 8.496) 9.053 6.502 ( 7.201 -6.963 -3.958) 10.770 7.400 ( -1.544 10.003 0.825) 10.155 8.130 ( 1.764 -6.664 -1.885) 7.147 8.375 ( 8.499 2.123 1.905) 8.965 9.137 ( -4.757 -7.292 -7.270) 11.343 9.535 ( -4.483 7.380 2.903) 9.111 9.758 ( -3.355 -3.493 -1.827) 5.176 10.217 ( 5.574 7.412 -5.710) 10.891 10.684 ( -7.589 -7.582 4.966) 11.821 10.788 ( -6.089 0.513 -0.823) 6.165 11.201 ( 6.503 -4.360 3.881) 8.738 11.793 ( -3.817 -1.994 0.309) 4.317 12.120 ( -0.735 -2.169 -0.906) 2.463 12.542 ( 7.940 -1.273 -4.369) 9.152 15.171 ( 16.565 3.524 -1.749) 17.026 15.359 ( 3.572 3.061 2.333) 5.250 17.658 ( 3.100 4.479 -0.966) 5.532 18.048 ( 1.832 2.554 -1.392) 3.438 18.192 ( -7.743 -4.510 6.481) 11.059 18.330 ( -2.345 -1.240 -2.770) 3.836 18.821 ( -16.660 -8.281 -0.566) 18.613 18.894 ( -17.447 1.493 -0.076) 17.511 22.569 ( 3.125 -2.081 -1.360) 3.993 22.977 ( -4.426 -3.484 2.216) 6.053 28.458 ( -12.487 -2.021 -5.182) 13.670 28.884 ( -0.077 0.857 1.253) 1.520 29.084 ( 1.109 -3.404 -1.374) 3.835 29.587 ( 4.479 -2.011 5.538) 7.401 30.241 ( -3.092 2.029 5.088) 6.290 30.577 ( 8.064 0.424 -6.319) 10.253 31.217 ( -7.349 -3.422 5.912) 10.034 32.048 ( -1.682 3.211 -7.242) 8.099 33.283 ( 2.561 13.052 7.412) 15.227 33.831 ( 9.562 2.161 -16.993) 19.618 34.976 ( 0.529 -5.842 3.988) 7.093 35.750 ( -10.766 -3.132 6.132) 12.780 46.236 ( 0.826 0.954 3.136) 3.380 46.686 ( 5.169 3.841 -2.228) 6.814 90.606 ( -11.854 -0.516 -2.933) 12.222 90.901 ( -17.785 -4.571 3.103) 18.623 91.365 ( 5.064 3.360 -2.034) 6.409 92.468 ( -2.012 2.707 3.545) 4.893 ======================= Grid point 233 (110/196) ======================= q-point: (-0.40 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( 0.343 16.592 6.567) 17.848 3.100 ( 9.919 16.190 -4.618) 19.540 3.481 ( 3.517 20.817 1.494) 21.165 3.654 ( -10.511 7.727 7.296) 14.947 3.939 ( 8.421 9.440 -1.406) 12.728 4.316 ( -1.356 16.000 -0.572) 16.067 5.028 ( 4.639 -10.340 -1.330) 11.410 5.179 ( -16.928 12.076 0.180) 20.795 5.272 ( -11.888 10.403 -2.889) 16.059 5.570 ( -8.063 11.018 -3.061) 13.992 6.292 ( -6.023 -12.972 5.270) 15.242 6.479 ( 0.355 -0.820 13.907) 13.936 6.718 ( 12.549 -8.417 -8.646) 17.409 7.262 ( 0.252 9.481 -0.588) 9.502 8.183 ( -0.620 -3.303 -3.080) 4.558 8.489 ( 7.576 1.794 2.305) 8.119 9.031 ( -13.042 -3.108 -4.551) 14.158 9.444 ( 0.325 4.083 3.294) 5.256 9.784 ( -0.683 -6.364 -0.096) 6.401 10.168 ( 7.189 6.538 -8.903) 13.179 10.601 ( -16.964 -2.730 9.382) 19.577 10.769 ( -0.306 -5.185 -3.457) 6.239 11.380 ( 4.371 -4.956 3.733) 7.590 11.789 ( -1.376 -3.759 0.445) 4.028 12.152 ( 0.156 -4.202 -1.007) 4.324 12.616 ( 6.324 -1.795 -10.471) 12.363 15.351 ( 15.545 6.328 -0.744) 16.800 15.419 ( 8.414 2.658 0.550) 8.841 17.676 ( 5.393 1.909 0.016) 5.721 18.020 ( -2.684 0.937 -0.213) 2.851 18.156 ( -6.956 -2.345 3.213) 8.013 18.288 ( -2.491 -1.068 -1.902) 3.311 18.579 ( -18.903 2.668 -1.494) 19.149 18.657 ( -19.855 -8.785 1.077) 21.738 22.640 ( 3.887 -2.042 -0.912) 4.484 23.000 ( -3.827 -6.650 2.000) 7.930 28.318 ( -6.116 -0.427 2.782) 6.732 28.897 ( 0.658 -0.537 1.798) 1.989 29.133 ( 0.934 -2.788 -0.820) 3.052 29.690 ( 1.242 -2.448 1.845) 3.308 30.224 ( -1.101 2.458 7.440) 7.912 30.652 ( 8.627 0.809 -5.919) 10.494 31.177 ( -8.688 -3.628 3.548) 10.062 31.919 ( -3.203 2.461 -7.688) 8.685 33.178 ( -2.016 13.497 8.496) 16.075 33.803 ( 11.802 6.568 -18.987) 23.301 35.097 ( 1.252 -7.034 3.751) 8.070 35.703 ( -10.112 -6.684 6.846) 13.921 46.245 ( -0.117 2.613 3.985) 4.766 46.674 ( 3.707 5.330 -3.229) 7.251 90.431 ( -9.526 -0.613 -2.402) 9.843 90.685 ( -21.156 -5.688 0.959) 21.928 91.395 ( 4.866 4.272 2.240) 6.852 92.382 ( -4.288 3.532 -2.675) 6.166 ======================= Grid point 234 (111/196) ======================= q-point: (-0.30 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( -3.429 17.597 16.860) 24.610 2.926 ( -13.172 17.808 4.609) 22.625 3.112 ( 8.435 31.448 4.185) 32.828 3.639 ( 2.377 3.649 5.957) 7.379 3.891 ( -2.574 10.511 1.469) 10.921 4.091 ( 5.730 15.425 -4.900) 17.169 4.551 ( -26.700 27.751 9.717) 39.717 5.015 ( 2.143 16.666 -7.473) 18.390 5.245 ( 3.830 -12.910 -4.336) 14.147 5.429 ( 3.919 1.867 -7.781) 8.909 6.363 ( -8.343 -9.864 2.563) 13.171 6.582 ( -1.957 -0.125 15.777) 15.898 6.918 ( 8.997 -6.249 -9.811) 14.705 7.175 ( 3.944 8.067 -0.488) 8.993 8.170 ( 0.056 -0.090 -3.442) 3.443 8.517 ( -4.810 0.943 -3.215) 5.862 8.889 ( -1.110 1.841 6.955) 7.279 9.459 ( 0.847 0.953 4.287) 4.473 9.873 ( 0.153 -8.267 -3.303) 8.903 10.141 ( 6.538 3.887 -8.451) 11.370 10.456 ( -13.156 -3.965 5.532) 14.812 10.806 ( -0.840 -4.535 -2.078) 5.058 11.497 ( -0.401 -4.627 3.939) 6.090 11.863 ( 1.871 -6.326 0.386) 6.608 12.202 ( -0.191 -4.982 -2.227) 5.460 12.607 ( 1.467 -1.021 -14.179) 14.291 15.410 ( 5.774 9.716 2.799) 11.643 15.567 ( 12.998 0.360 -4.081) 13.629 17.780 ( 9.068 -0.772 1.119) 9.169 17.900 ( -16.037 -2.184 3.588) 16.578 18.130 ( 2.724 1.448 -2.010) 3.682 18.235 ( -9.733 0.683 1.290) 9.842 18.314 ( -5.341 0.396 -2.510) 5.915 18.474 ( -16.519 -5.169 0.907) 17.333 22.726 ( 4.229 -2.153 0.597) 4.783 23.033 ( -6.631 -7.920 1.223) 10.402 28.365 ( 6.094 0.050 12.336) 13.759 28.944 ( 1.772 -1.524 2.449) 3.386 29.161 ( -0.211 -1.932 -1.358) 2.371 29.705 ( -2.851 -2.333 -2.420) 4.408 30.260 ( 1.017 1.629 9.167) 9.366 30.718 ( 7.261 1.375 -5.346) 9.121 31.103 ( -9.490 -2.648 3.057) 10.316 31.785 ( -3.186 1.410 -8.650) 9.326 33.007 ( -5.292 13.971 7.974) 16.934 33.744 ( 14.533 10.636 -20.901) 27.590 35.254 ( 1.146 -8.835 5.961) 10.720 35.711 ( -10.172 -10.488 6.803) 16.117 46.225 ( -0.997 4.137 4.640) 6.296 46.618 ( 2.339 6.033 -4.365) 7.805 90.314 ( -4.210 -0.376 -1.884) 4.627 90.443 ( -19.362 -4.250 0.312) 19.826 91.425 ( 3.523 5.348 5.050) 8.156 92.220 ( -4.628 5.048 -7.848) 10.415 ======================= Grid point 235 (112/196) ======================= q-point: (-0.20 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( -2.962 13.807 21.449) 25.680 2.467 ( -13.342 26.719 17.166) 34.447 2.980 ( 18.275 30.400 3.089) 35.605 3.565 ( -14.812 13.419 8.420) 21.687 3.690 ( 5.717 9.134 -4.280) 11.595 3.892 ( -17.895 25.215 10.392) 32.619 4.066 ( 11.738 11.886 -4.169) 17.218 4.815 ( 7.360 18.668 -4.846) 20.644 5.434 ( 5.359 -11.751 -5.098) 13.885 5.484 ( 9.187 -4.284 -11.104) 15.035 6.328 ( -10.918 -5.505 2.063) 12.400 6.627 ( -7.751 -1.295 10.049) 12.757 6.966 ( 4.292 0.996 -10.481) 11.369 7.165 ( 5.969 7.073 -0.209) 9.258 8.175 ( 4.737 0.466 -1.258) 4.923 8.359 ( -6.241 0.114 -4.336) 7.600 9.040 ( 7.446 -0.220 13.873) 15.746 9.483 ( -2.913 -0.550 6.266) 6.932 9.892 ( -1.534 -4.521 -9.357) 10.505 10.173 ( 7.470 0.521 -1.008) 7.555 10.449 ( -0.259 -8.454 -2.121) 8.720 10.821 ( -1.018 -2.493 -2.200) 3.478 11.559 ( -4.164 -5.478 5.529) 8.827 11.982 ( 1.522 -7.340 -0.915) 7.552 12.230 ( -1.376 -4.523 -4.183) 6.312 12.477 ( -5.336 1.259 -10.656) 11.983 15.333 ( -2.932 8.879 3.197) 9.882 15.674 ( 5.276 0.761 -5.440) 7.617 17.703 ( -15.680 -1.833 5.689) 16.780 17.966 ( 8.106 -0.762 2.245) 8.446 18.075 ( -3.438 -0.434 -3.008) 4.589 18.168 ( 6.896 1.519 -1.623) 7.245 18.256 ( -6.442 0.547 1.792) 6.709 18.403 ( 4.928 -0.613 -1.291) 5.131 22.831 ( 4.123 -2.540 2.950) 5.670 23.003 ( -9.913 -6.083 0.030) 11.631 28.687 ( 16.438 -4.205 14.494) 22.316 29.025 ( 2.766 -1.767 2.518) 4.137 29.190 ( 5.359 -3.126 0.852) 6.262 29.633 ( -6.439 -2.198 -6.255) 9.242 30.329 ( 0.716 0.436 8.552) 8.593 30.743 ( 3.667 2.255 -5.167) 6.726 31.022 ( -7.784 -1.208 5.499) 9.606 31.667 ( -1.770 0.542 -9.345) 9.526 32.806 ( -5.381 12.242 6.910) 15.052 33.666 ( 17.478 14.423 -22.190) 31.717 35.403 ( -8.385 -11.047 10.466) 17.374 35.775 ( -4.890 -11.713 4.746) 13.550 46.182 ( -1.494 4.948 4.835) 7.077 46.533 ( 1.360 5.941 -5.045) 7.911 90.254 ( -8.231 -0.913 0.671) 8.309 90.307 ( 4.174 -0.426 -1.011) 4.316 91.430 ( 1.218 6.472 6.743) 9.425 92.017 ( -2.659 6.869 -10.568) 12.882 ======================= Grid point 236 (113/196) ======================= q-point: (-0.10 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( 0.655 15.702 16.746) 22.966 2.207 ( 6.069 19.702 21.493) 29.782 2.955 ( 25.428 30.277 9.130) 40.578 3.173 ( -17.170 19.870 16.577) 31.056 3.480 ( 1.078 9.980 -5.876) 11.631 3.733 ( 3.331 5.616 2.393) 6.955 4.096 ( 12.274 7.537 -5.356) 15.367 4.684 ( 9.276 19.025 -0.544) 21.173 5.600 ( 4.501 -10.046 -9.632) 14.628 5.627 ( 9.204 -8.232 -12.037) 17.244 6.251 ( -5.310 -0.955 3.212) 6.278 6.507 ( -14.095 -1.802 1.617) 14.302 6.945 ( 5.594 4.830 -5.598) 9.271 7.111 ( 4.290 11.383 -2.946) 12.516 8.258 ( 2.224 -1.818 -1.019) 3.048 8.335 ( 6.754 -0.786 -2.429) 7.220 9.167 ( -11.601 -6.056 9.877) 16.395 9.524 ( 3.997 -1.069 5.942) 7.241 9.897 ( 5.311 -0.561 -4.023) 6.686 10.328 ( 10.379 -3.235 -0.927) 10.911 10.553 ( -0.168 -9.471 -6.603) 11.546 10.842 ( 6.324 -0.189 -1.465) 6.494 11.591 ( -8.876 -7.126 7.543) 13.655 12.022 ( -5.842 -4.231 -5.713) 9.201 12.212 ( -2.747 -2.325 -0.388) 3.620 12.339 ( -3.831 -0.204 -2.053) 4.352 15.168 ( -9.475 5.573 4.429) 11.851 15.615 ( -4.127 2.339 -5.354) 7.153 17.595 ( -5.333 -1.638 3.156) 6.410 17.956 ( 0.302 2.274 -0.979) 2.494 18.148 ( 4.577 0.582 0.446) 4.636 18.180 ( -2.695 -0.953 3.327) 4.387 18.357 ( 16.678 -1.888 -3.618) 17.171 18.545 ( 16.611 3.657 -1.077) 17.043 22.903 ( -9.776 -3.266 -0.576) 10.323 22.957 ( 3.168 -2.798 5.784) 7.163 28.944 ( 3.512 -2.112 4.233) 5.892 29.039 ( -1.060 -0.522 -2.034) 2.352 29.473 ( -8.922 -1.214 -10.626) 13.928 29.630 ( 26.975 -13.506 4.133) 30.449 30.380 ( -1.442 -0.301 6.140) 6.315 30.692 ( -0.734 2.406 -4.550) 5.199 31.001 ( -3.288 -0.227 8.902) 9.493 31.619 ( 3.812 -3.510 -7.552) 9.159 32.671 ( -1.538 6.985 5.791) 9.203 33.578 ( 19.753 17.711 -22.427) 34.739 35.398 ( -22.596 -12.217 12.593) 28.608 35.924 ( 1.389 -7.619 5.911) 9.742 46.132 ( -1.419 4.665 4.474) 6.617 46.447 ( 1.503 4.962 -4.543) 6.893 90.278 ( 10.991 -1.648 -1.696) 11.243 90.458 ( 14.447 -1.227 1.088) 14.540 91.394 ( -1.369 6.708 6.957) 9.760 91.831 ( 0.663 7.767 -9.684) 12.431 ======================= Grid point 240 (114/196) ======================= q-point: ( 0.30 0.30 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.769 ( 14.778 0.000 2.355) 14.964 2.980 ( 3.500 0.000 -15.163) 15.562 3.754 ( 5.410 0.000 4.072) 6.771 4.039 ( 4.745 0.000 -6.545) 8.084 4.284 ( 7.793 0.000 17.994) 19.609 4.679 ( 14.785 0.000 -5.473) 15.765 4.800 ( 14.154 0.000 -1.499) 14.233 4.884 ( 15.029 0.000 -8.060) 17.054 5.720 ( -4.815 -0.000 -15.449) 16.182 5.831 ( 6.405 0.000 -12.133) 13.720 6.132 ( 9.935 0.000 2.767) 10.313 6.278 ( 0.037 0.000 11.413) 11.413 6.882 ( -45.141 -0.000 20.207) 49.457 7.638 ( 1.159 0.000 5.208) 5.335 7.962 ( -0.626 -0.000 -1.139) 1.299 8.176 ( 12.730 0.000 1.585) 12.828 9.152 ( -4.272 -0.000 -13.125) 13.803 9.735 ( 0.768 0.000 5.454) 5.508 9.767 ( -7.009 -0.000 -5.815) 9.107 10.353 ( -8.817 -0.000 11.952) 14.853 10.532 ( 12.556 0.000 -14.028) 18.826 10.973 ( -9.330 -0.000 -0.352) 9.337 11.003 ( -0.442 -0.000 0.328) 0.551 11.816 ( -3.443 -0.000 0.896) 3.558 12.136 ( -2.697 -0.000 -1.492) 3.082 12.405 ( 8.134 0.000 1.488) 8.269 15.014 ( 12.741 0.000 -0.493) 12.751 15.386 ( 0.077 0.000 3.618) 3.619 17.815 ( 1.330 0.000 -2.453) 2.790 18.038 ( -3.649 -0.000 4.545) 5.828 18.152 ( 0.738 0.000 2.030) 2.160 18.315 ( -1.416 -0.000 -2.081) 2.517 18.876 ( -11.299 -0.000 -3.035) 11.700 19.110 ( -10.262 -0.000 2.265) 10.509 22.501 ( 0.582 0.000 -1.308) 1.432 23.014 ( -8.614 -0.000 2.979) 9.115 28.675 ( -15.191 -0.000 -9.066) 17.691 28.936 ( 3.778 0.000 -2.502) 4.531 28.980 ( -3.776 -0.000 -0.237) 3.783 29.419 ( 5.895 0.000 7.502) 9.542 30.299 ( -3.685 -0.000 3.718) 5.235 30.525 ( 6.273 0.000 -7.169) 9.526 31.193 ( -6.005 -0.000 8.851) 10.696 32.189 ( -0.475 -0.000 -7.640) 7.654 33.625 ( 14.983 0.000 -10.979) 18.575 33.650 ( 4.336 0.000 -1.825) 4.705 34.835 ( -2.484 -0.000 6.799) 7.239 35.830 ( -12.704 -0.000 6.816) 14.417 46.198 ( 2.536 0.000 2.236) 3.381 46.676 ( 7.016 0.000 -1.305) 7.136 90.806 ( -12.115 -0.000 -4.087) 12.786 91.012 ( -11.114 -0.000 6.078) 12.667 91.402 ( 4.257 0.000 -8.642) 9.633 92.471 ( 2.634 0.000 12.731) 13.000 ======================= Grid point 241 (115/196) ======================= q-point: ( 0.40 0.30 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.822 ( 8.628 13.146 -5.444) 16.641 3.135 ( 13.577 -9.485 -2.448) 16.741 3.745 ( 0.595 11.635 1.647) 11.766 4.056 ( -0.579 -0.026 -0.342) 0.673 4.445 ( 1.743 -5.620 7.052) 9.185 4.690 ( 12.812 26.533 -5.677) 30.006 4.811 ( 10.120 6.450 -4.825) 12.935 5.278 ( 9.430 -16.150 -2.631) 18.886 5.590 ( 2.206 1.298 -9.890) 10.216 5.859 ( -2.642 -9.961 -5.912) 11.881 6.175 ( -32.919 2.707 10.779) 34.745 6.314 ( 9.400 1.301 -3.948) 10.278 6.478 ( -7.782 0.443 18.702) 20.261 7.574 ( -5.696 2.929 0.455) 6.421 8.033 ( 5.641 -0.727 1.696) 5.935 8.384 ( 10.679 -0.871 2.580) 11.021 9.005 ( -5.171 -2.682 -11.021) 12.465 9.626 ( -6.957 -0.575 -3.564) 7.838 9.729 ( -4.109 1.781 4.809) 6.571 10.332 ( -2.902 0.813 7.379) 7.971 10.572 ( 4.530 -0.475 -11.616) 12.477 10.802 ( -11.698 0.463 0.192) 11.709 11.112 ( 8.244 -2.342 4.235) 9.560 11.756 ( -5.217 -0.805 0.684) 5.323 12.091 ( -2.133 -0.391 -1.062) 2.415 12.512 ( 7.301 -0.753 -5.527) 9.188 15.245 ( 18.753 1.768 0.257) 18.838 15.419 ( 3.053 1.354 2.362) 4.091 17.791 ( 2.126 5.161 -0.742) 5.631 18.027 ( -7.158 -4.539 6.087) 10.435 18.163 ( 1.838 2.601 -0.188) 3.191 18.286 ( -2.074 -1.830 -3.029) 4.101 18.648 ( -19.110 -4.370 -1.727) 19.680 18.918 ( -16.292 0.432 0.726) 16.314 22.524 ( 2.533 -1.070 -0.849) 2.878 22.924 ( -5.387 -0.928 0.471) 5.487 28.428 ( -11.496 -0.508 -2.903) 11.868 28.921 ( -0.616 1.986 0.202) 2.089 28.999 ( 1.484 -3.007 -0.766) 3.439 29.551 ( 3.634 -0.775 6.663) 7.629 30.277 ( -2.916 0.755 5.401) 6.184 30.586 ( 8.975 0.260 -7.280) 11.559 31.155 ( -7.055 -1.320 5.342) 8.947 32.098 ( -3.110 0.864 -8.072) 8.693 33.593 ( 3.838 10.255 1.123) 11.008 33.808 ( 10.480 -4.002 -11.635) 16.162 34.874 ( -0.315 -2.005 5.777) 6.123 35.694 ( -11.835 -1.207 5.062) 12.928 46.254 ( 2.570 0.385 2.910) 3.901 46.755 ( 5.876 1.420 -1.726) 6.287 90.597 ( -11.873 -0.208 -3.470) 12.372 90.836 ( -17.398 -0.997 4.246) 17.936 91.425 ( 5.797 1.255 -3.631) 6.954 92.530 ( -2.502 1.558 6.623) 7.249 ======================= Grid point 242 (116/196) ======================= q-point: (-0.50 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.745 ( 6.984 15.115 1.473) 16.715 3.436 ( 13.564 -5.519 0.422) 14.650 3.558 ( -0.293 14.615 -3.660) 15.069 3.980 ( -7.861 5.644 6.856) 11.860 4.465 ( 8.658 28.167 -4.388) 29.793 4.639 ( 5.047 -7.303 1.108) 8.946 4.745 ( 1.305 6.833 -5.584) 8.921 5.332 ( -18.879 0.388 4.287) 19.363 5.490 ( -1.634 5.603 -5.963) 8.344 5.820 ( -7.465 2.529 4.633) 9.142 5.958 ( -4.847 -13.305 -1.125) 14.205 6.375 ( 6.010 0.183 -0.533) 6.036 6.632 ( 7.021 -1.766 8.425) 11.108 7.456 ( -3.245 4.794 -0.807) 5.845 8.124 ( 4.882 -0.431 -0.820) 4.970 8.533 ( 6.642 1.247 2.304) 7.140 8.907 ( -5.885 -5.170 -7.430) 10.796 9.527 ( -5.323 -0.606 0.092) 5.358 9.679 ( -4.068 0.553 4.995) 6.465 10.327 ( 2.852 3.969 -2.243) 5.377 10.511 ( -12.291 -2.045 3.638) 12.980 10.665 ( -3.246 -3.362 -6.189) 7.755 11.295 ( 7.074 -1.840 3.785) 8.232 11.712 ( -3.548 -2.295 0.924) 4.325 12.075 ( -0.983 -1.875 -0.561) 2.190 12.566 ( 6.165 -1.738 -11.496) 13.160 15.470 ( 11.111 2.939 -0.769) 11.519 15.515 ( 14.902 3.879 2.054) 15.535 17.758 ( 2.299 4.594 0.871) 5.210 17.997 ( -10.702 -2.890 6.007) 12.608 18.152 ( 2.228 2.128 -2.025) 3.687 18.232 ( -4.704 -2.805 -4.282) 6.952 18.447 ( -16.150 -7.540 1.005) 17.851 18.634 ( -19.152 1.556 -0.556) 19.223 22.584 ( 3.272 -2.006 -0.523) 3.873 22.886 ( -3.073 -2.693 -0.391) 4.104 28.315 ( -4.500 0.017 4.547) 6.398 28.902 ( 0.118 0.926 1.013) 1.378 29.054 ( 0.967 -3.165 -0.460) 3.341 29.634 ( -0.017 -1.684 3.761) 4.121 30.276 ( -1.246 1.550 7.218) 7.487 30.671 ( 9.942 0.690 -7.360) 12.389 31.097 ( -7.526 -2.415 2.512) 8.294 31.963 ( -4.906 1.002 -8.616) 9.965 33.504 ( -0.343 11.389 4.673) 12.316 33.895 ( 11.575 0.661 -14.603) 18.646 34.955 ( 0.383 -3.879 5.661) 6.874 35.587 ( -10.433 -2.854 4.484) 11.709 46.301 ( 1.934 1.642 3.897) 4.650 46.784 ( 3.960 3.142 -2.592) 5.681 90.417 ( -9.051 -0.388 -2.814) 9.486 90.603 ( -18.187 -1.446 2.190) 18.375 91.482 ( 5.933 2.475 1.178) 6.535 92.470 ( -4.813 2.878 0.497) 5.630 ======================= Grid point 243 (117/196) ======================= q-point: (-0.40 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.646 ( 2.200 18.057 9.103) 20.341 3.349 ( 0.968 14.446 -5.077) 15.343 3.662 ( 8.567 -0.449 4.483) 9.680 3.756 ( -10.712 16.269 9.669) 21.746 4.199 ( -1.106 16.340 -1.113) 16.416 4.537 ( 6.956 17.189 -6.627) 19.692 4.903 ( 4.446 -14.111 -2.107) 14.944 5.047 ( -12.691 10.650 6.284) 17.719 5.344 ( -0.636 9.804 -5.193) 11.113 5.635 ( -3.227 11.462 -3.350) 12.369 6.072 ( -5.441 -11.668 3.915) 13.457 6.493 ( 1.602 -5.029 4.580) 6.988 6.821 ( 9.080 -2.320 2.256) 9.639 7.350 ( -0.692 5.252 -1.460) 5.495 8.179 ( 4.521 1.127 -2.243) 5.171 8.532 ( -6.130 0.192 -4.356) 7.522 8.894 ( 3.606 -1.057 2.726) 4.643 9.498 ( -1.235 -0.217 4.189) 4.372 9.678 ( -2.633 -4.035 1.324) 4.996 10.254 ( -2.631 4.037 -5.957) 7.661 10.366 ( -11.421 -3.040 4.511) 12.650 10.684 ( 2.362 -4.744 -5.355) 7.534 11.411 ( 2.011 -1.863 3.067) 4.113 11.732 ( -0.193 -4.044 1.246) 4.236 12.097 ( -0.201 -3.205 -0.744) 3.297 12.569 ( 3.807 -1.660 -14.776) 15.349 15.578 ( 7.481 1.821 0.514) 7.717 15.659 ( 11.731 7.728 -1.113) 14.092 17.779 ( 3.982 0.780 2.362) 4.695 17.852 ( -15.276 -1.158 5.041) 16.128 18.150 ( 1.873 -0.322 -3.886) 4.326 18.213 ( -2.200 -2.950 -0.325) 3.694 18.323 ( -10.361 -0.253 -2.444) 10.649 18.358 ( -12.402 -2.397 1.662) 12.740 22.662 ( 3.228 -2.695 0.165) 4.209 22.883 ( -3.195 -4.142 -0.562) 5.261 28.372 ( 4.697 0.382 12.126) 13.009 28.919 ( 1.313 -0.274 2.096) 2.489 29.094 ( -0.355 -3.058 -1.027) 3.245 29.641 ( -3.984 -2.392 -0.738) 4.706 30.307 ( 0.352 1.823 8.324) 8.528 30.749 ( 8.528 1.053 -6.961) 11.058 31.033 ( -7.174 -2.622 1.760) 7.838 31.811 ( -4.724 0.607 -9.368) 10.509 33.358 ( -3.738 13.034 5.783) 14.741 33.933 ( 13.309 4.199 -17.140) 22.103 35.066 ( 0.206 -5.583 6.934) 8.904 35.522 ( -9.043 -4.952 4.464) 11.235 46.323 ( 0.813 3.325 4.835) 5.924 46.756 ( 1.900 4.542 -3.688) 6.151 90.306 ( -3.566 -0.257 -2.105) 4.149 90.382 ( -14.240 -1.055 1.081) 14.320 91.549 ( 5.386 4.111 4.701) 8.246 92.333 ( -5.286 3.796 -4.700) 8.028 ======================= Grid point 244 (118/196) ======================= q-point: (-0.30 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( -0.088 19.048 12.642) 22.861 3.105 ( -1.814 21.488 4.799) 22.092 3.538 ( 4.788 14.252 1.450) 15.104 3.746 ( -3.728 4.230 10.100) 11.567 3.991 ( 1.161 13.012 -4.490) 13.814 4.422 ( 12.903 16.063 -8.420) 22.258 4.643 ( -16.226 27.428 8.295) 32.930 5.125 ( 1.228 -5.918 -1.425) 6.209 5.189 ( 5.505 3.568 -3.294) 7.341 5.518 ( 8.288 6.673 -7.646) 13.103 6.114 ( -10.345 -9.282 4.414) 14.583 6.569 ( -6.456 -3.425 8.863) 11.487 6.969 ( 8.309 -0.481 -3.765) 9.135 7.303 ( 2.873 3.127 -0.647) 4.295 8.208 ( 4.729 2.184 -1.755) 5.497 8.359 ( -8.326 -0.012 -4.793) 9.607 9.042 ( 7.233 0.280 7.194) 10.205 9.516 ( -2.827 2.608 8.483) 9.314 9.708 ( 0.276 -8.832 -9.051) 12.650 10.148 ( -7.037 -3.166 6.187) 9.890 10.321 ( 2.772 -0.786 -7.390) 7.932 10.748 ( 3.601 -3.152 -3.591) 5.983 11.456 ( -2.661 -2.601 3.470) 5.088 11.815 ( 1.579 -5.590 0.159) 5.811 12.127 ( -0.434 -3.387 -1.691) 3.810 12.496 ( -0.838 0.191 -13.760) 13.787 15.553 ( -4.614 7.464 0.749) 8.807 15.710 ( 5.950 2.613 -2.597) 6.998 17.672 ( -14.205 -0.744 6.777) 15.757 17.925 ( 10.286 -1.759 2.018) 10.629 18.069 ( -6.834 -0.332 -1.895) 7.100 18.193 ( 5.200 0.381 -3.421) 6.236 18.254 ( -7.876 -1.011 1.246) 8.037 18.357 ( 8.715 -2.393 -0.651) 9.061 22.753 ( 2.755 -3.530 1.641) 4.770 22.872 ( -4.914 -4.185 -0.910) 6.519 28.623 ( 13.303 -1.208 15.859) 20.735 28.982 ( 2.902 -1.375 3.533) 4.774 29.110 ( -0.498 -3.182 -1.066) 3.392 29.568 ( -6.713 -2.694 -5.643) 9.174 30.352 ( 0.056 1.241 7.597) 7.698 30.789 ( 5.017 1.375 -6.687) 8.472 30.983 ( -5.796 -1.736 4.713) 7.669 31.679 ( -2.409 0.234 -10.296) 10.577 33.150 ( -6.245 14.118 5.829) 16.502 33.942 ( 15.656 7.229 -19.656) 26.148 35.179 ( -5.437 -6.438 9.889) 12.993 35.526 ( -3.756 -7.845 3.733) 9.465 46.311 ( -0.455 4.862 5.363) 7.253 46.678 ( 0.330 5.217 -4.626) 6.980 90.240 ( -5.722 -0.228 0.448) 5.744 90.300 ( 4.291 -0.188 -1.131) 4.442 91.598 ( 3.741 6.320 7.148) 10.249 92.159 ( -4.037 4.455 -8.459) 10.377 ======================= Grid point 245 (119/196) ======================= q-point: (-0.20 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( 4.405 15.866 12.200) 20.493 2.890 ( 7.829 27.209 8.528) 29.570 3.519 ( 12.185 9.520 -5.137) 16.294 3.533 ( -13.321 12.076 7.636) 19.534 3.887 ( 5.582 13.058 -4.109) 14.784 4.084 ( -15.061 27.721 13.685) 34.388 4.375 ( 12.937 13.868 -6.724) 20.122 5.048 ( 0.996 6.164 -3.033) 6.942 5.380 ( 7.282 -6.893 -1.702) 10.170 5.557 ( 14.602 4.905 -11.193) 19.041 6.106 ( -9.023 -8.907 7.068) 14.516 6.498 ( -12.383 0.767 7.213) 14.351 7.030 ( 6.238 1.821 -5.458) 8.487 7.323 ( 5.050 3.999 -1.263) 6.564 8.220 ( -0.756 -0.934 -2.059) 2.384 8.317 ( 5.551 -0.305 -0.192) 5.563 9.083 ( -9.079 -0.457 3.273) 9.662 9.512 ( 1.145 0.418 5.206) 5.347 9.808 ( 6.404 -7.002 -5.320) 10.878 10.223 ( 1.279 -5.527 6.748) 8.816 10.347 ( 3.468 -4.288 -9.040) 10.590 10.834 ( 8.600 -0.435 -1.535) 8.747 11.458 ( -6.269 -3.591 5.418) 9.030 11.886 ( -0.944 -5.431 -4.372) 7.036 12.142 ( -1.277 -2.823 -1.155) 3.307 12.362 ( -4.032 1.404 -6.759) 7.995 15.331 ( -11.829 6.929 1.423) 13.783 15.679 ( -3.191 2.617 -3.086) 5.154 17.559 ( -7.334 -1.071 4.260) 8.549 17.995 ( 1.872 0.313 -0.372) 1.935 18.105 ( -2.288 -2.151 2.047) 3.749 18.207 ( 4.492 1.500 -1.294) 4.909 18.311 ( 14.436 -1.566 -0.934) 14.551 18.567 ( 16.057 -1.774 -0.771) 16.173 22.812 ( -6.207 -3.733 -0.636) 7.271 22.871 ( 1.963 -3.754 3.014) 5.198 28.900 ( 6.267 -1.192 6.736) 9.278 29.021 ( -1.215 -0.753 -2.135) 2.570 29.331 ( 17.724 -9.459 10.730) 22.776 29.433 ( -7.464 -2.145 -9.507) 12.276 30.377 ( -2.075 0.152 5.376) 5.765 30.752 ( -0.278 1.964 -6.867) 7.147 30.990 ( -2.318 -0.581 9.770) 10.058 31.586 ( 0.348 -0.055 -9.750) 9.756 32.923 ( -5.998 12.363 5.647) 14.856 33.931 ( 17.540 9.935 -21.850) 29.729 35.173 ( -15.044 -5.454 11.390) 19.642 35.681 ( 3.251 -10.413 4.715) 11.885 46.268 ( -1.414 5.673 5.251) 7.858 46.577 ( -0.122 5.013 -4.873) 6.993 90.245 ( 6.089 -0.941 -0.723) 6.204 90.431 ( 12.844 -0.825 0.246) 12.873 91.589 ( -0.171 8.251 7.361) 11.059 91.998 ( 0.122 5.164 -9.005) 10.381 ======================= Grid point 246 (120/196) ======================= q-point: (-0.10 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( 4.304 15.008 6.820) 17.037 2.775 ( 13.208 22.026 9.147) 27.263 3.248 ( -11.654 12.299 9.325) 19.340 3.567 ( 9.038 7.060 -7.054) 13.464 3.686 ( 10.979 15.806 4.660) 19.801 3.875 ( 2.033 11.395 0.986) 11.617 4.356 ( 12.229 11.983 -5.586) 18.009 4.976 ( 3.046 7.708 -0.624) 8.311 5.497 ( 2.808 -5.080 -7.016) 9.106 5.625 ( 6.694 2.151 -2.707) 7.535 6.243 ( 1.665 -9.480 6.141) 11.417 6.350 ( -3.219 4.633 6.363) 8.503 7.037 ( 4.096 3.810 -6.193) 8.346 7.298 ( 5.531 8.672 -4.331) 11.160 8.226 ( 1.178 -1.769 -2.729) 3.459 8.398 ( -2.258 -1.883 2.090) 3.607 8.966 ( -6.544 -3.784 2.762) 8.048 9.560 ( 0.201 -0.868 0.130) 0.900 9.974 ( 7.887 -4.945 -2.013) 9.524 10.300 ( 0.921 -3.942 -14.584) 15.136 10.441 ( 0.402 -7.606 11.257) 13.592 11.002 ( 12.828 0.918 0.101) 12.862 11.457 ( -5.828 -3.892 8.671) 11.149 11.824 ( -8.366 -2.598 -7.266) 11.381 12.154 ( -1.693 -2.559 1.382) 3.365 12.276 ( -2.834 -0.426 -1.084) 3.064 15.090 ( -11.195 4.501 1.856) 12.208 15.532 ( -7.178 2.939 -2.664) 8.201 17.543 ( -0.810 -3.112 0.306) 3.230 17.994 ( 0.759 2.555 -2.523) 3.670 18.145 ( 2.485 -3.685 4.063) 6.023 18.249 ( 3.052 2.346 1.818) 4.258 18.577 ( 18.063 -0.878 -2.949) 18.323 18.848 ( 18.941 -0.001 -0.349) 18.944 22.739 ( -6.470 -2.343 -1.780) 7.108 22.990 ( 1.246 -4.584 6.474) 8.029 28.961 ( -1.657 -1.418 -3.364) 4.009 29.014 ( 1.441 -0.499 1.774) 2.339 29.268 ( -5.234 -0.111 -10.950) 12.137 29.820 ( 15.883 -9.254 1.449) 18.439 30.363 ( -3.964 -0.843 2.945) 5.009 30.656 ( -2.513 1.582 -5.264) 6.044 31.056 ( -0.221 0.306 12.158) 12.164 31.589 ( 5.426 -4.900 -4.874) 8.787 32.773 ( -2.261 6.931 5.410) 9.078 33.890 ( 17.568 12.066 -23.268) 31.554 35.072 ( -17.102 -4.346 11.949) 21.310 35.897 ( 1.787 -9.096 6.870) 11.538 46.208 ( -1.619 5.390 4.508) 7.210 46.490 ( 0.963 3.855 -4.180) 5.767 90.438 ( 16.517 -4.348 -3.251) 17.386 90.696 ( 17.601 -2.528 2.261) 17.925 91.491 ( -4.381 7.387 3.651) 9.332 91.912 ( 5.468 7.424 -4.550) 10.282 ======================= Grid point 251 (121/196) ======================= q-point: ( 0.40 0.40 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.044 ( 7.069 0.000 1.738) 7.280 3.223 ( 11.659 0.000 -1.732) 11.787 3.877 ( -2.404 -0.000 7.678) 8.046 4.028 ( 5.064 0.000 -8.047) 9.508 4.390 ( -3.005 -0.000 3.502) 4.615 4.904 ( 4.641 0.000 -6.479) 7.969 5.119 ( -20.732 -0.000 6.519) 21.732 5.143 ( 14.917 0.000 -8.118) 16.983 5.557 ( 5.030 0.000 -2.806) 5.759 5.690 ( -6.047 -0.000 -5.229) 7.994 5.824 ( -12.697 -0.000 6.685) 14.349 6.479 ( 10.616 0.000 -6.003) 12.196 6.564 ( -0.534 -0.000 16.929) 16.937 7.507 ( -3.342 -0.000 -2.076) 3.934 8.136 ( 5.494 0.000 1.654) 5.738 8.547 ( 7.275 0.000 2.545) 7.707 8.830 ( -3.764 -0.000 -8.985) 9.741 9.490 ( -7.220 -0.000 -0.908) 7.276 9.717 ( -5.197 -0.000 7.492) 9.117 10.344 ( -3.719 -0.000 8.285) 9.081 10.555 ( 5.866 0.000 -14.046) 15.222 10.583 ( -15.971 -0.000 -1.042) 16.005 11.274 ( 8.795 0.000 4.165) 9.731 11.681 ( -4.326 -0.000 1.010) 4.443 12.053 ( -1.651 -0.000 -0.452) 1.712 12.542 ( 6.350 0.000 -11.988) 13.566 15.510 ( 6.020 0.000 1.574) 6.222 15.567 ( 20.361 0.000 0.591) 20.370 17.881 ( 4.608 0.000 -0.723) 4.664 17.902 ( -10.797 -0.000 8.218) 13.569 18.179 ( -5.859 -0.000 -3.364) 6.756 18.222 ( -1.458 -0.000 -3.441) 3.737 18.314 ( -13.749 -0.000 0.288) 13.752 18.655 ( -19.091 -0.000 -0.103) 19.092 22.556 ( 2.977 0.000 -0.274) 2.990 22.853 ( -2.852 -0.000 -1.351) 3.156 28.315 ( -4.079 -0.000 5.113) 6.541 28.927 ( -0.170 -0.000 0.116) 0.206 28.999 ( 1.074 0.000 0.173) 1.088 29.612 ( -0.479 -0.000 4.369) 4.395 30.297 ( -1.246 -0.000 7.224) 7.331 30.681 ( 10.543 0.000 -8.090) 13.289 31.065 ( -7.319 -0.000 2.299) 7.671 31.974 ( -5.455 -0.000 -8.856) 10.401 33.684 ( -1.141 -0.000 1.561) 1.934 33.873 ( 12.144 0.000 -11.106) 16.457 34.906 ( 0.391 0.000 6.188) 6.200 35.551 ( -10.298 -0.000 3.677) 10.935 46.323 ( 2.698 0.000 3.859) 4.709 46.825 ( 4.065 0.000 -2.353) 4.697 90.412 ( -8.850 -0.000 -2.923) 9.320 90.587 ( -17.461 -0.000 2.499) 17.639 91.514 ( 6.356 0.000 0.726) 6.397 92.509 ( -5.407 -0.000 1.639) 5.650 ======================= Grid point 252 (122/196) ======================= q-point: (-0.50 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.058 ( 5.155 13.633 6.126) 15.810 3.402 ( 0.796 -7.812 1.093) 7.929 3.826 ( 1.847 7.913 3.869) 9.000 4.023 ( 4.654 9.842 -0.781) 10.915 4.521 ( 2.686 -14.390 2.040) 14.780 4.631 ( -22.510 12.218 3.521) 25.853 4.859 ( 3.440 6.776 -7.748) 10.853 5.248 ( 4.301 6.942 -0.641) 8.192 5.504 ( -0.268 3.386 -6.003) 6.898 5.690 ( -5.325 -10.518 -5.757) 13.120 5.880 ( 5.934 0.256 6.266) 8.634 6.506 ( 4.414 5.405 0.233) 6.983 6.728 ( 2.176 -4.978 11.748) 12.943 7.434 ( -2.406 1.562 -4.718) 5.521 8.218 ( 6.094 1.329 -0.324) 6.245 8.531 ( -7.101 -0.142 -4.928) 8.645 8.864 ( 9.707 -0.853 1.058) 9.801 9.417 ( -4.996 -2.970 1.890) 6.112 9.698 ( -3.591 2.036 9.375) 10.243 10.259 ( -20.332 -1.848 4.038) 20.811 10.380 ( 0.314 2.536 -3.848) 4.620 10.581 ( 6.480 -2.859 -10.415) 12.595 11.395 ( 3.364 0.090 3.055) 4.545 11.658 ( -1.160 -1.629 1.620) 2.574 12.042 ( -0.393 -1.075 0.054) 1.146 12.536 ( 5.622 -0.755 -15.627) 16.624 15.614 ( 6.525 0.876 1.548) 6.763 15.805 ( 12.262 3.146 -1.008) 12.699 17.787 ( -11.852 -0.282 8.315) 14.480 17.891 ( -2.423 4.477 0.018) 5.091 18.042 ( -4.198 -6.595 -1.078) 7.892 18.184 ( 1.615 0.208 -3.744) 4.082 18.279 ( -0.255 -1.395 -1.164) 1.834 18.366 ( -17.113 0.667 -0.793) 17.144 22.606 ( 2.464 -1.334 0.243) 2.813 22.816 ( -1.775 -1.255 -2.048) 2.987 28.380 ( 4.248 0.209 12.344) 13.057 28.930 ( 1.038 0.849 1.040) 1.697 29.022 ( -0.248 -2.199 -0.329) 2.237 29.596 ( -4.670 -0.973 0.320) 4.781 30.342 ( 0.167 0.773 7.908) 7.948 30.770 ( 9.459 0.533 -8.635) 12.819 30.981 ( -6.257 -1.199 1.601) 6.569 31.818 ( -5.628 0.079 -9.729) 11.239 33.626 ( -2.219 6.859 2.498) 7.630 33.968 ( 10.820 -0.650 -12.074) 16.225 34.974 ( 0.696 -1.739 7.099) 7.342 35.443 ( -8.578 -1.484 2.955) 9.193 46.383 ( 1.891 1.267 4.929) 5.430 46.837 ( 1.659 1.694 -3.306) 4.068 90.302 ( -3.127 -0.068 -2.146) 3.793 90.370 ( -12.849 -0.132 1.191) 12.905 91.622 ( 6.660 1.514 4.377) 8.113 92.403 ( -6.445 1.488 -3.033) 7.277 ======================= Grid point 253 (123/196) ======================= q-point: (-0.40 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.967 ( 1.754 16.770 8.250) 18.771 3.422 ( -0.683 2.454 -0.480) 2.592 3.777 ( -6.625 3.432 5.732) 9.409 3.945 ( 4.262 14.702 6.440) 16.607 4.300 ( 0.377 10.574 -2.706) 10.921 4.715 ( -0.291 2.800 -5.368) 6.061 4.852 ( 10.308 -7.617 -0.494) 12.826 5.141 ( -2.004 10.750 0.540) 10.949 5.412 ( -2.200 8.656 -6.655) 11.138 5.632 ( 0.675 -0.514 -4.388) 4.470 5.960 ( -2.939 -0.528 7.151) 7.750 6.529 ( 2.080 1.560 3.156) 4.089 6.909 ( 4.069 -4.628 7.029) 9.348 7.337 ( -2.822 0.324 -5.325) 6.035 8.273 ( 4.492 2.434 -0.947) 5.196 8.363 ( -8.298 0.298 -4.651) 9.517 9.052 ( 11.000 0.465 3.102) 11.439 9.454 ( 0.284 -6.460 1.471) 6.631 9.662 ( -5.547 4.929 6.122) 9.620 10.033 ( -14.721 -5.275 5.037) 16.429 10.348 ( 2.726 1.592 -6.556) 7.277 10.671 ( 9.138 -2.560 -6.807) 11.678 11.423 ( -1.931 -0.234 2.582) 3.233 11.704 ( 1.232 -3.092 1.497) 3.649 12.063 ( 0.582 -1.642 -0.286) 1.765 12.492 ( 2.654 -0.346 -16.017) 16.239 15.669 ( -0.504 2.228 1.599) 2.788 15.819 ( -0.179 4.743 -2.172) 5.220 17.656 ( -13.078 -0.627 7.766) 15.223 17.907 ( 8.111 0.629 1.620) 8.295 18.043 ( -5.847 -1.874 -0.783) 6.190 18.198 ( 3.707 0.199 -5.267) 6.444 18.204 ( -2.804 -2.233 0.999) 3.721 18.306 ( 5.071 -1.528 -1.367) 5.469 22.667 ( 1.528 -2.820 1.043) 3.373 22.792 ( -2.326 -2.087 -2.262) 3.857 28.610 ( 11.660 -0.058 16.810) 20.458 28.961 ( 2.286 -0.203 2.840) 3.651 29.034 ( -1.367 -2.612 -1.380) 3.255 29.507 ( -7.234 -1.914 -4.661) 8.816 30.384 ( -0.329 1.106 6.283) 6.388 30.815 ( 5.601 0.735 -8.259) 10.006 30.941 ( -3.990 -1.361 4.603) 6.241 31.678 ( -2.693 -0.210 -10.936) 11.264 33.483 ( -4.330 11.259 3.312) 12.509 34.037 ( 11.335 0.597 -14.283) 18.244 35.067 ( -0.608 -2.690 8.776) 9.199 35.380 ( -6.032 -3.641 2.537) 7.488 46.414 ( 0.386 2.971 5.724) 6.461 46.786 ( -0.513 3.083 -4.288) 5.306 90.238 ( -5.072 0.037 0.272) 5.080 90.297 ( 4.286 -0.013 -1.155) 4.439 91.732 ( 6.447 3.902 7.225) 10.440 92.245 ( -6.129 2.317 -6.763) 9.416 ======================= Grid point 254 (124/196) ======================= q-point: (-0.30 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.832 ( 3.234 17.658 6.956) 19.252 3.380 ( 6.698 7.776 -2.597) 10.587 3.691 ( 1.364 6.171 1.124) 6.419 3.809 ( -8.682 12.575 9.928) 18.223 4.230 ( 10.237 13.901 -3.576) 17.630 4.584 ( -4.197 8.446 -3.030) 9.906 4.853 ( -6.304 19.983 -1.165) 20.986 5.030 ( -5.351 -3.986 -1.628) 6.868 5.281 ( 7.330 -0.977 -2.295) 7.743 5.741 ( 17.990 4.327 -3.666) 18.863 5.918 ( -10.246 -2.353 6.747) 12.492 6.538 ( -2.878 2.466 6.600) 7.611 7.032 ( 3.306 -1.657 -1.509) 3.994 7.309 ( 0.447 -3.949 -1.798) 4.362 8.213 ( -3.486 0.284 -3.297) 4.807 8.322 ( 1.706 0.555 1.932) 2.636 9.133 ( -1.692 3.748 -1.042) 4.242 9.534 ( -0.262 -1.246 -5.556) 5.701 9.603 ( 2.795 -5.085 6.525) 8.732 10.058 ( -2.784 -6.465 11.060) 13.110 10.328 ( 4.480 0.829 -9.308) 10.364 10.822 ( 13.449 -0.497 -2.957) 13.779 11.397 ( -5.355 -1.357 3.757) 6.681 11.770 ( 0.797 -3.574 -1.555) 3.978 12.086 ( 0.421 -1.353 -0.864) 1.660 12.390 ( -1.924 0.603 -11.748) 11.920 15.504 ( -12.380 6.454 0.366) 13.966 15.739 ( -4.361 1.809 -0.951) 4.816 17.541 ( -9.214 -0.454 5.401) 10.691 17.954 ( -2.393 -2.657 2.483) 4.353 18.098 ( 4.876 1.208 -1.713) 5.308 18.228 ( 7.123 0.285 -1.631) 7.312 18.280 ( 11.543 -0.970 -0.111) 11.584 18.478 ( 12.751 -4.696 -1.140) 13.636 22.721 ( -2.519 -3.265 0.289) 4.134 22.779 ( -0.227 -3.216 -0.344) 3.242 28.888 ( 7.346 0.255 8.297) 11.085 29.005 ( -1.054 -0.560 -1.922) 2.262 29.140 ( 11.685 -5.703 12.239) 17.856 29.374 ( -7.058 -2.380 -8.731) 11.477 30.387 ( -2.573 0.576 3.489) 4.373 30.788 ( 0.243 0.901 -8.315) 8.367 30.974 ( -0.902 -0.634 10.582) 10.639 31.587 ( 1.346 -0.062 -11.957) 12.033 33.266 ( -6.526 13.768 3.959) 15.742 34.083 ( 12.236 2.216 -16.931) 21.006 35.105 ( -6.891 -0.527 9.308) 11.593 35.435 ( 0.862 -8.369 3.735) 9.205 46.401 ( -1.328 4.530 5.931) 7.580 46.690 ( -1.682 3.713 -4.892) 6.367 90.230 ( 4.023 -0.287 -0.534) 4.068 90.417 ( 11.779 -0.358 0.002) 11.784 91.794 ( 2.391 7.476 7.419) 10.800 92.091 ( -1.696 2.168 -7.399) 7.894 ======================= Grid point 255 (125/196) ======================= q-point: (-0.20 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.735 ( 6.201 15.067 2.838) 16.538 3.395 ( 9.859 5.684 -7.484) 13.621 3.441 ( -9.990 22.542 4.641) 25.090 3.734 ( 3.540 3.733 2.127) 5.567 4.095 ( -2.606 16.892 -2.421) 17.262 4.261 ( -7.009 17.876 4.388) 19.696 4.644 ( 3.569 8.823 -2.612) 9.870 4.975 ( -2.058 -4.423 -6.460) 8.095 5.424 ( 6.069 -1.659 -0.201) 6.295 5.796 ( -1.695 5.407 3.158) 6.487 6.034 ( 15.227 -3.804 2.693) 15.924 6.488 ( -3.139 6.128 10.488) 12.546 7.058 ( 2.672 -1.623 -6.113) 6.866 7.380 ( 3.450 -2.255 -2.622) 4.885 8.186 ( 0.731 -1.698 -2.044) 2.756 8.345 ( -5.281 -1.985 3.968) 6.897 8.965 ( -4.829 3.963 -3.689) 7.255 9.560 ( 2.442 -0.142 -0.908) 2.609 9.773 ( 4.901 -8.155 -1.460) 9.626 10.213 ( 2.074 -6.474 6.626) 9.493 10.314 ( 2.120 0.262 -5.656) 6.046 11.038 ( 15.694 1.542 -0.080) 15.770 11.378 ( -4.497 -2.426 8.191) 9.654 11.757 ( -4.112 -2.234 -7.151) 8.545 12.101 ( -0.221 -1.409 0.090) 1.429 12.278 ( -3.612 0.233 -3.826) 5.267 15.228 ( -12.539 6.227 0.240) 14.002 15.603 ( -8.416 2.309 -1.325) 8.827 17.481 ( -4.162 -1.751 2.027) 4.950 18.019 ( -2.679 -4.734 4.685) 7.179 18.082 ( 5.792 3.267 -2.974) 7.284 18.300 ( 4.849 1.462 -0.180) 5.068 18.558 ( 19.038 -0.631 0.089) 19.049 18.769 ( 17.460 -5.648 -1.274) 18.395 22.680 ( -4.776 -2.129 -2.032) 5.610 22.864 ( 1.156 -5.088 3.716) 6.406 28.929 ( -2.488 -1.040 -4.329) 5.100 29.007 ( 2.001 -0.023 2.035) 2.854 29.246 ( -3.817 -1.558 -9.469) 10.328 29.589 ( 18.532 -7.975 12.541) 23.755 30.348 ( -4.690 -0.317 1.653) 4.983 30.695 ( -2.612 1.179 -7.451) 7.983 31.064 ( 0.286 0.357 13.462) 13.470 31.541 ( 3.402 -0.090 -9.812) 10.385 33.024 ( -6.584 12.447 4.823) 14.884 34.090 ( 11.219 3.839 -19.334) 22.681 35.040 ( -8.311 1.378 8.602) 12.040 35.634 ( 2.952 -10.782 5.944) 12.660 46.349 ( -2.587 5.351 5.390) 8.024 46.584 ( -1.340 3.335 -4.721) 5.934 90.359 ( 11.929 -2.013 -1.409) 12.179 90.648 ( 16.516 -1.285 1.180) 16.608 91.687 ( -5.811 7.607 -0.042) 9.573 92.070 ( 6.956 5.033 0.137) 8.586 ======================= Grid point 256 (126/196) ======================= q-point: (-0.10 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.620 ( 2.034 15.192 -2.570) 15.541 3.086 ( -8.215 7.424 1.063) 11.124 3.340 ( -0.527 15.806 0.719) 15.831 3.665 ( 1.490 5.796 -4.070) 7.237 3.966 ( 5.942 2.126 -5.363) 8.282 4.038 ( 3.206 15.210 0.737) 15.562 4.611 ( 5.263 4.709 -2.646) 7.542 5.009 ( 3.582 -3.549 -1.621) 5.297 5.484 ( 4.532 2.201 -2.808) 5.768 5.754 ( -0.950 3.026 7.418) 8.068 6.255 ( 1.269 2.839 11.049) 11.479 6.565 ( 14.756 0.002 6.175) 15.995 7.060 ( 1.101 1.075 -6.164) 6.353 7.412 ( 7.469 2.213 -8.300) 11.383 8.191 ( -18.757 -3.199 1.395) 19.079 8.227 ( 1.728 0.020 -1.085) 2.041 8.971 ( 6.266 -2.849 3.360) 7.659 9.554 ( 0.221 2.101 -2.730) 3.452 9.923 ( 3.660 -9.714 -6.485) 12.240 10.203 ( -0.657 2.526 -9.667) 10.013 10.458 ( 3.694 -7.308 10.781) 13.538 11.141 ( -0.011 1.643 1.093) 1.974 11.517 ( 8.696 -1.085 11.339) 14.331 11.605 ( -10.474 -0.641 -6.662) 12.429 12.118 ( -0.505 -1.635 0.880) 1.924 12.225 ( -2.410 -0.473 0.182) 2.463 15.002 ( -7.844 4.168 -0.930) 8.931 15.441 ( -7.364 2.211 -0.756) 7.725 17.488 ( -0.021 -3.645 -1.247) 3.852 17.993 ( -1.696 1.232 -0.151) 2.101 18.209 ( 6.963 -2.819 1.774) 7.718 18.335 ( 2.035 2.563 2.427) 4.074 18.822 ( 16.316 0.506 -1.205) 16.368 19.072 ( 14.065 -3.648 -0.510) 14.539 22.622 ( -3.636 -1.574 -2.306) 4.584 22.979 ( 0.017 -5.323 6.145) 8.130 28.857 ( -1.966 -1.682 -8.482) 8.868 29.058 ( 2.175 -0.293 2.664) 3.452 29.165 ( -0.312 0.132 -7.262) 7.270 29.911 ( 5.401 -0.840 -2.274) 5.920 30.306 ( -2.534 -1.970 1.602) 3.588 30.588 ( -2.770 0.722 -5.810) 6.477 31.164 ( 0.606 0.738 13.930) 13.963 31.586 ( 6.201 -5.047 -2.595) 8.406 32.858 ( -3.479 6.851 5.602) 9.509 34.034 ( 8.225 4.783 -20.532) 22.629 34.971 ( -5.143 2.857 8.016) 9.943 35.843 ( 0.313 -9.502 7.167) 11.906 46.276 ( -2.757 5.023 4.318) 7.175 46.509 ( 0.436 2.013 -3.836) 4.354 90.599 ( 15.390 -4.726 -2.855) 16.351 90.936 ( 15.759 -2.328 3.140) 16.236 91.482 ( -7.825 5.662 -2.835) 10.066 92.124 ( 9.086 8.248 3.356) 12.722 ======================= Grid point 262 (127/196) ======================= q-point: (-0.50 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.281 ( 0.659 0.000 9.950) 9.972 3.340 ( 0.867 -0.000 0.063) 0.869 3.810 ( -9.066 -0.000 4.934) 10.321 4.335 ( -13.910 -0.003 10.127) 17.206 4.335 ( 21.078 0.003 -9.922) 23.297 4.590 ( 6.207 -0.000 5.126) 8.050 4.838 ( -3.800 -0.000 -5.287) 6.511 5.334 ( -5.170 0.000 -8.345) 9.817 5.480 ( -6.264 -0.000 -6.079) 8.729 5.542 ( 13.179 -0.000 -4.290) 13.860 6.030 ( 3.009 -0.000 7.518) 8.098 6.590 ( 3.021 -0.000 -2.438) 3.882 6.803 ( -0.041 -0.000 17.019) 17.020 7.340 ( -4.887 -0.000 -8.228) 9.569 8.308 ( 4.021 -0.000 0.369) 4.038 8.369 ( -8.104 -0.000 -5.167) 9.612 9.059 ( 13.155 -0.000 1.804) 13.278 9.364 ( -1.219 -0.000 2.241) 2.551 9.764 ( -0.202 -0.000 12.455) 12.457 9.932 ( -21.202 -0.000 -0.133) 21.202 10.372 ( 0.390 -0.000 -4.184) 4.203 10.635 ( 12.502 -0.000 -9.265) 15.561 11.424 ( -2.217 -0.000 2.488) 3.333 11.663 ( 1.272 -0.000 1.939) 2.319 12.043 ( 1.169 -0.000 0.250) 1.196 12.486 ( 3.926 -0.000 -16.981) 17.429 15.697 ( 0.972 -0.000 2.547) 2.726 15.886 ( -2.687 -0.000 -2.431) 3.623 17.646 ( -12.586 -0.000 8.090) 14.962 17.936 ( 6.303 -0.000 1.840) 6.566 17.997 ( -2.620 -0.000 -0.731) 2.720 18.172 ( -2.194 -0.000 1.038) 2.427 18.204 ( 4.068 -0.000 -6.189) 7.406 18.284 ( 2.148 -0.000 -1.724) 2.755 22.628 ( 1.237 -0.000 0.898) 1.528 22.766 ( -1.686 -0.000 -2.839) 3.302 28.611 ( 11.237 -0.000 17.356) 20.676 28.967 ( 1.954 -0.000 1.541) 2.488 28.991 ( -1.274 -0.000 -0.675) 1.442 29.481 ( -7.556 -0.000 -4.232) 8.661 30.399 ( -0.441 -0.000 5.741) 5.758 30.825 ( 5.789 -0.000 -9.466) 11.096 30.922 ( -3.322 -0.000 5.183) 6.156 31.674 ( -2.831 -0.000 -11.117) 11.472 33.650 ( -2.492 -0.000 1.335) 2.827 34.024 ( 8.499 -0.000 -10.780) 13.727 35.033 ( 1.072 -0.000 8.303) 8.372 35.336 ( -6.710 -0.000 1.782) 6.943 46.453 ( 0.705 -0.000 5.850) 5.892 46.826 ( -0.834 -0.000 -4.169) 4.252 90.239 ( -4.959 -0.000 0.207) 4.963 90.297 ( 4.268 -0.000 -1.152) 4.421 91.783 ( 7.735 -0.000 7.210) 10.574 92.275 ( -7.226 -0.000 -6.140) 9.483 ======================= Grid point 264 (128/196) ======================= q-point: (-0.40 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.227 ( 0.947 12.283 5.905) 13.662 3.415 ( -0.677 -2.735 2.434) 3.723 3.714 ( -4.448 -1.598 -1.156) 4.865 4.203 ( 1.218 13.136 6.274) 14.608 4.529 ( 14.903 5.535 -5.877) 16.949 4.663 ( -5.049 2.507 0.904) 5.709 4.852 ( 1.166 -7.425 1.147) 7.603 5.143 ( -6.576 1.896 -4.221) 8.041 5.307 ( -7.982 1.418 -8.281) 11.589 5.763 ( 16.156 0.378 -0.802) 16.181 6.024 ( -4.194 6.198 7.548) 10.629 6.601 ( 3.223 1.525 -3.471) 4.976 6.958 ( 1.016 -3.145 13.174) 13.583 7.210 ( -4.700 -2.443 -6.845) 8.655 8.224 ( -5.954 0.335 -3.888) 7.118 8.335 ( -1.946 0.289 3.445) 3.967 9.227 ( 7.632 2.813 -1.058) 8.202 9.394 ( 2.261 -4.409 -6.602) 8.254 9.649 ( -9.487 3.130 6.152) 11.733 9.917 ( 1.284 -4.058 12.345) 13.058 10.344 ( 2.232 0.282 -7.159) 7.504 10.812 ( 17.389 -0.215 -4.694) 18.012 11.380 ( -5.873 -0.228 3.119) 6.653 11.708 ( 1.612 -1.272 0.458) 2.104 12.071 ( 2.152 -0.083 -0.306) 2.175 12.395 ( -0.454 -0.047 -15.222) 15.229 15.640 ( -9.408 3.686 1.826) 10.268 15.758 ( -8.953 -0.305 -0.936) 9.007 17.533 ( -9.914 -0.179 6.697) 11.966 17.903 ( -6.189 -1.053 1.100) 6.373 18.132 ( 14.222 0.955 0.134) 14.255 18.235 ( 7.280 0.243 -1.594) 7.456 18.270 ( 10.075 0.828 -2.238) 10.354 18.357 ( 8.016 -4.230 -1.284) 9.154 22.658 ( 0.113 -1.400 1.528) 2.075 22.721 ( -2.121 -1.223 -2.933) 3.820 28.912 ( 8.347 1.497 9.580) 12.794 28.977 ( -0.354 -1.905 -0.746) 2.076 29.048 ( 8.258 -1.364 10.837) 13.693 29.325 ( -7.294 -1.132 -8.193) 11.028 30.400 ( -2.836 0.328 1.943) 3.453 30.801 ( 0.381 0.238 -8.978) 8.990 30.962 ( 0.043 -0.273 11.158) 11.161 31.583 ( 2.287 -0.151 -12.967) 13.168 33.563 ( -3.781 7.880 1.145) 8.815 34.071 ( 6.896 -1.964 -11.336) 13.413 35.113 ( -0.058 0.615 9.181) 9.202 35.281 ( -3.479 -3.391 1.478) 5.078 46.483 ( -1.235 1.719 6.326) 6.671 46.756 ( -2.661 1.373 -4.892) 5.736 90.227 ( 3.367 -0.024 -0.520) 3.407 90.411 ( 11.271 -0.084 -0.020) 11.272 91.945 ( 7.301 3.805 8.598) 11.904 92.112 ( -5.924 -0.232 -7.619) 9.654 ======================= Grid point 265 (129/196) ======================= q-point: (-0.30 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.108 ( 2.112 13.590 0.606) 13.767 3.406 ( -4.245 -0.262 -0.206) 4.258 3.721 ( 1.057 -3.947 -2.817) 4.963 4.059 ( 3.022 21.218 2.395) 21.566 4.500 ( -2.504 14.141 -2.688) 14.610 4.567 ( -3.000 3.668 1.180) 4.883 4.785 ( -7.032 -3.637 -12.121) 14.478 4.947 ( -6.922 8.829 2.152) 11.423 5.324 ( 3.825 -6.837 3.507) 8.583 5.835 ( -6.465 3.512 7.297) 10.362 6.084 ( 16.717 2.057 0.967) 16.871 6.596 ( 2.659 0.830 -5.184) 5.885 7.025 ( -0.128 0.782 2.916) 3.022 7.248 ( 2.573 -6.510 2.252) 7.354 8.140 ( -2.776 -1.544 -2.743) 4.197 8.303 ( -7.949 -1.324 6.519) 10.365 9.122 ( -2.380 7.117 -9.271) 11.928 9.473 ( 4.778 -6.028 -6.488) 10.063 9.669 ( 2.233 -0.912 7.942) 8.300 10.081 ( 3.353 -2.888 10.328) 11.236 10.332 ( 3.674 0.330 -8.069) 8.872 11.069 ( 18.261 0.774 -2.368) 18.430 11.333 ( -4.603 -1.140 7.850) 9.171 11.717 ( -1.650 -0.971 -4.569) 4.954 12.093 ( 1.754 0.739 -1.066) 2.182 12.272 ( -3.593 -0.763 -8.190) 8.976 15.394 ( -13.036 6.542 0.573) 14.597 15.629 ( -9.558 -0.590 0.136) 9.577 17.454 ( -6.317 -0.462 4.243) 7.624 17.895 ( -2.063 -4.103 3.748) 5.927 18.191 ( 5.423 4.849 -3.088) 7.903 18.323 ( 6.095 0.427 -1.551) 6.303 18.544 ( 19.474 -0.421 2.512) 19.639 18.597 ( 15.989 -7.192 -2.564) 17.718 22.642 ( -3.092 -0.604 -2.088) 3.780 22.743 ( 0.745 -4.167 1.919) 4.647 28.909 ( -3.007 -0.533 -4.237) 5.223 29.013 ( 2.069 0.449 1.311) 2.490 29.199 ( -3.029 -1.829 -8.708) 9.400 29.436 ( 17.741 -3.977 17.782) 25.432 30.345 ( -4.856 0.018 0.140) 4.858 30.713 ( -2.627 0.374 -8.186) 8.606 31.072 ( 1.199 0.253 14.700) 14.751 31.546 ( 5.344 0.175 -13.651) 14.661 33.362 ( -6.242 12.849 2.032) 14.429 34.103 ( 5.226 -2.273 -13.187) 14.366 35.109 ( -2.592 3.489 5.428) 6.953 35.384 ( 1.897 -8.466 6.066) 10.586 46.463 ( -3.255 3.317 6.129) 7.691 46.652 ( -3.169 1.897 -5.105) 6.301 90.328 ( 10.028 -0.596 -0.968) 10.093 90.627 ( 16.035 -0.463 1.046) 16.075 91.854 ( -7.415 5.056 -5.835) 10.704 92.167 ( 9.607 2.596 6.892) 12.105 ======================= Grid point 266 (130/196) ======================= q-point: (-0.20 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.956 ( 0.948 11.103 -6.348) 12.825 3.247 ( -15.681 4.094 -0.229) 16.209 3.744 ( 0.874 4.587 -0.637) 4.713 3.807 ( -0.325 13.326 -7.461) 15.276 4.149 ( -11.846 13.304 -3.156) 18.091 4.437 ( -2.884 13.379 2.150) 13.854 4.644 ( -2.861 -0.805 -0.877) 3.099 4.905 ( 3.027 -1.031 -2.919) 4.329 5.492 ( 6.415 -4.195 1.517) 7.814 5.773 ( -4.010 0.675 6.694) 7.832 6.300 ( 8.298 -0.294 5.468) 9.942 6.611 ( 3.761 -0.888 -2.124) 4.410 7.055 ( 2.180 2.233 4.830) 5.750 7.385 ( 7.630 -3.005 -3.289) 8.835 8.108 ( -7.611 -2.959 -1.438) 8.292 8.229 ( -6.232 -0.971 3.662) 7.293 8.985 ( 2.782 3.899 -4.879) 6.837 9.555 ( 2.317 -4.149 -4.392) 6.471 9.762 ( 2.815 -1.481 1.148) 3.381 10.236 ( 5.120 -1.227 -1.785) 5.559 10.329 ( 2.909 -1.046 2.283) 3.843 11.167 ( -0.658 0.229 -1.357) 1.525 11.499 ( 12.179 -0.391 11.877) 17.016 11.594 ( -8.019 -0.055 -8.434) 11.638 12.096 ( 0.691 0.076 -0.535) 0.877 12.216 ( -1.341 -0.609 -0.524) 1.563 15.135 ( -9.905 6.011 -0.973) 11.627 15.491 ( -7.988 1.352 0.265) 8.106 17.422 ( -2.220 -1.573 1.199) 2.973 17.962 ( -1.380 -3.989 3.966) 5.792 18.204 ( 6.168 2.909 -1.765) 7.044 18.381 ( 3.465 1.135 0.267) 3.656 18.819 ( 15.039 -1.507 0.192) 15.116 18.935 ( 16.987 -5.554 -0.971) 17.898 22.589 ( -2.427 -0.841 -2.588) 3.647 22.845 ( 1.610 -4.993 4.297) 6.781 28.824 ( -2.539 -0.916 -7.749) 8.206 29.050 ( 1.916 -0.212 1.463) 2.420 29.152 ( 1.236 -0.980 -6.785) 6.966 29.848 ( 14.378 -3.252 9.146) 17.348 30.270 ( -4.954 -0.834 0.228) 5.029 30.606 ( -2.854 0.538 -7.605) 8.141 31.187 ( 0.465 1.099 14.910) 14.958 31.538 ( 5.514 -0.088 -9.486) 10.972 33.111 ( -7.360 12.490 3.925) 15.019 34.076 ( 1.989 -1.062 -15.067) 15.235 35.071 ( 0.373 4.263 3.407) 5.470 35.591 ( 2.374 -9.642 8.233) 12.899 46.396 ( -4.494 4.155 5.142) 7.994 46.553 ( -2.185 1.332 -4.485) 5.163 90.516 ( 13.288 -2.011 -1.227) 13.495 90.899 ( 16.778 -0.817 2.034) 16.921 91.618 ( -9.173 4.657 -6.616) 12.231 92.320 ( 11.002 7.000 7.627) 15.107 ======================= Grid point 267 (131/196) ======================= q-point: (-0.10 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.732 ( -4.461 11.043 -10.206) 15.685 2.895 ( -17.992 1.224 -4.528) 18.594 3.507 ( -7.959 16.249 2.474) 18.262 3.714 ( 0.058 4.295 -3.459) 5.514 3.898 ( -3.510 -1.463 -8.120) 8.966 4.296 ( 1.988 7.322 -1.321) 7.701 4.649 ( 1.724 1.988 3.597) 4.457 4.981 ( 3.748 -6.182 -2.555) 7.668 5.609 ( 6.102 1.702 -1.477) 6.505 5.817 ( 3.502 -1.181 5.570) 6.685 6.395 ( -2.244 0.899 9.714) 10.010 6.708 ( 3.082 -5.880 1.697) 6.853 7.032 ( -7.457 3.146 5.305) 9.677 7.523 ( 12.489 1.429 -8.201) 15.009 7.899 ( -13.133 1.146 -2.345) 13.390 8.256 ( 3.337 -0.934 0.194) 3.471 9.048 ( 5.473 -3.274 3.492) 7.271 9.576 ( 0.861 0.867 -2.191) 2.508 9.807 ( 0.614 -4.444 -5.450) 7.059 10.180 ( 1.062 3.973 -9.001) 9.896 10.539 ( 8.541 -5.236 8.149) 12.914 11.117 ( -5.189 1.037 2.965) 6.065 11.374 ( -11.640 0.117 -6.555) 13.359 11.764 ( 9.765 0.134 8.302) 12.818 12.116 ( 1.551 -0.880 1.094) 2.092 12.216 ( 0.306 0.983 2.603) 2.799 14.954 ( -3.366 3.860 -3.104) 5.988 15.369 ( -5.750 2.209 1.094) 6.256 17.441 ( 0.885 -2.910 -1.520) 3.400 17.987 ( -0.517 -0.041 0.850) 0.996 18.278 ( 4.166 -1.483 1.047) 4.544 18.401 ( 0.635 1.792 2.167) 2.883 19.027 ( 10.334 -0.984 -0.916) 10.421 19.184 ( 8.605 -2.981 0.020) 9.107 22.560 ( -0.389 -0.776 -2.469) 2.617 22.967 ( 1.353 -4.038 6.134) 7.467 28.767 ( 0.759 -1.306 -7.392) 7.545 29.084 ( -0.568 -0.848 0.370) 1.085 29.157 ( 5.845 0.544 -5.421) 7.991 29.924 ( -4.063 6.290 -5.887) 9.525 30.276 ( 0.747 -2.124 0.368) 2.281 30.519 ( -1.090 0.014 -5.137) 5.251 31.284 ( 0.034 0.859 14.136) 14.162 31.606 ( 6.133 -4.437 -1.129) 7.654 32.921 ( -5.395 6.789 5.869) 10.470 33.979 ( -0.002 -0.341 -16.475) 16.478 35.060 ( 3.081 5.227 2.154) 6.438 35.790 ( 0.238 -7.651 8.821) 11.679 46.310 ( -4.331 3.779 4.010) 7.009 46.497 ( -0.070 -0.123 -3.549) 3.551 90.736 ( 12.012 -3.420 -1.682) 12.602 91.156 ( 12.853 -0.563 3.272) 13.275 91.375 ( -9.843 3.597 -5.413) 11.795 92.412 ( 8.715 10.088 6.009) 14.623 ======================= Grid point 274 (132/196) ======================= q-point: (-0.40 -0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.356 ( -1.639 -0.000 -1.986) 2.575 3.376 ( -5.086 -0.000 9.863) 11.098 3.623 ( 0.085 0.000 -7.786) 7.786 4.442 ( 12.207 0.000 2.356) 12.432 4.515 ( -6.094 -0.000 -1.418) 6.257 4.657 ( -2.666 -0.000 -16.368) 16.583 4.794 ( -12.509 -0.000 7.024) 14.346 5.018 ( -3.301 -0.000 0.476) 3.335 5.226 ( 2.698 0.000 -0.704) 2.789 6.003 ( -9.993 -0.000 7.447) 12.463 6.021 ( 12.750 0.000 4.135) 13.404 6.578 ( 2.530 0.000 -17.281) 17.465 7.089 ( 2.477 0.000 17.370) 17.546 7.117 ( 3.345 0.000 -3.274) 4.681 8.120 ( -4.695 -0.000 -2.542) 5.339 8.284 ( -9.798 -0.000 7.587) 12.392 9.257 ( -1.075 -0.000 -15.805) 15.842 9.354 ( 4.814 0.000 -1.418) 5.018 9.654 ( 1.088 0.000 8.081) 8.154 10.055 ( 5.431 0.000 12.115) 13.276 10.332 ( 3.942 0.000 -8.555) 9.420 11.077 ( 19.003 0.000 -3.887) 19.397 11.318 ( -4.757 -0.000 7.903) 9.224 11.705 ( -0.810 -0.000 -3.021) 3.128 12.112 ( 3.360 0.000 -0.479) 3.394 12.255 ( -4.139 -0.000 -11.445) 12.170 15.514 ( -13.805 -0.000 1.451) 13.881 15.590 ( -9.333 -0.000 0.436) 9.343 17.450 ( -7.108 -0.000 5.617) 9.059 17.839 ( -2.697 -0.000 2.563) 3.720 18.286 ( 4.788 0.000 -2.237) 5.285 18.327 ( 6.566 0.000 -2.008) 6.866 18.469 ( 16.138 0.000 -3.942) 16.613 18.539 ( 20.192 0.000 3.434) 20.482 22.649 ( -2.722 -0.000 -3.582) 4.499 22.674 ( 0.860 0.000 2.796) 2.925 28.902 ( -3.200 -0.000 -4.126) 5.222 29.021 ( 2.129 0.000 1.015) 2.359 29.172 ( -2.867 -0.000 -8.573) 9.040 29.386 ( 17.317 0.000 19.311) 25.938 30.346 ( -4.889 -0.000 -0.551) 4.920 30.717 ( -2.720 -0.000 -8.303) 8.737 31.076 ( 1.671 0.000 15.224) 15.315 31.548 ( 6.255 0.000 -14.874) 16.136 33.564 ( -3.996 -0.000 -0.766) 4.068 34.044 ( 2.022 0.000 -9.283) 9.501 35.206 ( -2.090 -0.000 -0.898) 2.275 35.221 ( 2.184 0.000 11.408) 11.615 46.507 ( -3.474 -0.000 6.454) 7.329 46.676 ( -3.883 -0.000 -5.290) 6.562 90.321 ( 9.550 0.000 -0.892) 9.591 90.622 ( 15.909 0.000 1.081) 15.946 91.921 ( -8.521 -0.000 -9.514) 12.772 92.200 ( 11.436 0.000 10.951) 15.834 ======================= Grid point 275 (133/196) ======================= q-point: (-0.30 -0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.195 ( -7.402 7.014 -6.991) 12.364 3.312 ( -12.185 1.302 7.610) 14.424 3.628 ( 2.072 -5.650 -8.311) 10.261 4.261 ( -10.012 12.868 -7.496) 17.945 4.459 ( -13.348 8.294 0.815) 15.736 4.545 ( -6.856 -0.585 -0.701) 6.916 4.639 ( 5.223 0.452 -5.616) 7.683 5.006 ( -1.546 1.525 2.062) 2.995 5.326 ( 4.482 -3.389 4.126) 6.971 5.876 ( -3.861 6.243 6.271) 9.655 6.205 ( -2.040 -6.280 8.342) 10.639 6.476 ( 0.844 -5.729 -20.127) 20.944 7.197 ( 6.737 6.175 11.899) 15.003 7.309 ( 10.926 -3.011 3.902) 11.986 8.051 ( -4.291 -1.261 -1.236) 4.640 8.187 ( -9.688 -1.467 7.206) 12.163 9.121 ( 2.941 5.115 -13.239) 14.494 9.413 ( 0.908 -4.882 -3.021) 5.812 9.754 ( 4.063 -0.421 4.941) 6.411 10.216 ( 6.144 0.314 8.873) 10.797 10.337 ( 4.678 0.281 -8.416) 9.633 11.159 ( -1.160 -0.453 -3.209) 3.442 11.493 ( 13.844 -0.102 11.067) 17.724 11.600 ( -7.720 0.262 -8.688) 11.625 12.123 ( 0.031 1.779 -2.757) 3.282 12.184 ( 1.550 -1.771 -1.219) 2.650 15.274 ( -12.992 3.917 -0.539) 13.580 15.499 ( -5.761 -0.494 2.009) 6.121 17.402 ( -3.887 -0.213 3.727) 5.389 17.860 ( -0.365 -2.726 3.766) 4.663 18.301 ( 3.424 3.348 -1.700) 5.081 18.398 ( 4.403 0.276 -1.184) 4.568 18.713 ( 14.140 -4.415 -2.895) 15.093 18.873 ( 19.968 -0.429 2.113) 20.084 22.583 ( -1.947 0.194 -3.356) 3.885 22.743 ( 2.736 -2.536 4.123) 5.560 28.809 ( -2.994 -0.286 -7.088) 7.699 29.049 ( 1.333 0.048 0.282) 1.363 29.127 ( 2.819 -0.693 -6.187) 6.834 29.783 ( 16.618 -1.437 14.538) 22.126 30.258 ( -5.849 -0.194 -0.815) 5.909 30.614 ( -2.778 0.100 -7.936) 8.409 31.212 ( 0.918 0.647 16.392) 16.431 31.542 ( 7.331 0.118 -14.623) 16.359 33.417 ( -6.509 9.068 -0.816) 11.192 34.003 ( -1.744 -3.533 -9.424) 10.214 35.165 ( 1.197 2.744 -0.748) 3.085 35.391 ( 3.232 -5.248 11.780) 13.295 46.473 ( -5.513 1.671 5.951) 8.282 46.574 ( -3.782 0.393 -5.150) 6.402 90.486 ( 12.413 -0.478 -0.826) 12.450 90.887 ( 17.252 -0.164 1.897) 17.357 91.703 ( -9.677 1.786 -9.321) 13.554 92.455 ( 13.748 3.038 10.869) 17.787 ======================= Grid point 276 (134/196) ======================= q-point: (-0.20 -0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.877 ( -14.969 4.113 -12.594) 19.990 3.075 ( -19.474 6.466 3.922) 20.891 3.666 ( -1.255 -5.185 -4.900) 7.243 3.882 ( -8.153 11.274 -5.678) 15.027 4.073 ( -16.580 12.711 -0.197) 20.893 4.434 ( -10.711 4.836 -1.454) 11.841 4.674 ( 5.832 -1.597 4.011) 7.256 4.952 ( -1.367 3.028 -0.734) 3.403 5.523 ( 8.754 -8.042 -2.455) 12.138 5.817 ( 0.724 4.179 1.860) 4.632 6.248 ( -12.265 -9.444 7.877) 17.368 6.509 ( 3.838 -10.390 -10.906) 15.544 7.218 ( -5.898 10.199 17.732) 21.289 7.531 ( 12.496 -0.886 -1.406) 12.606 7.951 ( -7.757 1.831 -1.245) 8.067 8.205 ( 4.269 -2.757 1.530) 5.307 9.055 ( 5.860 3.656 -5.416) 8.777 9.468 ( -0.113 -6.453 -3.053) 7.140 9.824 ( 2.757 2.286 1.419) 3.852 10.287 ( 4.778 4.144 -10.502) 12.259 10.422 ( 7.379 -3.685 8.586) 11.906 11.121 ( -3.088 -0.636 0.492) 3.191 11.375 ( -11.279 0.072 -8.786) 14.297 11.755 ( 9.815 -0.579 7.474) 12.350 12.109 ( 1.378 0.216 -0.335) 1.435 12.239 ( 3.409 0.612 2.333) 4.176 15.058 ( -6.825 3.698 -2.681) 8.213 15.435 ( -3.894 2.650 2.924) 5.544 17.394 ( -0.611 -0.921 1.188) 1.622 17.930 ( -0.094 -3.792 3.242) 4.990 18.297 ( 2.720 2.573 -0.950) 3.863 18.432 ( 1.501 0.675 -0.014) 1.646 18.928 ( 7.660 -5.416 -1.745) 9.542 19.152 ( 14.480 -0.051 1.115) 14.523 22.545 ( 0.088 -0.312 -3.019) 3.036 22.876 ( 5.049 -2.911 6.057) 8.405 28.742 ( 0.435 -0.641 -6.538) 6.584 29.065 ( 0.156 -0.560 -0.631) 0.858 29.163 ( 6.815 0.011 -5.226) 8.588 30.038 ( 4.303 3.014 0.576) 5.286 30.210 ( 0.818 -2.825 1.422) 3.267 30.523 ( -1.425 0.183 -6.656) 6.809 31.313 ( -0.599 1.586 14.773) 14.870 31.559 ( 6.368 -0.553 -8.480) 10.619 33.165 ( -8.974 11.102 1.851) 14.395 33.927 ( -4.364 -3.579 -11.533) 12.840 35.163 ( 4.052 2.632 -1.796) 5.155 35.611 ( 4.026 -5.762 13.034) 14.809 46.393 ( -6.348 2.560 4.687) 8.296 46.490 ( -2.552 -0.359 -4.163) 4.896 90.679 ( 11.866 -1.283 -0.503) 11.946 91.149 ( 14.572 -0.083 2.366) 14.763 91.457 ( -10.603 2.505 -7.941) 13.482 92.665 ( 13.392 8.689 8.550) 18.109 ======================= Grid point 277 (135/196) ======================= q-point: (-0.10 -0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( -18.977 -1.411 -13.018) 23.056 2.675 ( -19.164 7.098 -0.106) 20.436 3.541 ( -12.572 9.932 4.488) 16.638 3.698 ( -4.271 1.312 -6.691) 8.045 3.791 ( -3.432 0.508 0.596) 3.520 4.211 ( -10.230 -0.997 -4.221) 11.112 4.791 ( 0.363 1.698 6.334) 6.568 4.965 ( 7.523 -4.040 -3.136) 9.097 5.638 ( 1.699 -1.537 -5.317) 5.790 5.881 ( 5.114 -6.588 -0.840) 8.382 6.196 ( -20.283 -10.885 8.184) 24.431 6.643 ( 4.078 -8.630 -4.582) 10.588 7.044 ( -13.435 12.004 16.671) 24.546 7.541 ( -6.873 5.710 -7.019) 11.363 7.901 ( 8.665 -0.741 -1.809) 8.882 8.337 ( 8.156 0.371 0.252) 8.168 9.125 ( 5.907 -0.887 2.510) 6.480 9.527 ( -0.245 -5.562 -1.163) 5.687 9.788 ( -1.002 4.810 -2.041) 5.320 10.202 ( 3.321 5.389 -9.964) 11.804 10.673 ( 9.695 -4.593 4.933) 11.808 11.083 ( -3.476 1.087 1.913) 4.114 11.185 ( -6.711 -0.681 -2.485) 7.189 11.890 ( 2.926 -0.212 1.833) 3.460 12.153 ( 3.551 -0.944 0.726) 3.746 12.299 ( 3.217 1.804 5.030) 6.237 14.955 ( 1.987 2.562 -4.264) 5.356 15.351 ( -4.276 4.350 3.358) 6.963 17.423 ( 2.065 -1.803 -0.985) 2.913 17.979 ( -0.139 -1.673 0.693) 1.816 18.309 ( 0.844 -0.414 0.671) 1.155 18.427 ( -1.354 0.950 1.538) 2.259 19.035 ( -1.340 -5.457 -1.672) 5.862 19.307 ( 6.716 2.315 0.797) 7.148 22.549 ( 2.293 -0.521 -2.626) 3.525 23.036 ( 5.731 -0.501 7.731) 9.637 28.746 ( 3.753 -0.719 -3.887) 5.451 29.045 ( -1.859 0.010 -3.294) 3.782 29.245 ( 9.087 0.823 -5.168) 10.487 29.882 ( -7.422 9.118 -7.468) 13.928 30.244 ( -1.293 -0.909 -5.021) 5.264 30.497 ( 2.139 -0.118 -2.331) 3.165 31.387 ( -1.683 0.906 13.552) 13.686 31.638 ( 5.752 -3.635 -0.542) 6.826 32.943 ( -8.377 5.836 5.327) 11.516 33.809 ( -3.861 -3.585 -14.395) 15.329 35.180 ( 4.819 3.441 -2.230) 6.327 35.819 ( 2.803 -2.663 12.890) 13.457 46.300 ( -5.828 2.179 3.907) 7.347 46.454 ( -0.292 -1.969 -3.504) 4.030 90.846 ( 7.403 -1.268 -0.518) 7.529 91.205 ( -10.263 0.416 -4.828) 11.350 91.355 ( 9.040 2.250 1.882) 9.504 92.722 ( 6.853 14.440 4.001) 16.477 ======================= Grid point 285 (136/196) ======================= q-point: (-0.30 -0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.955 ( -19.712 -0.000 -10.923) 22.536 3.138 ( -20.905 -0.000 8.389) 22.526 3.578 ( 4.468 0.000 -9.160) 10.191 4.044 ( -17.615 -0.000 -5.864) 18.565 4.272 ( -18.944 -0.000 2.986) 19.178 4.538 ( 3.451 0.000 3.700) 5.060 4.670 ( -7.539 -0.000 -1.083) 7.616 4.929 ( -4.085 -0.000 -3.638) 5.470 5.416 ( 7.861 0.000 -1.634) 8.029 5.986 ( 6.228 0.000 5.089) 8.043 6.023 ( -19.154 -0.000 3.620) 19.493 6.325 ( 2.362 0.000 -12.457) 12.679 7.437 ( 4.995 0.000 13.436) 14.334 7.452 ( 1.291 0.000 6.668) 6.792 7.974 ( -4.741 -0.000 0.017) 4.741 8.159 ( 4.762 0.000 2.426) 5.345 9.146 ( 9.008 0.000 -13.825) 16.501 9.354 ( -2.378 -0.000 1.275) 2.698 9.852 ( 5.407 0.000 2.579) 5.991 10.352 ( 6.350 0.000 -11.282) 12.947 10.370 ( 4.942 0.000 9.117) 10.371 11.106 ( -2.598 -0.000 -0.700) 2.690 11.377 ( -11.591 -0.000 -9.723) 15.128 11.746 ( 9.540 0.000 7.063) 11.870 12.115 ( 0.965 0.000 -0.950) 1.354 12.246 ( 5.247 0.000 1.869) 5.570 15.110 ( -9.093 -0.000 -2.586) 9.454 15.475 ( -1.673 -0.000 4.294) 4.608 17.385 ( -1.531 -0.000 2.879) 3.260 17.868 ( 0.153 0.000 3.142) 3.146 18.346 ( 1.193 0.000 -0.710) 1.388 18.439 ( 1.955 0.000 -1.358) 2.380 18.843 ( 8.474 0.000 -2.121) 8.736 19.153 ( 15.530 0.000 1.482) 15.600 22.542 ( -0.028 -0.000 -3.487) 3.487 22.836 ( 6.682 0.000 6.421) 9.267 28.734 ( 0.248 0.000 -6.184) 6.189 29.058 ( 0.458 0.000 -1.108) 1.199 29.162 ( 7.271 0.000 -5.000) 8.825 30.084 ( 13.458 0.000 5.432) 14.513 30.161 ( -6.109 -0.000 -0.205) 6.112 30.525 ( -1.361 -0.000 -7.121) 7.250 31.341 ( -0.937 -0.000 16.621) 16.647 31.551 ( 7.767 0.000 -13.506) 15.580 33.351 ( -8.467 -0.000 -3.790) 9.277 33.852 ( -6.873 -0.000 -6.662) 9.572 35.195 ( 3.554 0.000 -3.859) 5.246 35.532 ( 5.643 0.000 16.133) 17.092 46.429 ( -7.330 -0.000 5.615) 9.233 46.483 ( -3.289 -0.000 -5.053) 6.029 90.664 ( 11.794 0.000 -0.226) 11.796 91.149 ( 14.788 0.000 2.200) 14.950 91.490 ( -10.598 -0.000 -9.025) 13.920 92.787 ( 16.819 0.000 9.775) 19.453 ======================= Grid point 286 (137/196) ======================= q-point: (-0.20 -0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( -24.394 1.602 -10.437) 26.581 2.811 ( -28.209 2.332 7.322) 29.237 3.584 ( 0.414 -1.236 -4.634) 4.814 3.742 ( -15.862 1.478 -0.696) 15.946 3.994 ( -14.669 7.171 3.716) 16.745 4.313 ( -16.344 10.793 -1.493) 19.643 4.677 ( -9.468 -11.235 3.458) 15.094 4.918 ( 7.268 -0.443 -3.242) 7.971 5.524 ( 6.861 -4.024 -8.459) 11.612 5.723 ( -23.512 -5.023 2.266) 24.149 6.105 ( 3.737 4.072 3.909) 6.770 6.378 ( 5.331 -10.365 -6.838) 13.513 7.336 ( -11.732 8.640 10.902) 18.197 7.602 ( 0.839 -0.920 4.412) 4.585 7.901 ( -2.186 0.473 -0.291) 2.256 8.313 ( 9.516 -1.404 0.759) 9.649 9.183 ( 9.360 3.894 -6.542) 12.066 9.383 ( -0.275 -4.580 2.474) 5.213 9.918 ( 2.838 3.859 0.486) 4.815 10.346 ( 8.223 5.133 -11.202) 14.814 10.537 ( 6.955 -5.436 6.572) 11.005 11.082 ( -1.336 -0.818 0.665) 1.702 11.162 ( -8.061 -0.578 -6.353) 10.280 11.874 ( 2.624 -0.639 2.618) 3.761 12.139 ( 2.488 -0.148 0.055) 2.493 12.335 ( 4.205 0.826 3.216) 5.358 15.003 ( -0.391 0.992 -3.735) 3.884 15.468 ( -2.029 3.423 5.145) 6.504 17.399 ( 0.952 -0.314 1.588) 1.878 17.905 ( -0.230 -2.738 1.902) 3.342 18.336 ( -0.174 1.598 -0.424) 1.663 18.438 ( -0.891 -0.055 -0.827) 1.217 18.911 ( -1.063 -3.193 -1.096) 3.539 19.349 ( 10.037 0.868 0.449) 10.085 22.538 ( 2.374 -0.279 -2.993) 3.830 23.028 ( 10.580 -0.179 8.970) 13.872 28.733 ( 3.862 -0.282 -3.147) 4.990 29.045 ( -0.440 0.002 -2.957) 2.990 29.259 ( 10.342 0.245 -5.103) 11.535 30.051 ( -4.822 3.906 -1.268) 6.334 30.215 ( 3.653 -1.277 -12.439) 13.027 30.494 ( 1.975 -0.083 -0.997) 2.214 31.416 ( -3.068 1.303 14.793) 15.164 31.590 ( 6.875 -0.974 -7.071) 9.910 33.126 ( -11.526 6.282 -2.165) 13.304 33.704 ( -8.987 -3.707 -7.926) 12.543 35.228 ( 5.391 0.752 -4.190) 6.869 35.770 ( 7.741 -1.094 17.730) 19.377 46.343 ( -7.783 1.047 4.687) 9.145 46.414 ( -2.018 -1.005 -4.260) 4.819 90.827 ( 9.234 -0.300 0.510) 9.253 91.208 ( -11.652 -0.027 -4.860) 12.625 91.401 ( 10.382 1.021 -0.675) 10.454 93.049 ( 15.803 8.455 4.447) 18.466 ======================= Grid point 287 (138/196) ======================= q-point: (-0.10 -0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( -24.187 -1.071 -1.639) 24.266 2.401 ( -25.905 0.565 5.332) 26.454 3.484 ( -12.589 5.920 5.323) 14.895 3.548 ( -9.252 -2.300 -2.234) 9.792 3.762 ( -8.184 3.268 4.040) 9.695 3.996 ( -12.430 -0.208 -3.374) 12.882 4.609 ( -15.555 -11.723 -2.747) 19.671 5.061 ( 3.186 -5.103 -1.427) 6.183 5.519 ( -23.151 -12.769 10.117) 28.309 5.572 ( 1.886 -3.434 -10.821) 11.508 6.100 ( 4.678 4.625 -1.940) 6.858 6.575 ( 6.825 -9.597 -3.398) 12.257 7.101 ( -11.956 9.689 8.094) 17.388 7.478 ( -7.919 8.266 -3.579) 11.993 7.968 ( 5.959 -3.921 -0.099) 7.134 8.450 ( 4.801 -1.461 1.469) 5.229 9.211 ( 2.250 1.698 -2.747) 3.936 9.480 ( 1.946 -4.657 5.927) 7.785 9.808 ( -6.185 7.177 -2.702) 9.852 10.306 ( 7.883 9.621 -7.572) 14.562 10.752 ( 4.144 -2.853 1.999) 5.414 11.034 ( -3.160 0.564 -1.032) 3.371 11.194 ( 10.275 -4.469 2.970) 11.592 11.902 ( -0.400 -1.272 -0.543) 1.440 12.199 ( 4.084 -1.727 0.302) 4.444 12.389 ( 2.274 1.256 2.074) 3.325 15.025 ( 8.681 1.048 -4.315) 9.750 15.387 ( -5.044 6.566 4.825) 9.584 17.446 ( 3.590 -0.755 0.364) 3.687 17.948 ( -0.238 -3.059 -0.087) 3.069 18.306 ( -1.640 0.435 0.500) 1.769 18.405 ( -3.423 -0.111 0.613) 3.479 18.868 ( -10.072 -4.572 -1.151) 11.121 19.422 ( 3.139 3.874 -0.923) 5.071 22.572 ( 3.985 -0.427 -2.322) 4.632 23.254 ( 11.643 3.992 10.605) 16.247 28.800 ( 5.700 -0.054 -0.233) 5.705 28.982 ( -3.050 1.649 -7.324) 8.103 29.363 ( 9.218 2.680 -7.185) 11.991 29.825 ( -7.251 9.249 -12.361) 17.056 30.134 ( -4.208 -2.773 -5.743) 7.641 30.533 ( 3.492 0.458 -1.508) 3.831 31.444 ( -5.281 0.730 12.617) 13.697 31.678 ( 5.677 -2.695 -0.827) 6.338 32.880 ( -11.926 2.927 3.091) 12.663 33.570 ( -6.637 -6.059 -12.202) 15.154 35.267 ( 5.771 2.211 -3.492) 7.098 36.008 ( 7.234 3.363 16.579) 18.398 46.251 ( -6.953 0.709 4.121) 8.113 46.393 ( 0.114 -2.880 -3.756) 4.734 90.880 ( -6.463 2.601 -2.167) 7.296 91.046 ( -1.289 -3.601 -0.909) 3.931 91.512 ( 5.957 3.398 0.049) 6.858 93.030 ( 4.105 20.160 -4.899) 21.148 ======================= Grid point 296 (139/196) ======================= q-point: (-0.20 -0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( -25.788 -0.000 -1.492) 25.832 2.425 ( -34.279 -0.000 12.538) 36.500 3.508 ( -16.467 -0.000 4.283) 17.015 3.537 ( -6.251 -0.000 1.396) 6.405 3.849 ( -13.270 -0.000 3.774) 13.796 4.153 ( -18.148 -0.000 -1.395) 18.202 4.288 ( -19.923 -0.000 -4.729) 20.476 4.971 ( -13.162 -0.000 -2.678) 13.432 5.363 ( -9.257 -0.000 10.587) 14.063 5.511 ( 5.648 0.000 -13.781) 14.893 6.277 ( 3.318 0.000 -7.382) 8.094 6.342 ( 11.242 0.000 0.869) 11.275 7.234 ( -12.154 -0.000 1.102) 12.204 7.599 ( -8.150 -0.000 3.369) 8.819 7.911 ( 4.178 0.000 0.824) 4.259 8.409 ( 3.749 0.000 2.133) 4.313 9.250 ( 2.412 0.000 -9.314) 9.621 9.415 ( 1.844 0.000 10.854) 11.009 9.916 ( -6.034 -0.000 -4.299) 7.408 10.553 ( -2.405 -0.000 7.312) 7.698 10.628 ( 29.002 0.000 -11.428) 31.172 11.056 ( 0.453 0.000 -1.114) 1.202 11.074 ( -0.061 -0.000 1.685) 1.686 11.873 ( -2.779 -0.000 -0.159) 2.784 12.179 ( 2.843 0.000 0.267) 2.855 12.410 ( 2.659 0.000 1.431) 3.020 15.037 ( 7.960 0.000 -3.869) 8.850 15.494 ( -3.883 -0.000 5.268) 6.544 17.440 ( 2.967 0.000 2.376) 3.801 17.888 ( -0.345 -0.000 0.252) 0.427 18.330 ( -1.796 -0.000 0.106) 1.799 18.394 ( -3.707 -0.000 -1.040) 3.851 18.804 ( -9.515 -0.000 -0.470) 9.526 19.474 ( 5.990 0.000 -1.683) 6.222 22.566 ( 4.146 0.000 -2.314) 4.748 23.311 ( 16.270 0.000 12.089) 20.270 28.798 ( 5.932 0.000 0.327) 5.941 29.003 ( -1.281 -0.000 -6.210) 6.341 29.396 ( 12.603 0.000 -5.691) 13.829 30.028 ( -3.898 -0.000 4.484) 5.941 30.028 ( -5.689 -0.000 -31.640) 32.148 30.540 ( 3.421 0.000 -0.427) 3.448 31.456 ( -6.856 -0.000 13.940) 15.534 31.646 ( 6.894 0.000 -3.990) 7.966 32.944 ( -13.994 -0.000 -4.090) 14.580 33.470 ( -11.739 -0.000 -5.447) 12.941 35.296 ( 6.913 0.000 -3.760) 7.870 36.056 ( 12.068 0.000 19.346) 22.802 46.261 ( -8.197 -0.000 4.575) 9.387 46.353 ( -0.796 -0.000 -4.159) 4.234 90.955 ( 6.774 0.000 1.593) 6.958 90.959 ( -15.150 -0.000 -4.636) 15.844 91.553 ( 8.326 0.000 -0.721) 8.357 93.345 ( 14.235 0.000 -8.163) 16.409 ======================= Grid point 297 (140/196) ======================= q-point: (-0.10 -0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( -23.260 0.172 16.019) 28.243 2.013 ( -32.653 -3.136 14.413) 35.830 3.334 ( -20.044 -0.230 7.329) 21.343 3.372 ( -14.993 -1.683 9.411) 17.781 3.677 ( -12.513 3.527 4.433) 13.736 3.812 ( -12.128 2.832 -2.621) 12.727 4.082 ( -21.687 -15.328 -5.285) 27.078 4.601 ( -30.845 -11.746 -2.638) 33.111 5.482 ( 7.813 1.045 -7.554) 10.918 5.538 ( 8.497 -1.879 0.208) 8.704 6.227 ( 5.213 6.115 -5.948) 9.997 6.558 ( 8.230 -7.875 -2.144) 11.591 7.042 ( -8.811 3.513 -2.247) 9.748 7.415 ( -11.099 4.883 -1.132) 12.179 8.004 ( 4.922 -2.608 -0.742) 5.620 8.484 ( 1.678 -1.751 4.189) 4.840 9.136 ( -8.137 0.267 -8.775) 11.970 9.560 ( 3.315 -1.461 12.762) 13.267 9.734 ( -7.514 3.687 -4.860) 9.678 10.474 ( -4.012 7.290 2.222) 8.613 10.802 ( 4.363 3.496 -7.157) 9.081 11.044 ( -0.128 4.253 2.884) 5.140 11.395 ( 26.018 -7.125 2.958) 27.137 11.835 ( -1.584 -4.940 -2.160) 5.620 12.238 ( 4.104 -1.826 0.331) 4.505 12.437 ( 1.799 1.289 -0.867) 2.377 15.178 ( 14.430 0.229 -4.183) 15.026 15.403 ( -8.255 5.216 3.926) 10.524 17.523 ( 5.882 0.243 2.649) 6.456 17.904 ( 0.540 -2.789 -1.404) 3.169 18.281 ( -4.207 1.233 0.900) 4.476 18.329 ( -5.663 -1.654 0.477) 5.918 18.632 ( -13.615 -1.826 -0.877) 13.765 19.471 ( -1.151 4.102 -6.061) 7.409 22.624 ( 4.963 -0.111 -1.207) 5.109 23.636 ( 18.060 7.218 11.236) 22.461 28.864 ( -7.669 3.690 -16.751) 18.789 28.897 ( 5.464 0.261 2.145) 5.875 29.443 ( -4.520 9.497 -15.467) 18.704 29.650 ( -1.454 -4.579 -16.957) 17.624 30.046 ( -1.653 -1.757 6.535) 6.966 30.579 ( 3.589 0.312 -2.095) 4.168 31.421 ( -10.028 -0.051 11.185) 15.022 31.724 ( 4.728 -1.228 -1.908) 5.244 32.711 ( -13.626 -0.614 1.075) 13.682 33.295 ( -8.969 -5.821 -8.213) 13.483 35.374 ( 7.643 1.921 -1.900) 8.106 36.352 ( 13.148 7.086 15.331) 21.404 46.177 ( -7.124 -0.190 4.186) 8.265 46.337 ( 0.721 -2.377 -3.814) 4.552 90.695 ( -14.512 0.992 -3.142) 14.881 91.066 ( 4.211 -1.902 2.331) 5.175 91.620 ( 3.664 3.424 -2.128) 5.447 93.192 ( -5.320 19.198 -28.500) 34.772 ======================= Grid point 307 (141/196) ======================= q-point: (-0.10 -0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( -36.364 -0.000 22.622) 42.827 1.652 ( -18.195 -0.000 31.592) 36.457 3.035 ( -45.752 -0.000 27.364) 53.311 3.055 ( -28.563 -0.000 12.324) 31.108 3.486 ( -12.270 -0.000 -5.077) 13.279 3.590 ( -8.245 -0.000 2.743) 8.689 3.868 ( 1.812 0.000 -2.148) 2.810 4.086 ( -15.930 -0.000 -13.503) 20.883 5.522 ( 11.516 0.000 -15.718) 19.485 5.720 ( 8.934 0.000 7.477) 11.650 6.289 ( 3.469 0.000 -6.849) 7.677 6.593 ( 7.118 0.000 -4.779) 8.574 6.936 ( -3.743 -0.000 -3.983) 5.465 7.243 ( -12.980 -0.000 -2.910) 13.302 8.041 ( 3.900 0.000 -1.760) 4.279 8.545 ( 2.149 0.000 6.545) 6.888 8.862 ( -18.636 -0.000 -8.524) 20.493 9.658 ( -0.312 -0.000 -1.461) 1.494 9.697 ( 1.542 0.000 13.916) 14.001 10.386 ( -13.896 -0.000 3.154) 14.249 10.805 ( 0.764 0.000 -7.875) 7.912 11.086 ( -2.899 -0.000 2.056) 3.554 11.725 ( -2.738 -0.000 -0.665) 2.818 11.873 ( 33.251 0.000 0.055) 33.251 12.296 ( 6.565 0.000 -0.195) 6.568 12.462 ( 1.592 0.000 -2.192) 2.709 15.302 ( -12.548 -0.000 2.226) 12.744 15.384 ( 16.345 0.000 -4.816) 17.039 17.667 ( 9.328 0.000 3.970) 10.137 17.887 ( 2.374 0.000 -3.291) 4.058 18.158 ( -13.476 -0.000 2.547) 13.715 18.266 ( -2.717 -0.000 1.472) 3.090 18.442 ( -8.576 -0.000 -1.325) 8.678 19.324 ( -15.307 -0.000 -16.399) 22.433 22.698 ( 5.340 0.000 0.481) 5.362 24.018 ( 13.561 0.000 -4.661) 14.340 28.484 ( -23.669 -0.000 -21.216) 31.786 28.983 ( 3.224 0.000 2.070) 3.831 29.173 ( -11.342 -0.000 -5.641) 12.668 29.669 ( 8.865 0.000 -4.128) 9.779 30.110 ( 2.555 0.000 9.157) 9.507 30.615 ( 3.254 0.000 -2.446) 4.070 31.313 ( -13.697 -0.000 8.988) 16.383 31.746 ( 1.877 0.000 -4.383) 4.768 32.528 ( -10.479 -0.000 3.770) 11.137 33.071 ( -7.792 -0.000 -5.721) 9.667 35.509 ( 8.570 0.000 1.187) 8.652 36.712 ( 14.023 0.000 2.881) 14.315 46.104 ( -6.067 -0.000 4.084) 7.313 46.306 ( 1.196 0.000 -3.528) 3.725 90.478 ( -11.722 -0.000 -2.393) 11.964 91.123 ( 2.174 0.000 2.747) 3.504 91.674 ( 2.647 0.000 -3.670) 4.525 92.684 ( -42.727 -0.000 -58.360) 72.329 ======================= Grid point 308 (142/196) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 2.261 0.000 16.690) 16.843 1.906 ( -7.229 -0.000 7.170) 10.182 2.902 ( -4.807 -0.000 12.888) 13.755 2.997 ( -22.121 -0.000 12.960) 25.638 3.374 ( 1.512 0.000 6.725) 6.893 3.452 ( -2.603 -0.000 -1.520) 3.014 3.704 ( 12.267 0.000 0.667) 12.285 3.975 ( 10.443 0.000 -12.450) 16.250 5.548 ( 9.416 0.000 -1.687) 9.566 5.687 ( -0.325 -0.000 -12.993) 12.998 6.277 ( -8.085 -0.000 2.558) 8.480 6.403 ( 5.952 0.000 -9.349) 11.083 6.808 ( -9.046 -0.000 -0.171) 9.047 6.817 ( 5.202 0.000 -1.234) 5.346 8.200 ( 6.864 0.000 2.594) 7.338 8.274 ( -4.185 -0.000 -3.957) 5.759 9.458 ( 19.036 0.000 16.548) 25.223 9.743 ( -20.237 -0.000 -9.048) 22.168 9.941 ( -12.179 -0.000 6.940) 14.018 10.053 ( 19.955 0.000 -2.006) 20.056 10.711 ( 4.083 0.000 0.536) 4.118 10.784 ( -6.352 -0.000 -5.766) 8.579 11.981 ( 2.151 0.000 9.303) 9.548 12.178 ( -4.090 -0.000 -8.791) 9.696 12.311 ( 0.321 0.000 1.976) 2.002 12.366 ( -1.009 -0.000 -3.046) 3.208 15.258 ( -4.280 -0.000 9.523) 10.441 15.460 ( 3.599 0.000 -9.161) 9.842 17.882 ( -16.254 -0.000 1.644) 16.337 17.929 ( 6.779 0.000 -2.210) 7.130 17.998 ( 2.751 0.000 4.482) 5.259 18.100 ( 1.818 0.000 -4.590) 4.937 18.278 ( -0.445 -0.000 1.501) 1.566 18.303 ( 0.509 0.000 -0.863) 1.002 23.017 ( 8.692 0.000 6.255) 10.709 23.153 ( -14.492 -0.000 -6.356) 15.825 29.026 ( -0.183 0.000 0.077) 0.199 29.026 ( 0.177 0.000 0.062) 0.188 29.453 ( 32.062 0.000 5.868) 32.594 29.577 ( -15.966 -0.000 -5.682) 16.947 30.466 ( 0.678 0.000 5.534) 5.575 30.569 ( 0.947 0.000 -4.259) 4.363 31.210 ( -7.642 -0.000 10.507) 12.992 31.454 ( 6.388 0.000 -12.065) 13.652 32.626 ( -0.611 -0.000 6.674) 6.702 32.769 ( 2.373 0.000 -6.786) 7.189 36.024 ( 10.770 0.000 10.097) 14.762 36.230 ( -17.804 -0.000 -9.105) 19.997 46.131 ( -3.126 -0.000 4.752) 5.688 46.229 ( 3.010 0.000 -4.373) 5.309 90.312 ( 8.737 0.000 -0.218) 8.739 90.314 ( -14.463 -0.000 -0.439) 14.469 91.370 ( -1.586 -0.000 6.884) 7.065 91.518 ( 0.958 0.000 -6.793) 6.860 ======================= Grid point 309 (143/196) ======================= q-point: ( 0.10 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( 11.489 -0.811 7.313) 13.643 2.335 ( 28.344 -24.646 3.696) 37.742 2.766 ( -7.114 8.239 22.268) 24.786 3.080 ( 2.600 -6.322 8.501) 10.908 3.366 ( -1.407 0.726 3.049) 3.436 3.558 ( -0.182 -8.129 -1.087) 8.204 3.871 ( 9.137 -1.900 -4.003) 10.154 4.124 ( 17.063 -12.721 -15.823) 26.521 5.559 ( 1.022 4.760 -11.964) 12.917 5.642 ( 10.100 6.716 -4.126) 12.812 6.215 ( -8.463 -7.323 7.896) 13.696 6.469 ( 4.464 -4.815 -5.573) 8.612 6.693 ( -8.084 -1.072 1.361) 8.268 6.931 ( 7.373 -2.337 1.773) 7.935 8.203 ( -0.662 0.380 -5.724) 5.774 8.350 ( 10.188 -0.101 2.565) 10.506 9.367 ( -18.042 1.424 -7.767) 19.694 9.739 ( -1.645 5.468 5.353) 7.827 9.856 ( 4.339 -3.458 4.884) 7.392 10.307 ( 20.272 6.566 -7.400) 22.557 10.671 ( -3.659 -0.469 -1.431) 3.957 10.811 ( 7.516 -0.110 3.008) 8.096 11.927 ( -12.267 6.119 1.686) 13.812 12.005 ( -8.245 1.260 0.801) 8.379 12.312 ( -1.580 1.726 0.085) 2.341 12.326 ( -0.795 0.512 0.861) 1.279 15.233 ( -9.772 -0.939 8.543) 13.014 15.424 ( -0.184 -1.297 -7.276) 7.393 17.698 ( -7.267 0.313 4.282) 8.441 17.896 ( -3.756 -1.709 -0.064) 4.127 18.169 ( 9.616 2.707 -1.681) 10.130 18.253 ( 4.262 -1.301 1.967) 4.871 18.304 ( 9.345 1.115 -1.486) 9.528 18.422 ( 18.360 -4.085 1.324) 18.856 22.924 ( -10.542 1.188 -3.014) 11.029 23.193 ( 8.005 2.276 9.879) 12.917 29.004 ( -1.975 1.797 -2.598) 3.725 29.038 ( 1.262 -0.020 1.344) 1.844 29.227 ( -17.050 -0.726 -12.918) 21.404 29.784 ( 12.774 2.286 -4.598) 13.767 30.491 ( -1.864 0.666 3.388) 3.924 30.553 ( 0.545 -1.230 -5.280) 5.449 31.235 ( -1.622 -0.140 12.648) 12.752 31.533 ( 16.416 2.526 -11.166) 20.014 32.701 ( 2.522 -1.192 5.507) 6.173 32.855 ( 9.563 -9.399 -9.386) 16.367 35.833 ( -21.915 6.665 -1.203) 22.937 36.207 ( 5.476 3.773 11.211) 13.035 46.139 ( -2.215 -2.103 4.668) 5.579 46.261 ( 3.806 -1.840 -4.410) 6.109 90.283 ( 7.952 0.362 -0.130) 7.961 90.563 ( 22.687 2.004 5.196) 23.361 91.411 ( -2.574 -2.171 5.641) 6.570 91.512 ( 1.893 -4.609 -4.590) 6.774 ======================= Grid point 310 (144/196) ======================= q-point: ( 0.20 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( 8.744 -2.051 2.347) 9.283 2.809 ( 9.920 -3.870 1.787) 10.797 3.087 ( 13.984 -3.292 4.345) 15.009 3.323 ( 8.263 -12.017 12.925) 19.487 3.411 ( 11.786 -3.682 -5.716) 13.607 3.605 ( -2.206 -10.539 2.330) 11.017 3.987 ( 8.862 -5.159 -7.701) 12.824 4.573 ( 19.432 -21.070 -5.593) 29.204 5.428 ( 0.694 4.441 -10.165) 11.114 5.651 ( 12.151 10.427 -4.095) 16.527 6.336 ( -3.252 -10.843 11.804) 16.355 6.557 ( 4.350 -3.960 -2.603) 6.433 6.609 ( -6.046 -2.684 -1.021) 6.693 7.102 ( 8.472 -2.698 1.593) 9.033 8.158 ( 0.544 0.036 -5.307) 5.335 8.500 ( 3.874 0.998 3.858) 5.558 9.118 ( -3.666 1.665 -4.510) 6.046 9.574 ( -8.289 3.711 -1.746) 9.248 10.000 ( 3.211 -1.199 0.643) 3.488 10.290 ( 3.837 13.955 -6.122) 15.714 10.705 ( 4.316 -0.512 1.391) 4.563 10.978 ( 10.437 -0.472 1.892) 10.617 11.712 ( -7.705 2.862 3.395) 8.893 11.813 ( -14.579 1.771 0.819) 14.709 12.260 ( -1.555 2.517 0.834) 3.074 12.306 ( -2.510 1.180 1.949) 3.390 15.117 ( -12.978 -0.336 6.023) 14.312 15.396 ( -0.577 -1.289 -3.705) 3.965 17.646 ( -1.847 3.440 1.549) 4.201 17.897 ( 0.666 -2.632 -1.185) 2.962 18.242 ( 2.624 -0.367 1.724) 3.161 18.281 ( 2.582 0.951 1.409) 3.091 18.490 ( 16.510 -0.956 -4.254) 17.076 18.831 ( 21.524 -2.436 4.941) 22.218 22.753 ( -7.881 1.399 -1.908) 8.229 23.311 ( 3.334 6.003 11.440) 13.342 28.807 ( -6.288 1.751 -15.769) 17.067 29.054 ( -1.121 0.170 -2.279) 2.546 29.094 ( 0.641 -2.040 1.748) 2.762 29.784 ( -2.741 -0.834 -7.574) 8.097 30.451 ( -2.616 1.547 0.194) 3.046 30.523 ( -1.810 -0.821 -4.414) 4.841 31.325 ( -0.127 -0.459 13.576) 13.584 31.662 ( 16.710 6.639 -8.252) 19.784 32.806 ( 3.089 -1.959 6.254) 7.246 33.115 ( 15.645 -12.904 -14.551) 24.960 35.437 ( -19.379 7.116 4.410) 21.110 36.254 ( 0.495 7.237 9.095) 11.634 46.182 ( -1.813 -3.820 4.510) 6.182 46.319 ( 4.387 -2.317 -4.225) 6.517 90.454 ( 16.028 1.857 -2.712) 16.361 90.928 ( 23.242 7.037 9.047) 25.915 91.386 ( -5.009 -1.819 -1.534) 5.545 91.692 ( 8.426 -9.784 6.113) 14.286 ======================= Grid point 311 (145/196) ======================= q-point: ( 0.30 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( 3.164 -3.003 1.006) 4.477 2.913 ( 3.574 0.170 -26.068) 26.312 3.132 ( 5.713 3.770 9.272) 11.525 3.478 ( -0.180 -6.516 3.660) 7.476 3.710 ( 5.669 -10.955 3.843) 12.920 3.867 ( 12.553 -2.079 -2.395) 12.947 4.320 ( 18.361 -15.532 0.388) 24.053 4.984 ( 6.058 -11.124 2.662) 12.943 5.357 ( 2.008 -0.095 -5.350) 5.716 5.768 ( 19.037 2.462 -1.839) 19.284 6.444 ( -6.419 -3.772 11.392) 13.609 6.570 ( -5.015 -12.565 -14.313) 19.695 6.737 ( 15.247 -0.010 5.843) 16.328 7.243 ( 9.987 2.269 -2.916) 10.648 8.139 ( -1.847 -2.213 -3.015) 4.171 8.419 ( -10.736 5.980 5.214) 13.349 9.189 ( 12.552 -0.071 1.450) 12.636 9.408 ( -6.650 1.989 -1.984) 7.219 10.000 ( -1.204 -0.520 -5.258) 5.419 10.089 ( -1.231 12.575 -3.798) 13.194 10.754 ( 1.658 2.388 2.826) 4.055 11.104 ( 4.184 -0.763 -1.383) 4.473 11.539 ( -15.080 0.974 -1.988) 15.242 11.740 ( 2.216 -1.594 7.874) 8.334 12.229 ( -0.224 2.763 3.894) 4.780 12.254 ( -3.471 0.402 0.865) 3.600 14.969 ( -10.545 0.122 3.062) 10.981 15.374 ( -1.025 0.127 -1.452) 1.782 17.568 ( -1.513 4.316 -1.226) 4.735 17.935 ( 1.415 -1.202 -0.723) 1.992 18.303 ( 3.035 -0.526 1.545) 3.446 18.336 ( 2.505 -1.133 2.133) 3.480 18.739 ( 16.461 -2.318 -2.666) 16.835 19.136 ( 13.070 0.572 3.320) 13.498 22.625 ( -5.472 1.114 -1.207) 5.713 23.300 ( -2.324 7.772 8.531) 11.772 28.660 ( 2.310 0.956 -11.782) 12.044 29.024 ( -0.143 -0.193 -3.458) 3.467 29.143 ( 1.164 0.407 2.710) 2.978 29.675 ( -9.008 -5.714 -6.164) 12.320 30.394 ( -1.677 1.405 -0.769) 2.319 30.461 ( -2.659 0.037 -4.120) 4.904 31.429 ( -0.853 -1.361 13.078) 13.176 31.738 ( 12.883 7.912 -5.670) 16.147 32.928 ( 2.431 -1.566 8.856) 9.316 33.375 ( 14.227 -10.008 -18.574) 25.447 35.168 ( -12.291 3.517 6.734) 14.449 36.189 ( -2.475 8.091 5.371) 10.022 46.239 ( -1.911 -4.350 4.045) 6.240 46.383 ( 4.394 -1.591 -3.714) 5.969 90.642 ( 15.363 3.067 -2.835) 15.920 91.172 ( 14.101 6.839 6.644) 17.022 91.306 ( -6.568 -2.056 -2.819) 7.437 92.037 ( 12.349 -6.817 10.793) 17.761 ======================= Grid point 312 (146/196) ======================= q-point: ( 0.40 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( -2.206 -0.652 -5.935) 6.365 2.702 ( 0.061 3.849 -17.440) 17.860 3.276 ( 2.095 -5.253 5.384) 7.808 3.579 ( 1.908 -3.081 2.255) 4.268 3.853 ( 3.001 -0.060 -1.133) 3.208 4.072 ( 9.765 -5.396 -2.899) 11.528 4.635 ( 5.896 -4.451 3.049) 7.992 5.102 ( 1.486 2.698 -0.902) 3.209 5.452 ( 7.434 -7.543 -0.106) 10.591 6.024 ( 8.365 -0.364 8.338) 11.816 6.485 ( -3.329 -3.496 5.724) 7.488 6.563 ( -2.389 -14.295 -14.186) 20.281 7.001 ( 10.821 2.798 5.120) 12.294 7.340 ( 18.906 4.162 -9.383) 21.513 7.991 ( -20.631 2.411 3.942) 21.143 8.285 ( -0.478 2.041 2.470) 3.239 9.310 ( -2.648 1.518 1.314) 3.323 9.397 ( 9.878 -1.293 1.363) 10.055 9.903 ( -2.595 6.893 -2.981) 7.945 9.949 ( -0.008 -0.011 -6.340) 6.340 10.755 ( 0.906 2.453 1.831) 3.193 11.127 ( -0.681 -0.850 -0.244) 1.116 11.311 ( -12.387 -0.396 -0.581) 12.407 11.853 ( 3.195 -0.735 2.502) 4.124 12.185 ( -1.852 2.065 0.413) 2.805 12.293 ( 2.424 -1.428 6.717) 7.282 14.861 ( -5.144 -0.063 0.312) 5.154 15.342 ( -1.450 0.731 -0.312) 1.654 17.491 ( -0.433 3.304 -1.760) 3.768 17.959 ( 0.839 -0.597 -0.100) 1.035 18.351 ( 2.471 0.677 0.401) 2.593 18.406 ( 1.126 -2.230 2.450) 3.499 18.974 ( 11.173 -3.003 -0.960) 11.610 19.262 ( 4.709 2.297 1.065) 5.346 22.547 ( -2.493 0.467 -0.693) 2.630 23.208 ( -3.607 5.547 4.660) 8.093 28.649 ( 5.538 1.622 -5.216) 7.779 28.999 ( -0.663 -1.248 -5.192) 5.381 29.143 ( -0.238 1.921 0.074) 1.937 29.599 ( -8.071 -7.430 -1.785) 11.114 30.356 ( -2.035 1.741 1.917) 3.294 30.398 ( -0.267 -0.462 -5.914) 5.938 31.518 ( -2.553 -2.398 11.342) 11.870 31.771 ( 9.452 7.304 -4.395) 12.728 33.040 ( 0.646 -0.167 11.787) 11.806 33.498 ( 8.198 -4.883 -19.727) 21.914 35.077 ( -4.373 -0.858 5.653) 7.198 36.081 ( -2.920 6.089 2.964) 7.375 46.287 ( -2.217 -3.591 3.345) 5.385 46.430 ( 3.633 -0.062 -3.062) 4.751 90.788 ( 11.207 2.980 -1.426) 11.684 91.205 ( -7.289 -2.638 -3.354) 8.446 91.302 ( 7.402 4.078 4.365) 9.512 92.332 ( 8.253 -3.518 8.089) 12.079 ======================= Grid point 313 (147/196) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( -3.453 1.243 -8.491) 9.250 2.597 ( -2.025 2.759 -1.834) 3.883 3.375 ( -3.124 -5.398 2.983) 6.913 3.630 ( 1.711 1.216 0.494) 2.156 3.849 ( -0.026 1.892 -0.089) 1.894 4.149 ( 0.923 1.251 -4.626) 4.881 4.795 ( 3.841 -3.936 4.185) 6.910 5.024 ( 1.539 4.709 -4.294) 6.557 5.603 ( 1.412 -1.063 -1.326) 2.210 6.134 ( 2.842 3.993 9.731) 10.896 6.446 ( -5.429 0.219 -4.103) 6.808 6.655 ( 1.538 -5.212 -5.054) 7.421 7.020 ( -4.350 -0.729 4.980) 6.652 7.435 ( -16.722 2.598 5.343) 17.746 7.810 ( 15.038 -0.633 -5.393) 15.988 8.300 ( 0.920 -0.795 -0.134) 1.223 9.297 ( 1.500 2.051 1.502) 2.951 9.497 ( 0.307 -2.464 -0.615) 2.558 9.803 ( 0.431 5.849 2.183) 6.258 9.923 ( -0.196 -3.396 -6.749) 7.558 10.760 ( 1.958 0.592 -0.835) 2.209 11.114 ( -2.867 -0.362 1.849) 3.431 11.205 ( -1.995 -0.751 1.585) 2.657 11.888 ( 0.157 -0.390 -0.021) 0.421 12.159 ( 0.491 -0.066 -0.426) 0.653 12.393 ( 2.575 -0.327 3.574) 4.418 14.830 ( 1.373 -0.648 -1.651) 2.243 15.318 ( -1.323 -0.338 0.684) 1.528 17.453 ( 1.067 1.665 -0.980) 2.207 17.972 ( 0.093 -0.343 -0.211) 0.413 18.366 ( 0.406 0.808 0.376) 0.980 18.446 ( -0.763 -0.921 1.570) 1.974 19.093 ( 0.762 0.152 -0.821) 1.131 19.271 ( -0.379 -0.447 0.392) 0.705 22.526 ( 0.526 0.026 -0.703) 0.878 23.161 ( -0.225 0.393 2.794) 2.830 28.679 ( 2.855 0.173 -2.801) 4.003 28.943 ( -3.862 -0.572 -3.322) 5.126 29.129 ( 1.437 -0.767 -2.253) 2.780 29.587 ( -2.715 -3.782 0.230) 4.661 30.302 ( -3.197 2.677 3.228) 5.273 30.395 ( 2.852 -1.675 -5.091) 6.071 31.577 ( -4.525 -3.367 8.976) 10.601 31.774 ( 6.344 5.914 -4.184) 9.630 33.115 ( -2.309 1.745 14.046) 14.341 33.471 ( 2.929 -0.691 -18.608) 18.850 35.103 ( 0.313 -2.148 1.833) 2.841 36.021 ( -1.092 1.051 2.964) 3.329 46.310 ( -2.543 -2.043 2.770) 4.280 46.444 ( 2.359 1.863 -2.569) 3.955 90.862 ( 1.478 0.779 -0.727) 1.822 91.125 ( -2.139 -0.374 -1.367) 2.566 91.365 ( 1.333 -0.410 1.333) 1.929 92.488 ( 1.769 -3.677 1.548) 4.365 ======================= Grid point 314 (148/196) ======================= q-point: (-0.40 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( -1.366 -0.254 7.114) 7.249 2.492 ( -6.519 5.028 3.536) 8.960 3.348 ( -7.665 -2.999 -0.748) 8.264 3.602 ( -0.323 5.048 -0.017) 5.058 3.828 ( -3.098 -0.775 2.256) 3.910 4.044 ( -4.086 7.046 -1.681) 8.317 4.749 ( -3.991 7.680 -6.028) 10.547 5.096 ( 5.842 -3.447 -0.624) 6.812 5.491 ( -6.654 6.041 -3.944) 9.814 6.113 ( -20.045 5.828 0.517) 20.882 6.235 ( 1.933 14.353 12.684) 19.252 6.639 ( 3.207 1.564 -6.493) 7.409 7.085 ( -12.985 -14.417 11.694) 22.654 7.121 ( -12.601 1.108 -3.876) 13.230 8.058 ( 13.903 2.849 -2.013) 14.334 8.351 ( 3.988 -5.566 -3.285) 7.595 9.281 ( 1.380 6.737 1.166) 6.975 9.499 ( -6.591 -8.200 -4.473) 11.432 9.780 ( 1.848 4.748 6.867) 8.550 9.950 ( 2.197 -6.771 -5.269) 8.856 10.779 ( 1.193 -0.649 -1.250) 1.846 11.079 ( -4.441 0.026 3.754) 5.815 11.296 ( 10.025 -0.806 1.776) 10.213 11.883 ( -1.058 -0.545 -0.834) 1.454 12.197 ( 3.189 -1.854 -0.767) 3.767 12.407 ( 0.644 2.090 -2.930) 3.656 14.896 ( 7.906 -1.346 -3.001) 8.563 15.322 ( -1.461 -1.910 1.661) 2.923 17.469 ( 2.879 -0.070 0.253) 2.890 17.965 ( -0.766 0.224 -0.629) 1.016 18.350 ( -1.377 0.893 0.476) 1.709 18.428 ( -2.841 0.472 0.449) 2.915 18.969 ( -10.940 4.018 -0.529) 11.666 19.284 ( -3.930 -4.569 -0.808) 6.081 22.548 ( 3.002 -0.170 -0.747) 3.098 23.244 ( 4.167 -5.947 1.612) 7.438 28.645 ( -6.889 -3.286 -5.312) 9.299 28.902 ( 0.214 0.926 3.194) 3.332 29.163 ( 1.633 -2.808 -2.461) 4.076 29.604 ( 3.020 1.457 -1.028) 3.507 30.255 ( -2.466 2.605 5.459) 6.532 30.437 ( 3.972 -1.812 -4.072) 5.970 31.597 ( -6.946 -4.089 6.785) 10.535 31.750 ( 3.411 4.213 -4.943) 7.336 33.116 ( -6.367 4.988 14.505) 16.608 33.352 ( -0.321 1.943 -15.973) 16.094 35.154 ( 3.432 -1.979 -1.770) 4.339 36.078 ( 1.503 -5.620 3.571) 6.826 46.303 ( -2.983 -0.383 2.619) 3.988 46.416 ( 1.259 3.713 -2.524) 4.663 90.787 ( -10.144 -1.797 -1.139) 10.364 91.146 ( 5.344 2.745 1.885) 6.297 91.374 ( -4.565 -5.449 -2.033) 7.393 92.499 ( -5.422 -5.000 -6.903) 10.102 ======================= Grid point 315 (149/196) ======================= q-point: (-0.30 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( -3.315 0.410 22.921) 23.163 2.328 ( -10.730 7.080 8.576) 15.453 3.262 ( -9.934 -7.213 -1.859) 12.416 3.499 ( -3.574 6.949 1.029) 7.882 3.792 ( -4.952 0.667 3.090) 5.875 3.843 ( -3.817 10.095 -4.183) 11.575 4.404 ( -15.084 18.220 -6.973) 24.660 5.024 ( -13.710 14.455 -0.989) 19.948 5.330 ( -2.438 2.437 -3.559) 4.955 5.657 ( -22.285 -2.254 7.525) 23.629 6.282 ( 7.990 10.221 10.673) 16.800 6.645 ( 6.332 2.013 -7.035) 9.676 6.892 ( -7.873 1.783 -5.801) 9.941 7.178 ( -8.395 -11.030 2.109) 14.021 8.105 ( 2.986 4.990 0.266) 5.821 8.490 ( 5.010 -5.672 -1.419) 7.700 9.147 ( -9.936 6.333 1.741) 11.910 9.477 ( -1.604 -6.623 -5.187) 8.564 9.851 ( 4.359 1.950 8.728) 9.949 10.091 ( 3.229 -12.887 -3.753) 13.805 10.775 ( -2.304 0.243 0.004) 2.317 11.045 ( -4.885 -1.461 3.943) 6.446 11.507 ( 13.077 -1.310 1.676) 13.249 11.863 ( 1.573 0.954 -3.633) 4.072 12.277 ( 5.011 -1.622 -1.249) 5.413 12.345 ( 0.606 2.124 -6.355) 6.728 15.050 ( 13.052 -1.771 -4.393) 13.885 15.334 ( -2.757 -2.085 2.433) 4.227 17.545 ( 5.001 -1.656 1.066) 5.374 17.937 ( -0.923 1.260 -0.882) 1.794 18.313 ( -2.244 1.008 0.417) 2.495 18.362 ( -4.637 0.861 -0.222) 4.721 18.704 ( -16.573 3.614 0.545) 16.971 19.217 ( -11.499 -4.921 -4.161) 13.182 22.611 ( 5.079 -0.581 0.052) 5.112 23.429 ( 4.441 -11.362 -2.512) 12.455 28.514 ( -10.269 -2.129 -0.059) 10.488 28.951 ( 2.108 -0.434 3.560) 4.160 29.188 ( -0.913 -1.875 -2.010) 2.896 29.628 ( 6.920 4.664 -1.231) 8.435 30.255 ( -0.421 1.610 8.299) 8.464 30.495 ( 4.584 -1.352 -3.562) 5.960 31.566 ( -10.408 -4.205 5.598) 12.544 31.697 ( 0.868 2.604 -6.664) 7.207 33.000 ( -9.451 9.336 11.870) 17.815 33.192 ( -3.008 3.437 -11.265) 12.156 35.257 ( 8.216 -3.749 -2.185) 9.291 36.240 ( 2.515 -10.997 1.366) 11.363 46.270 ( -3.774 0.900 3.131) 4.986 46.356 ( 1.074 4.869 -3.173) 5.910 90.621 ( -13.431 -1.680 -0.628) 13.550 91.202 ( 3.467 3.408 2.934) 5.678 91.344 ( -9.005 -10.691 -5.261) 14.936 92.328 ( -13.646 -2.638 -15.865) 21.092 ======================= Grid point 316 (150/196) ======================= q-point: (-0.20 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( -13.874 9.146 11.889) 20.433 2.363 ( -11.842 2.061 30.153) 32.461 3.173 ( -23.690 -8.587 8.048) 26.453 3.377 ( 1.966 3.235 -4.448) 5.841 3.547 ( -11.851 9.609 -9.273) 17.855 3.761 ( 3.144 11.285 -2.321) 11.942 3.863 ( -12.576 14.010 1.766) 18.910 4.394 ( -30.146 23.571 6.438) 38.805 5.312 ( 3.529 -1.013 -0.969) 3.797 5.641 ( -2.992 -11.610 -2.061) 12.166 6.338 ( 5.119 8.338 8.856) 13.196 6.617 ( 6.100 10.353 -10.468) 15.936 6.766 ( -1.020 -3.028 -8.155) 8.759 7.133 ( -9.117 -2.691 -1.670) 9.652 8.083 ( 0.734 2.366 1.239) 2.770 8.568 ( -3.395 -2.052 -1.902) 4.400 8.946 ( -6.762 3.217 8.399) 11.252 9.564 ( 5.892 -4.575 0.429) 7.472 9.947 ( 2.311 0.682 6.081) 6.542 10.244 ( -6.031 -13.282 -1.402) 14.655 10.700 ( -4.794 1.478 0.030) 5.016 11.018 ( -5.499 -3.164 -0.294) 6.351 11.692 ( 5.011 -2.702 2.966) 6.419 11.919 ( 14.725 1.141 -6.075) 15.970 12.305 ( 2.310 0.914 -4.476) 5.119 12.358 ( 3.717 -1.972 -2.408) 4.848 15.242 ( 12.117 -1.862 -4.896) 13.201 15.322 ( -1.771 0.364 2.562) 3.136 17.670 ( 6.950 -2.671 -0.022) 7.446 17.896 ( 0.660 2.970 -1.308) 3.312 18.239 ( -8.574 1.200 1.761) 8.835 18.295 ( -2.254 -0.006 0.186) 2.261 18.438 ( -13.162 1.287 0.591) 13.238 18.971 ( -22.855 -2.876 -8.293) 24.482 22.715 ( 6.644 -0.903 1.560) 6.884 23.553 ( -3.895 -11.905 -10.526) 16.361 28.478 ( 1.109 -0.115 12.663) 12.712 29.008 ( 1.408 -0.959 2.067) 2.679 29.145 ( -2.445 1.607 -2.246) 3.689 29.685 ( 6.050 2.354 1.457) 6.653 30.317 ( 1.687 0.719 9.020) 9.205 30.549 ( 4.217 -0.461 -3.289) 5.368 31.470 ( -14.662 -3.257 6.480) 16.358 31.611 ( -0.760 1.634 -9.453) 9.624 32.804 ( -9.501 9.954 10.043) 17.036 33.013 ( -3.677 5.039 -8.474) 10.522 35.468 ( 12.562 -5.296 0.650) 13.649 36.413 ( 0.190 -13.094 -4.885) 13.977 46.217 ( -4.584 1.637 4.213) 6.437 46.288 ( 1.761 4.588 -4.247) 6.495 90.435 ( -12.151 -0.813 -0.594) 12.193 91.128 ( -17.192 -7.591 -7.643) 20.288 91.336 ( -2.919 -4.966 0.485) 5.781 91.934 ( -15.461 7.684 -16.738) 24.046 ======================= Grid point 317 (151/196) ======================= q-point: (-0.10 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( -14.412 10.290 16.957) 24.517 2.192 ( -24.427 10.433 16.442) 31.239 2.910 ( -23.551 -8.116 13.003) 28.099 3.253 ( -6.928 -3.266 -13.648) 15.651 3.436 ( 0.265 6.872 3.217) 7.593 3.507 ( -6.076 10.598 16.276) 20.351 3.697 ( -11.719 11.261 3.724) 16.674 3.936 ( 7.460 8.516 -6.935) 13.277 5.413 ( 6.998 -2.088 -0.380) 7.313 5.720 ( -0.353 -8.733 -8.716) 12.344 6.346 ( -0.263 4.661 5.178) 6.972 6.464 ( 4.792 8.873 -13.296) 16.688 6.775 ( 3.202 -1.329 -5.302) 6.335 6.975 ( -9.449 1.730 -2.624) 9.958 8.107 ( 2.909 0.238 2.806) 4.049 8.411 ( -10.709 0.325 -2.978) 11.120 9.082 ( 12.012 0.310 16.815) 20.667 9.768 ( 12.011 -4.244 2.239) 12.934 9.966 ( -1.469 1.352 -1.270) 2.366 10.145 ( -22.620 -4.817 5.000) 23.661 10.665 ( 1.695 -0.789 -1.732) 2.548 10.927 ( -7.135 -1.202 -5.683) 9.201 11.832 ( 5.888 -2.261 6.436) 9.011 12.124 ( 12.276 -3.720 -5.652) 14.018 12.308 ( 0.650 -0.986 -2.478) 2.745 12.391 ( 1.321 -0.244 -3.448) 3.701 15.266 ( -4.685 0.827 7.089) 8.537 15.416 ( 11.358 0.436 -8.083) 13.947 17.793 ( 7.733 -1.304 -4.036) 8.820 17.900 ( 6.822 2.896 -0.553) 7.432 18.083 ( -12.495 -0.383 4.890) 13.424 18.275 ( -1.805 0.168 0.356) 1.848 18.311 ( -5.477 -1.949 -1.091) 5.915 18.499 ( -29.868 2.067 -6.479) 30.632 22.852 ( 7.779 -0.780 3.496) 8.564 23.426 ( -14.683 -5.037 -12.242) 19.769 28.804 ( 21.807 -4.022 16.267) 27.501 29.058 ( 4.709 0.861 2.807) 5.550 29.069 ( -1.638 2.474 -1.348) 3.259 29.725 ( -2.557 -0.473 1.059) 2.808 30.401 ( 1.888 0.468 7.660) 7.903 30.577 ( 2.538 0.385 -3.477) 4.322 31.317 ( -15.354 -0.884 8.569) 17.606 31.507 ( -0.005 0.644 -11.801) 11.818 32.652 ( -5.886 5.473 8.570) 11.749 32.850 ( -1.442 4.651 -7.209) 8.700 35.752 ( 13.516 -3.952 5.410) 15.086 36.449 ( -7.743 -8.707 -10.971) 16.004 46.162 ( -4.213 1.441 4.784) 6.536 46.239 ( 2.331 2.640 -4.516) 5.727 90.297 ( -5.013 -0.183 -1.265) 5.173 90.725 ( -34.510 -5.419 -10.794) 36.562 91.356 ( -1.507 0.469 5.493) 5.715 91.602 ( -1.392 7.298 -8.040) 10.947 ======================= Grid point 319 (152/196) ======================= q-point: ( 0.10 0.10 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( 21.263 0.000 -11.071) 23.973 2.500 ( 21.136 0.000 9.351) 23.112 2.979 ( 11.474 0.000 27.483) 29.782 3.185 ( 2.999 0.000 14.890) 15.189 3.383 ( 4.587 0.000 -9.402) 10.461 3.606 ( 10.388 0.000 -3.084) 10.836 3.935 ( 8.313 0.000 -9.270) 12.451 4.193 ( 20.325 0.000 -10.451) 22.855 5.505 ( 1.796 0.000 -14.843) 14.951 5.864 ( 14.841 0.000 -5.798) 15.933 6.114 ( -6.681 -0.000 14.010) 15.521 6.407 ( -2.281 -0.000 -9.232) 9.509 6.656 ( 0.723 0.000 6.910) 6.947 7.057 ( 8.547 0.000 4.420) 9.622 8.161 ( 0.382 0.000 -6.566) 6.578 8.511 ( 5.958 0.000 4.288) 7.341 9.136 ( -4.504 -0.000 -7.608) 8.841 9.639 ( -9.278 -0.000 -2.428) 9.591 9.976 ( 3.913 0.000 2.764) 4.791 10.581 ( -5.142 -0.000 0.073) 5.143 10.604 ( 15.084 0.000 -4.582) 15.765 10.970 ( 9.200 0.000 3.522) 9.851 11.760 ( -11.055 -0.000 -0.098) 11.055 11.821 ( -19.065 -0.000 1.182) 19.102 12.295 ( -1.525 -0.000 -0.939) 1.791 12.327 ( -2.123 -0.000 3.282) 3.909 15.114 ( -12.611 -0.000 7.187) 14.516 15.383 ( 1.018 0.000 -2.683) 2.869 17.725 ( 4.209 0.000 2.771) 5.039 17.829 ( -1.920 -0.000 -3.066) 3.618 18.244 ( 0.986 0.000 1.277) 1.613 18.292 ( 1.610 0.000 0.834) 1.814 18.477 ( 16.300 0.000 -5.208) 17.112 18.783 ( 22.125 0.000 8.549) 23.720 22.771 ( -8.351 -0.000 -2.128) 8.618 23.395 ( 3.386 0.000 14.430) 14.822 28.838 ( -8.766 -0.000 -18.179) 20.182 29.039 ( -0.291 -0.000 -0.453) 0.538 29.072 ( 1.581 0.000 1.615) 2.260 29.769 ( -6.338 -0.000 -8.865) 10.897 30.491 ( -2.835 -0.000 3.093) 4.195 30.494 ( -0.366 -0.000 -8.066) 8.074 31.318 ( -0.773 -0.000 13.676) 13.698 31.765 ( 20.507 0.000 -13.015) 24.289 32.855 ( 10.452 0.000 -9.027) 13.811 32.857 ( 12.001 0.000 2.526) 12.264 35.545 ( -21.126 -0.000 2.132) 21.234 36.348 ( -2.430 -0.000 13.429) 13.647 46.131 ( -1.420 -0.000 4.273) 4.502 46.288 ( 5.285 0.000 -3.974) 6.612 90.480 ( 17.716 0.000 -3.991) 18.160 91.035 ( 22.775 0.000 11.083) 25.328 91.427 ( -1.601 -0.000 7.124) 7.301 91.486 ( 7.805 0.000 -0.068) 7.805 ======================= Grid point 320 (153/196) ======================= q-point: ( 0.20 0.10 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( 9.055 9.873 1.096) 13.441 2.813 ( 6.271 -5.804 -11.136) 14.036 3.286 ( 5.988 1.507 7.073) 9.389 3.429 ( 10.815 2.683 3.216) 11.597 3.576 ( 18.650 -3.089 5.838) 19.785 3.754 ( 23.681 -3.123 -1.514) 23.934 4.020 ( 12.088 -3.153 -7.981) 14.824 4.574 ( 15.049 -16.059 1.492) 22.058 5.416 ( 3.017 3.246 -12.126) 12.910 5.938 ( 10.524 8.014 -3.379) 13.653 6.222 ( -4.548 -9.844 3.968) 11.547 6.307 ( -6.231 -6.443 -3.763) 9.721 6.806 ( 15.859 2.514 4.379) 16.643 7.244 ( 10.062 -1.011 5.443) 11.484 8.115 ( -0.786 -0.170 -5.935) 5.989 8.522 ( -8.315 2.017 6.594) 10.803 9.150 ( 9.728 -1.281 -6.690) 11.876 9.499 ( -4.908 2.847 1.967) 6.005 9.988 ( -1.700 -0.311 -4.025) 4.380 10.418 ( -5.177 10.896 -0.440) 12.071 10.749 ( 2.273 -2.693 0.114) 3.526 11.085 ( 2.858 -0.517 0.364) 2.927 11.510 ( -21.070 -2.299 -3.375) 21.462 11.700 ( 1.716 -0.801 4.140) 4.553 12.255 ( -2.221 0.556 -0.699) 2.393 12.307 ( -2.319 1.669 3.890) 4.827 14.979 ( -10.414 0.267 4.659) 11.412 15.397 ( 1.288 0.947 1.288) 2.053 17.712 ( 1.133 6.637 -3.234) 7.469 17.876 ( 3.884 -4.345 -1.352) 5.983 18.267 ( -0.039 -0.650 3.116) 3.184 18.323 ( 1.653 -0.563 0.395) 1.791 18.696 ( 16.122 -0.936 -4.524) 16.771 19.116 ( 11.925 -1.155 8.090) 14.456 22.644 ( -6.420 0.378 -1.577) 6.622 23.458 ( -5.754 3.734 12.712) 14.445 28.680 ( 3.501 0.491 -12.559) 13.047 29.017 ( -1.850 -0.294 -2.070) 2.791 29.144 ( 4.219 -0.135 4.049) 5.849 29.559 ( -13.543 -2.685 -7.477) 15.701 30.420 ( -0.523 0.530 -7.452) 7.489 30.463 ( -3.452 0.062 1.445) 3.743 31.400 ( -2.254 -0.714 13.065) 13.277 31.907 ( 14.289 4.162 -11.590) 18.864 32.942 ( 10.801 2.278 -2.067) 11.230 33.139 ( 16.716 -7.372 -7.608) 19.790 35.265 ( -16.530 2.919 5.652) 17.711 36.333 ( -7.803 2.944 9.862) 12.916 46.157 ( -0.777 -1.790 4.025) 4.473 46.354 ( 6.398 -0.595 -3.593) 7.362 90.706 ( 17.335 1.610 -5.128) 18.149 91.196 ( -1.520 -1.560 -2.117) 3.037 91.411 ( 0.388 5.521 6.814) 8.778 91.898 ( 22.042 -3.629 19.687) 29.776 ======================= Grid point 321 (154/196) ======================= q-point: ( 0.30 0.10 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( 4.308 7.794 -1.086) 8.971 2.795 ( 5.683 -0.746 -18.328) 19.204 3.331 ( 4.507 11.536 6.487) 13.981 3.554 ( 11.312 -0.448 -0.268) 11.324 3.859 ( 15.928 2.572 3.343) 16.477 4.012 ( 10.787 0.853 -4.201) 11.607 4.460 ( 22.301 -11.697 0.744) 25.193 4.938 ( 5.950 -13.446 2.775) 14.964 5.364 ( 3.104 1.353 -4.513) 5.642 6.021 ( 9.726 -1.488 -1.777) 9.998 6.187 ( -6.533 -10.434 -10.727) 16.329 6.365 ( -4.855 -5.251 8.780) 11.323 7.095 ( 21.760 3.498 1.666) 22.103 7.433 ( 11.444 1.936 1.678) 11.727 8.030 ( -7.207 0.962 -3.361) 8.010 8.360 ( -13.004 3.143 8.112) 15.645 9.209 ( -0.537 -3.676 -8.043) 8.860 9.520 ( 8.394 4.972 8.611) 13.013 9.896 ( -4.211 -0.584 -7.980) 9.042 10.184 ( -3.740 11.028 -2.772) 11.970 10.771 ( -2.826 -1.727 1.674) 3.711 11.097 ( -1.994 -1.110 0.100) 2.285 11.248 ( -14.934 -3.969 -2.887) 15.719 11.818 ( 4.424 -1.714 3.508) 5.901 12.209 ( -2.945 0.075 -0.610) 3.008 12.299 ( 1.028 1.654 5.171) 5.525 14.878 ( -4.833 0.885 2.091) 5.340 15.396 ( -0.096 2.851 2.273) 3.647 17.614 ( 1.238 6.127 -4.856) 7.915 17.954 ( 3.144 -0.660 -0.686) 3.285 18.313 ( 0.159 -3.028 2.307) 3.810 18.358 ( 0.598 -1.155 1.170) 1.749 18.897 ( 10.652 -2.588 -2.573) 11.260 19.279 ( 2.430 -0.611 4.370) 5.037 22.553 ( -3.908 0.015 -1.013) 4.037 23.341 ( -10.349 4.416 6.399) 12.944 28.699 ( 6.958 2.061 -4.127) 8.348 28.962 ( -3.263 -1.453 -4.878) 6.046 29.195 ( -1.838 2.323 0.968) 3.117 29.414 ( -6.785 -6.735 1.901) 9.747 30.367 ( 1.199 -0.270 -7.322) 7.425 30.414 ( -3.442 1.125 1.992) 4.133 31.456 ( -4.326 -2.016 11.032) 12.020 31.942 ( 9.483 5.311 -9.923) 14.717 33.074 ( 9.115 1.993 3.394) 9.928 33.377 ( 14.139 -4.132 -12.943) 19.609 35.084 ( -9.733 1.313 7.094) 12.115 36.210 ( -9.342 3.571 4.827) 11.105 46.206 ( -0.538 -2.500 3.876) 4.644 46.433 ( 6.681 0.137 -3.321) 7.462 90.869 ( 11.947 3.173 -3.252) 12.782 91.131 ( -5.983 -2.956 -3.644) 7.603 91.399 ( -1.163 2.874 4.700) 5.631 92.324 ( 13.012 2.049 18.521) 22.727 ======================= Grid point 322 (155/196) ======================= q-point: ( 0.40 0.10 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( 0.590 7.838 -7.722) 11.019 2.805 ( 12.112 8.023 -6.358) 15.859 3.324 ( 3.591 5.537 5.823) 8.801 3.694 ( 8.024 2.405 0.345) 8.384 3.966 ( 6.488 8.059 -1.153) 10.410 4.158 ( 10.748 -0.857 -3.715) 11.404 4.725 ( 5.744 -0.832 3.393) 6.723 5.131 ( 5.407 -0.035 -6.997) 8.842 5.449 ( 4.577 -8.290 1.524) 9.592 6.181 ( -0.871 -10.162 -11.450) 15.334 6.228 ( 7.117 -7.178 4.674) 11.137 6.406 ( -5.545 -5.346 7.201) 10.544 7.242 ( 0.868 10.030 4.850) 11.175 7.526 ( -3.918 4.120 2.927) 6.395 7.844 ( 2.145 3.164 -3.903) 5.463 8.268 ( -3.668 -1.797 2.383) 4.729 9.188 ( -2.844 -6.065 -3.726) 7.665 9.606 ( 3.322 6.666 3.925) 8.418 9.806 ( -2.087 -2.488 -6.444) 7.216 10.028 ( 2.270 8.260 -3.020) 9.083 10.754 ( -2.231 -1.631 -0.752) 2.864 11.069 ( -6.361 -3.034 4.421) 8.320 11.146 ( -3.203 -3.106 -0.667) 4.511 11.876 ( -0.404 -0.588 0.965) 1.200 12.159 ( -2.493 0.017 -0.450) 2.534 12.372 ( 3.595 -0.758 3.366) 4.983 14.851 ( 2.420 1.709 0.147) 2.966 15.362 ( -0.785 3.317 1.945) 3.925 17.536 ( 2.414 4.780 -4.413) 6.939 17.985 ( 1.864 1.125 0.139) 2.181 18.356 ( -0.312 -2.306 -1.288) 2.659 18.389 ( -1.815 -2.459 3.690) 4.792 19.027 ( 2.395 -4.090 -1.288) 4.911 19.277 ( -5.566 0.148 1.646) 5.806 22.516 ( -0.788 -0.713 -0.723) 1.285 23.185 ( -8.287 1.324 2.084) 8.647 28.702 ( -1.559 1.690 -3.232) 3.967 28.913 ( -1.323 -1.797 -2.191) 3.127 29.107 ( -5.025 -0.900 -0.326) 5.116 29.504 ( 2.565 -2.627 7.400) 8.261 30.358 ( 1.864 -0.345 -3.734) 4.188 30.365 ( -1.517 1.283 0.221) 1.999 31.481 ( -6.434 -3.531 8.253) 11.044 31.922 ( 6.148 5.019 -9.270) 12.204 33.198 ( 5.873 3.781 8.758) 11.203 33.466 ( 9.022 0.571 -15.607) 18.036 35.042 ( -3.514 -2.029 5.874) 7.139 36.062 ( -8.242 1.686 1.697) 8.583 46.255 ( -0.669 -2.009 3.850) 4.394 46.494 ( 6.084 1.806 -3.259) 7.134 90.889 ( -3.520 1.250 -2.495) 4.492 91.110 ( 3.146 -0.771 -0.422) 3.266 91.356 ( -5.518 -0.237 1.436) 5.707 92.508 ( 3.648 4.302 10.367) 11.802 ======================= Grid point 323 (156/196) ======================= q-point: (-0.50 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( 3.940 6.533 0.692) 7.660 2.800 ( 10.113 15.983 -0.413) 18.918 3.352 ( 1.044 4.117 4.553) 6.227 3.742 ( 3.840 2.929 -0.453) 4.851 3.886 ( -0.470 8.628 -0.385) 8.649 4.230 ( 6.413 6.508 -2.676) 9.520 4.863 ( 5.495 -4.132 3.073) 7.531 5.041 ( 1.655 6.834 -11.481) 13.463 5.565 ( -2.323 -1.890 -1.172) 3.216 6.204 ( -0.586 -0.512 -6.946) 6.989 6.412 ( 2.401 -1.820 6.373) 7.049 6.488 ( -3.601 -13.718 2.258) 14.361 6.932 ( -29.027 7.031 15.738) 33.759 7.293 ( -6.304 10.835 0.225) 12.537 8.053 ( 19.649 -3.824 -6.203) 20.956 8.262 ( -1.541 -0.615 -0.432) 1.714 9.228 ( -2.250 -8.884 -3.357) 9.760 9.523 ( -3.230 7.618 1.448) 8.400 9.784 ( -0.904 -3.506 -4.246) 5.580 9.972 ( 3.851 7.135 -0.518) 8.124 10.743 ( -0.493 -2.380 -3.255) 4.063 11.051 ( -7.039 -2.524 6.025) 9.603 11.217 ( 5.369 -4.310 2.747) 7.413 11.863 ( -2.411 -0.836 0.234) 2.563 12.143 ( -0.351 -1.773 -0.630) 1.914 12.430 ( 2.132 -0.517 -2.778) 3.540 14.909 ( 9.147 2.390 -1.334) 9.548 15.334 ( 0.311 2.390 2.141) 3.223 17.506 ( 4.029 2.973 -3.181) 5.933 17.987 ( 0.797 1.691 0.108) 1.873 18.348 ( -1.979 -1.262 -1.706) 2.901 18.403 ( -4.084 -2.326 2.879) 5.512 19.025 ( -7.854 -1.057 -1.310) 8.032 19.164 ( -11.151 -3.289 1.065) 11.674 22.532 ( 1.981 -1.093 -0.852) 2.418 23.118 ( -3.768 -3.804 0.595) 5.388 28.586 ( -8.685 -1.343 -2.914) 9.259 28.920 ( -0.481 0.499 3.725) 3.789 29.092 ( 0.091 -2.770 -1.057) 2.966 29.625 ( 4.368 0.317 6.383) 7.741 30.321 ( -2.482 2.442 4.573) 5.748 30.395 ( 5.221 -1.355 -5.694) 7.844 31.475 ( -8.382 -4.906 5.644) 11.233 31.865 ( 3.166 4.225 -9.400) 10.781 33.268 ( 1.120 6.615 13.038) 14.663 33.427 ( 6.144 3.810 -16.745) 18.239 35.086 ( 0.011 -3.230 2.719) 4.222 35.969 ( -5.920 -2.854 1.243) 6.688 46.288 ( -1.067 -0.647 4.014) 4.203 46.516 ( 4.894 3.823 -3.474) 7.116 90.753 ( -10.690 -0.967 -2.102) 10.937 91.181 ( 0.743 -0.826 2.777) 2.991 91.268 ( -5.764 -1.370 -1.476) 6.106 92.501 ( -2.736 4.141 1.891) 5.312 ======================= Grid point 324 (157/196) ======================= q-point: (-0.40 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( 4.095 4.105 14.298) 15.429 2.702 ( 6.681 19.359 1.954) 20.572 3.267 ( -3.897 8.496 0.471) 9.359 3.741 ( 3.399 10.118 0.773) 10.702 3.782 ( -4.106 -0.297 2.964) 5.073 4.147 ( 1.051 12.677 -1.276) 12.784 4.811 ( 1.412 14.566 -10.633) 18.090 5.070 ( 3.690 -8.887 -3.344) 10.187 5.425 ( -8.342 5.174 -1.920) 10.003 5.843 ( -33.504 13.697 5.204) 36.568 6.492 ( -0.335 -3.621 2.039) 4.169 6.570 ( 4.223 0.231 1.698) 4.558 6.824 ( -8.146 -13.018 13.416) 20.392 7.088 ( -0.419 11.228 -4.952) 12.279 8.220 ( -2.884 0.641 -1.412) 3.274 8.329 ( 13.883 -3.649 -2.375) 14.550 9.222 ( -11.686 -6.173 -5.094) 14.164 9.401 ( 1.821 6.081 2.697) 6.897 9.828 ( 1.139 -7.279 -3.363) 8.099 9.951 ( 3.451 5.233 2.234) 6.655 10.746 ( -0.820 -2.586 -3.296) 4.269 11.002 ( -9.633 -2.256 6.777) 11.992 11.413 ( 8.063 -5.295 2.923) 10.080 11.840 ( -1.719 -1.674 -1.440) 2.798 12.181 ( 0.973 -3.953 -1.309) 4.276 12.416 ( 2.730 0.967 -8.481) 8.962 15.039 ( 13.644 1.871 -2.632) 14.021 15.343 ( 2.083 2.260 3.070) 4.344 17.537 ( 6.119 1.025 -2.043) 6.532 17.971 ( 0.295 1.889 -0.347) 1.943 18.312 ( -2.770 -1.186 -1.729) 3.474 18.363 ( -6.477 -1.140 1.682) 6.788 18.798 ( -16.891 3.346 -0.506) 17.227 19.056 ( -15.196 -7.531 0.081) 16.959 22.587 ( 4.104 -1.286 -0.568) 4.338 23.165 ( -1.569 -8.835 -0.653) 8.997 28.474 ( -7.404 -1.009 3.315) 8.174 28.940 ( -0.243 -0.381 3.743) 3.771 29.135 ( 1.268 -2.383 -0.837) 2.826 29.710 ( 3.537 1.834 3.672) 5.418 30.304 ( -0.855 2.144 6.546) 6.941 30.461 ( 6.321 -1.172 -4.795) 8.020 31.437 ( -10.262 -5.540 3.965) 12.317 31.774 ( 0.500 3.116 -10.048) 10.532 33.242 ( -4.800 9.545 14.964) 18.386 33.326 ( 5.728 6.576 -16.634) 18.781 35.163 ( 3.639 -3.697 0.093) 5.188 35.979 ( -4.564 -8.772 1.693) 10.032 46.296 ( -1.666 1.103 4.356) 4.793 46.493 ( 3.617 5.518 -4.003) 7.717 90.580 ( -12.299 -1.467 -1.544) 12.482 91.078 ( -18.016 -8.155 -2.510) 19.934 91.300 ( 6.487 3.444 3.439) 8.110 92.361 ( -6.908 4.410 -5.232) 9.723 ======================= Grid point 325 (158/196) ======================= q-point: (-0.30 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( -6.017 4.188 26.550) 27.543 2.561 ( 8.486 21.823 0.729) 23.426 3.073 ( -9.552 5.315 0.410) 10.939 3.604 ( -2.878 11.801 3.387) 12.610 3.759 ( -1.107 4.289 -1.858) 4.803 3.967 ( -1.585 11.776 0.930) 11.919 4.459 ( -3.615 24.444 -10.957) 27.030 4.959 ( -25.053 18.657 6.279) 31.862 5.315 ( -0.057 -0.502 -0.727) 0.885 5.345 ( -10.887 -7.116 -0.336) 13.010 6.529 ( -1.367 -1.425 1.538) 2.503 6.658 ( 7.690 2.899 1.732) 8.399 6.899 ( -2.160 5.259 -7.380) 9.316 6.987 ( 0.290 -4.370 4.707) 6.429 8.151 ( -2.279 1.768 -1.312) 3.168 8.503 ( 3.775 -2.214 -0.812) 4.451 9.026 ( -9.691 1.576 2.304) 10.085 9.468 ( 5.882 -1.475 2.566) 6.585 9.917 ( -1.022 -10.346 -5.714) 11.863 9.983 ( 2.706 1.656 4.324) 5.363 10.708 ( -6.039 -0.883 -0.190) 6.106 10.932 ( -8.956 -3.818 2.987) 10.184 11.595 ( 3.905 -5.005 3.264) 7.138 11.863 ( 3.900 -4.002 -4.856) 7.403 12.229 ( -0.114 -4.406 -2.938) 5.297 12.389 ( 4.533 1.178 -8.917) 10.073 15.217 ( 13.997 0.973 -2.743) 14.297 15.373 ( 3.649 3.413 3.096) 5.878 17.633 ( 8.824 -0.497 -1.761) 9.012 17.949 ( 0.748 1.797 -0.946) 2.164 18.260 ( -9.693 -0.144 1.098) 9.757 18.282 ( -1.707 -1.115 -1.275) 2.405 18.490 ( -17.111 2.665 0.660) 17.329 18.862 ( -21.815 -5.665 -1.419) 22.583 22.681 ( 5.828 -1.718 0.691) 6.115 23.244 ( -4.446 -11.234 -3.467) 12.569 28.477 ( 1.093 0.093 12.031) 12.081 28.979 ( 0.815 -1.227 2.907) 3.259 29.158 ( -0.052 -0.715 -1.560) 1.717 29.735 ( 0.103 1.180 1.342) 1.790 30.342 ( 1.461 1.246 8.105) 8.329 30.537 ( 6.377 -0.488 -4.165) 7.633 31.365 ( -11.777 -4.772 3.873) 13.284 31.658 ( -1.340 1.937 -10.908) 11.159 33.101 ( -9.224 12.192 13.947) 20.694 33.196 ( 5.954 9.107 -15.069) 18.587 35.316 ( 8.836 -6.040 0.378) 10.710 36.055 ( -6.056 -13.470 0.335) 14.772 46.274 ( -2.351 2.742 4.805) 6.011 46.431 ( 2.701 6.295 -4.746) 8.334 90.410 ( -10.749 -1.132 -1.337) 10.891 90.854 ( -23.568 -9.585 -4.531) 25.843 91.374 ( 5.154 3.995 5.267) 8.382 92.115 ( -8.311 6.935 -9.818) 14.614 ======================= Grid point 326 (159/196) ======================= q-point: (-0.20 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.379 ( -0.325 21.193 16.503) 26.863 2.434 ( -2.491 11.670 12.289) 17.129 2.830 ( -23.688 3.162 12.429) 26.937 3.347 ( -6.496 12.349 -16.425) 21.552 3.629 ( 5.407 10.679 1.694) 12.089 3.853 ( -4.569 4.995 3.574) 7.655 4.067 ( -3.890 26.010 7.448) 27.334 4.365 ( -12.077 20.683 -1.408) 23.992 5.341 ( 3.407 -2.781 -0.662) 4.448 5.439 ( 1.393 -11.505 -5.969) 13.035 6.494 ( -4.413 2.900 3.364) 6.261 6.709 ( 2.046 5.459 -14.696) 15.810 6.758 ( 5.170 4.651 3.149) 7.634 7.020 ( -2.353 1.162 -0.900) 2.774 8.120 ( 1.277 0.635 1.215) 1.873 8.423 ( -9.890 0.509 -3.575) 10.528 9.091 ( 10.773 0.102 13.465) 17.244 9.636 ( 7.238 -4.604 5.597) 10.243 9.938 ( -12.259 -9.646 -4.180) 16.150 10.000 ( 1.499 0.777 -2.082) 2.681 10.632 ( -4.689 -1.712 2.952) 5.800 10.869 ( -6.124 -3.419 -3.349) 7.773 11.729 ( 2.439 -5.399 5.141) 7.843 11.971 ( 5.585 -7.191 -7.231) 11.627 12.251 ( -0.389 -3.196 -1.934) 3.756 12.382 ( 1.512 -0.609 -6.208) 6.419 15.324 ( 1.783 3.940 5.545) 7.032 15.441 ( 10.546 1.685 -5.440) 11.986 17.777 ( 11.344 -0.283 -3.010) 11.740 17.949 ( 2.705 0.488 -0.215) 2.757 18.086 ( -12.259 0.944 1.645) 12.405 18.266 ( -12.571 -0.574 0.960) 12.620 18.283 ( 0.657 -0.314 -0.770) 1.060 18.537 ( -22.075 0.181 -1.816) 22.150 22.815 ( 7.063 -2.145 2.600) 7.826 23.231 ( -10.170 -8.879 -5.807) 14.696 28.710 ( 13.207 -2.650 15.481) 20.521 29.039 ( 2.147 -1.170 2.284) 3.346 29.142 ( 1.966 1.251 -0.706) 2.435 29.699 ( -5.934 -1.508 -1.146) 6.229 30.418 ( 1.862 0.730 7.822) 8.073 30.592 ( 4.636 0.615 -4.127) 6.237 31.272 ( -11.073 -2.558 6.259) 12.974 31.532 ( -1.439 1.107 -11.669) 11.810 32.890 ( -9.293 12.142 11.494) 19.129 33.059 ( 6.726 10.952 -13.149) 18.387 35.583 ( 11.791 -8.385 3.743) 14.944 36.112 ( -10.209 -15.179 -3.283) 18.585 46.230 ( -2.808 3.722 5.176) 6.966 46.353 ( 2.319 5.841 -5.261) 8.196 90.288 ( -4.509 -0.492 -1.472) 4.768 90.555 ( -24.501 -6.222 -3.668) 25.544 91.425 ( 2.958 4.544 6.587) 8.531 91.827 ( -5.341 8.979 -10.240) 14.628 ======================= Grid point 327 (160/196) ======================= q-point: (-0.10 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( -15.634 21.085 16.227) 30.860 2.288 ( 15.604 27.004 4.812) 31.558 2.641 ( -14.238 -6.544 21.567) 26.659 3.096 ( 4.169 1.606 -18.499) 19.031 3.559 ( -13.278 14.054 14.805) 24.351 3.714 ( -4.591 13.397 6.262) 15.485 3.789 ( 4.841 7.252 4.410) 9.771 4.163 ( 15.823 14.965 -14.465) 26.145 5.452 ( 5.178 -6.021 -2.106) 8.216 5.545 ( 2.289 -8.606 -9.122) 12.748 6.380 ( -7.316 5.495 4.458) 10.178 6.544 ( 2.196 7.186 -10.263) 12.720 6.813 ( -0.046 1.944 3.002) 3.577 6.899 ( -0.253 5.644 -4.688) 7.342 8.197 ( 6.748 -0.237 2.721) 7.279 8.273 ( -4.859 -0.106 -4.040) 6.320 9.436 ( 15.747 -1.985 16.294) 22.746 9.704 ( -21.576 -3.394 -5.043) 22.416 9.840 ( 1.548 -5.036 5.316) 7.484 10.038 ( 10.884 -2.214 -8.369) 13.907 10.671 ( 0.823 -2.813 4.018) 4.973 10.783 ( -3.411 -0.633 -5.475) 6.482 11.880 ( -0.903 -7.131 8.209) 10.911 12.060 ( -0.709 -7.719 -8.489) 11.495 12.281 ( -0.085 -2.095 2.091) 2.961 12.351 ( -1.711 -1.161 -3.895) 4.410 15.303 ( -4.224 3.496 8.439) 10.064 15.485 ( 4.272 1.908 -8.478) 9.684 17.863 ( -14.198 -1.312 4.689) 15.010 17.950 ( 8.879 0.830 -2.609) 9.291 18.035 ( -5.331 1.891 1.061) 5.755 18.088 ( 7.961 0.211 -3.211) 8.587 18.290 ( -2.975 0.844 2.280) 3.842 18.334 ( 2.014 1.782 -1.949) 3.321 22.985 ( 7.968 -2.442 5.349) 9.903 23.096 ( -12.373 -4.074 -4.846) 13.899 28.974 ( 3.913 -2.500 3.951) 6.097 29.037 ( -1.861 -0.276 -2.139) 2.848 29.399 ( 25.426 -3.657 7.059) 26.640 29.546 ( -14.703 -2.160 -6.604) 16.262 30.477 ( -0.142 0.609 6.109) 6.141 30.591 ( 1.652 1.398 -4.812) 5.276 31.212 ( -6.667 -0.101 10.232) 12.213 31.447 ( 3.761 -0.385 -11.384) 11.995 32.725 ( -4.682 7.724 8.673) 12.522 32.935 ( 8.047 11.478 -11.399) 18.068 35.895 ( 5.021 -9.325 9.557) 14.266 36.070 ( -11.185 -10.892 -6.385) 16.868 46.178 ( -2.754 3.530 5.118) 6.800 46.286 ( 2.659 4.165 -5.017) 7.042 90.295 ( -9.088 -1.132 0.242) 9.161 90.304 ( 5.238 -0.681 -0.616) 5.318 91.438 ( -0.350 4.970 7.732) 9.198 91.612 ( -0.464 6.507 -8.643) 10.829 ======================= Grid point 330 (161/196) ======================= q-point: ( 0.20 0.20 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.641 ( 2.027 0.000 9.550) 9.763 2.722 ( 4.785 0.000 -22.475) 22.978 3.492 ( 11.884 0.000 5.072) 12.921 3.695 ( 11.768 0.000 -10.909) 16.047 3.863 ( 20.474 0.000 13.920) 24.758 4.098 ( 21.357 0.000 -3.258) 21.604 4.198 ( 24.304 0.000 -4.933) 24.800 4.667 ( 6.118 0.000 8.590) 10.546 5.431 ( 7.190 0.000 -11.411) 13.487 5.880 ( -8.899 -0.000 -15.322) 17.719 6.180 ( -3.739 -0.000 10.220) 10.882 6.255 ( 4.963 0.000 1.663) 5.234 7.146 ( 23.074 0.000 -0.017) 23.074 7.448 ( 10.865 0.000 7.647) 13.286 8.044 ( -2.986 -0.000 -5.581) 6.330 8.405 ( -16.926 -0.000 9.801) 19.559 9.163 ( 0.581 0.000 -9.459) 9.477 9.587 ( 7.669 0.000 8.542) 11.479 9.891 ( -4.667 -0.000 -7.944) 9.214 10.381 ( -8.380 -0.000 -1.293) 8.479 10.701 ( -6.128 -0.000 3.059) 6.849 11.085 ( -0.588 -0.000 -1.646) 1.747 11.179 ( -13.797 -0.000 -5.486) 14.848 11.792 ( 5.565 0.000 3.291) 6.465 12.211 ( -2.793 -0.000 -1.276) 3.071 12.326 ( -0.607 -0.000 4.823) 4.861 14.891 ( -4.694 -0.000 2.656) 5.393 15.441 ( 0.070 0.000 4.163) 4.163 17.736 ( 0.888 0.000 -7.050) 7.105 17.911 ( 5.825 0.000 -1.334) 5.976 18.280 ( -1.456 -0.000 4.884) 5.096 18.332 ( 0.360 0.000 -0.166) 0.397 18.862 ( 10.147 0.000 -3.559) 10.753 19.264 ( 1.855 0.000 6.410) 6.673 22.552 ( -4.530 -0.000 -1.162) 4.676 23.402 ( -13.580 -0.000 7.420) 15.475 28.731 ( 8.579 0.000 -3.226) 9.165 28.940 ( -5.398 -0.000 -4.788) 7.215 29.271 ( -15.012 -0.000 -3.151) 15.340 29.276 ( 7.115 0.000 7.339) 10.222 30.363 ( 1.375 0.000 -8.966) 9.071 30.430 ( -3.588 -0.000 3.153) 4.777 31.429 ( -4.777 -0.000 10.780) 11.792 32.013 ( 8.472 0.000 -11.844) 14.562 33.104 ( 14.731 0.000 -9.562) 17.563 33.319 ( 15.055 0.000 -0.734) 15.073 35.110 ( -12.130 -0.000 6.722) 13.868 36.255 ( -12.362 -0.000 6.600) 14.014 46.172 ( 0.322 0.000 3.813) 3.827 46.435 ( 7.708 0.000 -3.165) 8.333 90.922 ( 14.228 0.000 -3.900) 14.753 91.081 ( -7.322 -0.000 -3.941) 8.315 91.435 ( -4.818 -0.000 3.861) 6.175 92.366 ( 14.641 0.000 24.866) 28.856 ======================= Grid point 331 (162/196) ======================= q-point: ( 0.30 0.20 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.586 ( 4.591 8.548 -9.674) 13.702 2.812 ( 7.087 -4.879 3.296) 9.213 3.633 ( 7.946 9.660 -0.435) 12.516 3.750 ( 15.026 2.386 -7.088) 16.784 4.204 ( 16.916 8.359 5.355) 19.614 4.233 ( 15.131 10.449 -2.639) 18.576 4.652 ( 14.457 -7.744 4.384) 16.976 4.859 ( 6.526 -15.117 -0.575) 16.476 5.427 ( 5.036 5.268 -5.884) 9.367 5.753 ( -3.610 -14.013 -12.836) 19.343 6.190 ( -1.281 -1.390 4.769) 5.130 6.356 ( 3.421 -0.011 4.595) 5.729 7.400 ( 5.912 2.501 2.929) 7.056 7.629 ( 6.315 3.041 5.095) 8.666 7.934 ( -4.134 2.834 -3.197) 5.945 8.217 ( -12.517 -1.707 7.789) 14.841 9.078 ( -4.188 -2.254 -7.008) 8.470 9.735 ( 0.139 2.582 -1.243) 2.869 9.769 ( 0.940 -0.312 -0.852) 1.307 10.226 ( -0.031 6.164 -5.760) 8.437 10.653 ( -7.805 -5.073 3.654) 10.000 11.020 ( -4.791 0.078 0.649) 4.835 11.071 ( -2.239 -2.594 -1.828) 3.884 11.861 ( 0.233 -0.401 1.559) 1.627 12.159 ( -2.837 0.001 -1.076) 3.034 12.367 ( 2.026 0.120 2.978) 3.604 14.888 ( 3.354 0.863 1.353) 3.718 15.445 ( -1.465 2.252 3.916) 4.749 17.673 ( 2.768 4.792 -7.125) 9.022 17.990 ( 4.213 -1.354 -1.972) 4.845 18.289 ( -2.506 -0.796 4.019) 4.803 18.341 ( -1.316 -1.860 1.194) 2.572 18.936 ( 0.631 -2.285 -2.266) 3.279 19.271 ( -5.916 -0.371 3.277) 6.773 22.499 ( -1.811 -0.426 -0.709) 1.991 23.214 ( -13.402 0.741 1.769) 13.538 28.755 ( -7.779 2.005 -4.743) 9.329 28.860 ( 3.453 -1.955 0.208) 3.973 29.088 ( -8.686 -0.488 1.347) 8.803 29.459 ( 6.498 -0.910 10.472) 12.358 30.341 ( 3.985 -0.348 -8.194) 9.118 30.400 ( -3.159 0.753 3.739) 4.952 31.416 ( -6.926 -1.380 7.490) 10.294 32.011 ( 4.702 1.809 -11.547) 12.598 33.256 ( 13.674 0.790 -5.985) 14.947 33.502 ( 10.760 1.498 -2.411) 11.128 35.016 ( -6.918 -0.208 6.954) 9.812 36.089 ( -12.739 0.438 2.381) 12.967 46.218 ( 1.048 -0.802 3.920) 4.136 46.527 ( 7.867 0.709 -3.078) 8.477 90.917 ( -9.009 0.720 -3.479) 9.685 91.092 ( 8.625 -0.502 -0.044) 8.640 91.353 ( -8.145 -0.053 0.967) 8.202 92.627 ( 2.536 3.404 17.581) 18.086 ======================= Grid point 332 (163/196) ======================= q-point: ( 0.40 0.20 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.501 ( 6.934 11.032 -1.472) 13.113 3.026 ( 11.354 -0.911 3.599) 11.946 3.571 ( 4.658 11.101 -1.332) 12.112 3.889 ( 13.469 7.412 -3.327) 15.729 4.178 ( 5.324 14.025 -2.579) 15.222 4.375 ( 13.349 7.526 2.286) 15.494 4.743 ( -3.734 -3.279 1.410) 5.165 5.212 ( 15.317 -3.311 -10.208) 18.702 5.415 ( 0.583 -3.062 1.926) 3.664 5.899 ( 5.074 -17.894 -9.318) 20.803 6.237 ( -2.559 -5.262 1.095) 5.953 6.426 ( 1.249 1.618 6.573) 6.883 7.145 ( -33.908 7.276 14.464) 37.575 7.584 ( -2.730 9.467 1.933) 10.041 7.951 ( 8.917 -2.170 -3.307) 9.754 8.252 ( 6.775 -1.275 -0.216) 6.897 9.023 ( -4.525 -6.403 -4.688) 9.135 9.628 ( -3.113 -0.305 -6.736) 7.427 9.788 ( -0.771 4.091 3.732) 5.591 10.154 ( 5.057 6.541 -5.538) 9.951 10.639 ( -4.921 -5.777 -1.053) 7.661 10.983 ( -6.406 -1.533 5.783) 8.765 11.117 ( 4.171 -3.469 2.570) 6.003 11.845 ( -3.604 -0.587 0.772) 3.732 12.116 ( -2.191 -0.462 -0.668) 2.337 12.404 ( 1.388 -1.007 -2.704) 3.202 14.986 ( 11.382 2.849 0.525) 11.745 15.414 ( -0.422 3.224 2.780) 4.278 17.614 ( 4.507 5.098 -6.010) 9.079 18.033 ( 2.608 0.875 -0.962) 2.915 18.281 ( -3.706 -2.661 0.055) 4.563 18.347 ( -3.740 -1.975 3.294) 5.361 18.911 ( -8.652 -5.554 -1.065) 10.336 19.145 ( -13.021 0.249 1.123) 13.072 22.500 ( 1.112 -1.165 -0.513) 1.690 23.051 ( -8.769 -1.580 -0.748) 8.942 28.570 ( -10.058 -0.114 -1.416) 10.157 28.930 ( 0.932 0.357 3.341) 3.487 29.028 ( -2.150 -2.131 0.579) 3.082 29.626 ( 4.091 -0.107 10.803) 11.553 30.368 ( 3.346 0.068 -3.516) 4.854 30.374 ( 0.540 0.786 0.711) 1.189 31.370 ( -8.524 -2.992 4.408) 10.052 31.948 ( 1.784 2.205 -11.655) 11.995 33.391 ( 10.386 2.520 -1.868) 10.849 33.557 ( 6.102 5.813 -3.604) 9.166 35.011 ( -2.491 -2.251 5.893) 6.782 35.921 ( -10.806 -1.249 -0.142) 10.879 46.274 ( 1.269 -0.409 4.291) 4.494 46.597 ( 6.907 2.334 -3.353) 8.025 90.735 ( -11.516 -0.445 -2.857) 11.873 91.142 ( -11.124 -1.111 4.180) 11.935 91.277 ( 5.087 0.774 -1.858) 5.470 92.642 ( -4.211 5.535 7.802) 10.452 ======================= Grid point 333 (164/196) ======================= q-point: (-0.50 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( 8.905 10.194 7.205) 15.334 3.141 ( 8.817 13.033 1.342) 15.792 3.531 ( 2.608 2.594 2.897) 4.682 3.872 ( 10.081 17.509 -5.417) 20.917 4.047 ( -0.484 11.239 4.089) 11.970 4.442 ( 7.639 10.359 -0.026) 12.871 4.789 ( -0.459 -11.181 -2.474) 11.460 5.173 ( 7.085 13.212 -12.235) 19.351 5.492 ( -3.247 -1.262 -0.002) 3.483 6.133 ( -1.469 1.792 -6.016) 6.446 6.236 ( -8.646 -12.732 1.908) 15.508 6.328 ( -15.298 -6.423 5.982) 17.637 6.808 ( -8.508 3.739 18.077) 20.326 7.404 ( -2.434 11.644 -1.061) 11.943 8.084 ( 2.709 -5.542 -1.850) 6.440 8.377 ( 11.841 2.582 -1.782) 12.250 9.013 ( -6.306 -8.438 -4.443) 11.432 9.551 ( -2.290 1.488 -2.096) 3.443 9.740 ( -0.935 2.397 1.338) 2.900 10.105 ( 3.565 6.136 -3.345) 7.846 10.637 ( -1.805 -5.859 -5.587) 8.295 10.930 ( -12.086 -3.014 8.875) 15.294 11.290 ( 7.354 -3.693 4.873) 9.564 11.798 ( -4.066 -1.546 -0.557) 4.385 12.104 ( -0.701 -1.973 -0.625) 2.185 12.395 ( 0.970 -1.866 -8.427) 8.685 15.141 ( 15.697 5.282 -1.076) 16.597 15.416 ( 3.675 2.932 2.857) 5.502 17.598 ( 6.107 3.707 -4.491) 8.438 18.035 ( 1.331 2.811 0.109) 3.112 18.247 ( -4.282 -3.733 -3.162) 6.501 18.317 ( -6.987 -1.869 3.505) 8.037 18.811 ( -14.221 -6.108 -0.133) 15.478 18.902 ( -19.293 -0.439 0.648) 19.309 22.548 ( 3.278 -1.625 -0.502) 3.693 22.988 ( -4.566 -5.118 -1.204) 6.964 28.461 ( -5.861 -0.073 4.993) 7.700 28.935 ( -1.561 0.108 3.374) 3.719 29.069 ( 1.472 -2.744 0.026) 3.114 29.731 ( 0.463 0.152 7.944) 7.959 30.357 ( -0.940 1.859 4.996) 5.413 30.438 ( 7.798 -0.655 -6.064) 9.900 31.307 ( -9.396 -4.304 2.714) 10.685 31.841 ( -0.832 2.005 -12.023) 12.217 33.461 ( 5.881 5.840 0.969) 8.345 33.506 ( 3.828 8.488 -4.267) 10.242 35.070 ( 0.490 -3.423 3.958) 5.256 35.810 ( -8.539 -4.671 -0.464) 9.744 46.323 ( 0.984 0.932 4.812) 4.999 46.620 ( 5.214 4.240 -3.939) 7.790 90.548 ( -11.839 -1.001 -2.351) 12.111 90.940 ( -18.862 -3.014 0.595) 19.110 91.376 ( 7.814 2.383 2.938) 8.682 92.506 ( -6.950 6.166 -0.146) 9.292 ======================= Grid point 334 (165/196) ======================= q-point: (-0.40 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.584 ( 4.763 8.547 14.367) 17.382 3.017 ( 3.232 15.791 -2.105) 16.256 3.518 ( 6.515 19.857 1.580) 20.958 3.772 ( 0.351 5.563 2.569) 6.137 3.944 ( 2.915 10.868 2.375) 11.499 4.318 ( -3.058 14.420 0.966) 14.772 4.927 ( 5.050 -3.821 -10.628) 12.372 5.016 ( 5.065 8.393 -6.940) 12.011 5.340 ( -13.823 4.715 4.110) 15.172 5.605 ( -26.490 17.343 6.015) 32.229 6.339 ( -0.724 -9.042 -3.738) 9.811 6.516 ( 3.082 -16.893 -1.595) 17.245 6.871 ( 1.046 3.061 15.954) 16.278 7.226 ( 1.095 11.581 -3.155) 12.053 8.131 ( -1.181 -2.589 -1.160) 3.073 8.493 ( 6.120 1.113 -1.802) 6.477 8.973 ( -5.486 -5.003 -1.461) 7.567 9.510 ( 1.740 2.276 1.541) 3.253 9.730 ( -1.052 -2.478 -1.917) 3.305 10.067 ( 2.428 4.239 -1.103) 5.008 10.642 ( -1.975 -4.649 -5.927) 7.787 10.824 ( -15.811 -4.391 8.282) 18.381 11.466 ( 4.125 -4.233 4.718) 7.563 11.770 ( -0.740 -3.021 -3.630) 4.780 12.129 ( 0.023 -3.237 -0.973) 3.381 12.372 ( 1.843 -2.181 -10.443) 10.827 15.300 ( 16.376 5.111 -2.826) 17.387 15.478 ( 6.349 4.373 3.664) 8.536 17.643 ( 8.135 1.434 -3.155) 8.843 18.005 ( -0.327 2.754 -0.251) 2.785 18.216 ( -5.144 -3.684 -1.556) 6.516 18.240 ( -6.479 -1.703 0.809) 6.748 18.562 ( -19.044 2.715 -0.226) 19.238 18.688 ( -19.070 -7.793 1.799) 20.679 22.631 ( 4.785 -2.128 0.079) 5.238 23.004 ( -3.751 -7.626 -1.573) 8.643 28.484 ( 1.499 0.448 11.705) 11.809 28.952 ( 0.106 -0.808 3.246) 3.347 29.115 ( 0.426 -2.407 -0.849) 2.588 29.742 ( -4.448 -0.412 2.620) 5.179 30.378 ( 1.076 1.498 6.496) 6.753 30.525 ( 8.123 -0.455 -5.416) 9.774 31.243 ( -9.311 -4.507 3.157) 10.815 31.702 ( -2.562 1.433 -12.423) 12.765 33.395 ( -4.817 10.938 10.115) 15.657 33.438 ( 9.348 8.926 -12.845) 18.222 35.177 ( 4.228 -4.773 2.756) 6.946 35.772 ( -8.102 -8.628 0.037) 11.836 46.346 ( 0.247 2.742 5.328) 5.998 46.589 ( 3.386 5.757 -4.726) 8.182 90.382 ( -9.543 -1.007 -2.052) 9.813 90.688 ( -20.122 -3.799 -0.461) 20.482 91.477 ( 6.779 3.782 5.332) 9.417 92.291 ( -7.582 6.757 -5.674) 11.634 ======================= Grid point 335 (166/196) ======================= q-point: (-0.30 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.589 ( -5.991 9.348 20.016) 22.889 2.876 ( 5.052 11.059 -6.881) 13.970 3.281 ( 2.801 29.241 7.334) 30.277 3.679 ( -2.875 9.662 -1.927) 10.263 3.913 ( 6.885 10.195 -1.016) 12.344 4.042 ( -9.574 12.101 3.793) 15.890 4.740 ( 6.374 23.851 -8.467) 26.100 4.875 ( -22.165 18.281 8.277) 29.900 5.163 ( 3.187 -9.229 -2.082) 9.983 5.321 ( -1.345 2.120 -1.883) 3.139 6.407 ( -3.727 -7.352 1.384) 8.358 6.671 ( 1.453 -8.348 -10.820) 13.743 6.940 ( -1.657 5.171 15.243) 16.182 7.123 ( 6.624 8.271 -4.810) 11.638 8.130 ( 0.793 0.124 0.177) 0.822 8.432 ( -8.938 0.169 -4.276) 9.910 9.065 ( 9.017 -2.373 8.072) 12.333 9.580 ( 6.200 -0.914 2.603) 6.786 9.714 ( -6.219 -5.429 -3.312) 8.895 10.038 ( 0.661 2.259 -3.947) 4.596 10.577 ( -9.780 -2.695 4.202) 10.980 10.749 ( -5.626 -6.079 -2.630) 8.690 11.590 ( 0.282 -4.933 5.143) 7.132 11.806 ( 2.913 -5.348 -7.003) 9.280 12.166 ( -0.011 -3.234 0.052) 3.234 12.348 ( 0.586 -2.087 -8.786) 9.050 15.449 ( 12.460 5.091 -1.900) 13.594 15.517 ( 4.042 4.771 2.042) 6.578 17.762 ( 11.284 -0.656 -2.769) 11.637 17.956 ( -4.966 0.479 1.337) 5.165 18.105 ( -6.986 -0.055 0.217) 6.989 18.257 ( 0.173 -1.548 -0.761) 1.733 18.270 ( -13.106 0.405 -0.344) 13.117 18.498 ( -16.761 -3.129 1.485) 17.115 22.748 ( 5.829 -2.956 1.473) 6.699 23.018 ( -6.055 -7.581 -2.388) 9.992 28.671 ( 9.685 -0.586 14.832) 17.724 29.007 ( 1.998 -1.218 3.124) 3.903 29.131 ( 0.200 -1.731 -0.785) 1.911 29.653 ( -8.915 -1.981 -3.182) 9.672 30.436 ( 1.228 0.719 7.356) 7.493 30.601 ( 6.456 0.070 -5.423) 8.432 31.196 ( -7.566 -3.191 6.122) 10.242 31.556 ( -2.580 0.703 -12.602) 12.882 33.216 ( -9.378 12.846 11.873) 19.847 33.356 ( 11.443 11.583 -15.387) 22.402 35.371 ( 7.784 -7.704 3.906) 11.628 35.766 ( -9.808 -11.317 -0.633) 14.989 46.337 ( -0.774 4.445 5.705) 7.273 46.513 ( 2.036 6.373 -5.467) 8.640 90.274 ( -3.621 -0.570 -1.763) 4.067 90.442 ( -17.248 -2.767 -0.248) 17.470 91.557 ( 5.340 5.349 7.082) 10.358 92.037 ( -6.481 7.557 -8.888) 13.346 ======================= Grid point 336 (167/196) ======================= q-point: (-0.20 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.510 ( -7.741 7.838 18.730) 21.729 2.730 ( -3.172 12.787 2.179) 13.354 3.060 ( 11.323 28.679 7.975) 31.848 3.355 ( -1.302 19.311 -16.648) 25.530 3.802 ( -5.986 7.239 7.923) 12.288 3.944 ( 9.452 8.847 -5.607) 14.109 4.277 ( -22.652 24.415 19.507) 38.597 4.641 ( 18.211 20.373 -13.187) 30.342 5.308 ( 0.346 -4.849 -3.324) 5.889 5.330 ( 5.146 -7.357 -4.227) 9.923 6.423 ( -6.771 -2.872 7.569) 10.554 6.634 ( -2.393 -0.890 -10.540) 10.845 6.923 ( -0.787 6.164 8.002) 10.132 7.091 ( 5.923 8.152 -6.479) 11.980 8.191 ( 6.216 -0.118 2.603) 6.740 8.268 ( -6.224 -0.240 -4.227) 7.528 9.340 ( 5.376 -5.245 13.998) 15.885 9.599 ( -11.152 -4.461 -6.315) 13.570 9.740 ( 7.201 -2.557 5.781) 9.582 9.986 ( 4.369 -0.474 -12.523) 13.271 10.573 ( -3.883 -4.916 8.891) 10.876 10.736 ( 0.631 -3.108 -5.975) 6.765 11.688 ( -3.191 -6.798 7.083) 10.323 11.864 ( 1.697 -6.847 -8.915) 11.368 12.215 ( -0.386 -2.946 3.032) 4.245 12.313 ( -0.989 -1.743 -5.830) 6.165 15.427 ( -5.022 6.008 5.453) 9.542 15.551 ( 5.806 3.242 -6.030) 8.977 17.829 ( -14.325 -1.095 6.033) 15.582 17.943 ( 13.751 -1.045 -4.234) 14.426 18.063 ( -11.139 0.520 1.839) 11.302 18.117 ( 10.269 0.881 -2.878) 10.701 18.306 ( -6.572 0.196 2.747) 7.125 18.362 ( 5.725 0.027 -2.395) 6.206 22.902 ( 6.319 -3.956 3.527) 8.248 22.971 ( -8.532 -5.366 -2.740) 10.445 28.918 ( 6.663 -1.638 7.335) 10.044 29.022 ( -2.306 -0.733 -2.825) 3.720 29.294 ( 15.498 -4.319 8.408) 18.153 29.481 ( -12.497 -2.774 -8.285) 15.248 30.487 ( -1.096 0.161 6.672) 6.763 30.622 ( 2.645 0.843 -6.136) 6.735 31.197 ( -4.209 -1.074 10.599) 11.455 31.440 ( 0.436 -0.249 -11.688) 11.699 32.990 ( -9.066 12.390 10.700) 18.714 33.267 ( 13.105 13.445 -15.741) 24.501 35.619 ( -3.221 -10.974 9.356) 14.776 35.771 ( -1.280 -11.411 -4.389) 12.293 46.296 ( -1.764 5.439 5.759) 8.116 46.419 ( 1.694 5.862 -5.705) 8.353 90.268 ( -7.743 -0.848 0.728) 7.824 90.286 ( 6.186 -0.618 -0.976) 6.293 91.597 ( 1.920 6.999 8.802) 11.409 91.797 ( -2.478 7.375 -10.035) 12.698 ======================= Grid point 337 (168/196) ======================= q-point: (-0.10 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( -7.030 19.434 9.602) 22.788 2.651 ( 2.884 2.822 13.441) 14.033 2.999 ( 17.408 17.073 -6.017) 25.115 3.170 ( 17.303 13.072 -5.734) 22.431 3.600 ( -12.010 11.551 6.613) 17.927 3.851 ( -11.093 17.971 12.261) 24.420 3.970 ( 8.925 6.000 -5.570) 12.112 4.594 ( 20.993 20.937 -10.307) 31.389 5.382 ( 2.770 -7.919 -4.819) 9.675 5.451 ( 5.114 -6.531 -7.274) 11.033 6.410 ( -3.895 4.152 11.916) 13.206 6.525 ( -4.898 -0.167 -0.020) 4.900 6.835 ( -2.373 8.696 -4.336) 10.003 7.041 ( 7.200 6.263 -2.843) 9.957 8.187 ( -1.122 -0.838 -4.340) 4.561 8.352 ( 10.137 -0.032 2.849) 10.530 9.285 ( -18.701 -5.088 -1.888) 19.472 9.613 ( -1.787 -3.770 3.729) 5.596 9.910 ( 6.925 0.088 4.807) 8.431 10.073 ( 12.722 -8.892 -13.877) 20.821 10.643 ( -1.440 -3.252 4.730) 5.918 10.808 ( 9.335 -0.611 -0.147) 9.357 11.745 ( -8.437 -6.918 6.623) 12.763 11.892 ( -3.246 -6.512 -4.512) 8.561 12.250 ( -2.449 -2.863 1.244) 3.968 12.301 ( -0.262 -1.306 0.198) 1.346 15.281 ( -11.593 2.857 5.956) 13.343 15.488 ( -0.954 3.676 -6.344) 7.394 17.687 ( -10.126 -0.620 4.945) 11.286 17.945 ( -3.333 1.515 -0.060) 3.661 18.130 ( 11.864 -0.133 -1.883) 12.013 18.248 ( -2.867 -1.262 2.615) 4.081 18.294 ( 14.046 -0.007 -2.066) 14.197 18.525 ( 18.977 2.798 -0.518) 19.189 22.869 ( -9.019 -2.977 -2.341) 9.781 23.093 ( 6.323 -5.200 6.801) 10.643 28.952 ( -4.391 -1.858 -6.548) 8.100 29.028 ( 2.252 -0.675 2.855) 3.699 29.240 ( -11.449 -0.095 -9.988) 15.194 29.680 ( 15.850 -5.354 1.147) 16.770 30.483 ( -4.309 -0.060 3.674) 5.662 30.584 ( 0.055 0.983 -5.339) 5.429 31.241 ( -1.575 0.295 12.281) 12.385 31.451 ( 8.746 -3.138 -7.485) 11.932 32.825 ( -4.185 8.158 8.894) 12.774 33.180 ( 14.354 14.358 -15.800) 25.726 35.587 ( -19.317 -10.555 4.416) 22.451 36.019 ( 8.281 -10.297 4.311) 13.899 46.237 ( -2.238 5.237 5.205) 7.715 46.344 ( 2.590 4.344 -5.060) 7.154 90.267 ( 6.117 -0.837 0.404) 6.187 90.492 ( 18.262 -2.857 2.229) 18.618 91.521 ( -5.196 5.971 1.549) 8.065 91.686 ( 5.523 8.043 -0.860) 9.795 ======================= Grid point 341 (169/196) ======================= q-point: ( 0.30 0.30 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.719 ( 12.159 0.000 -6.937) 13.999 2.919 ( 5.804 0.000 11.103) 12.528 3.822 ( 9.223 0.000 -13.675) 16.494 3.847 ( 6.847 0.000 4.475) 8.180 4.528 ( 18.691 0.000 -7.375) 20.093 4.657 ( -8.199 -0.000 10.429) 13.266 4.760 ( 8.519 0.000 -4.690) 9.725 4.767 ( 21.741 0.000 1.699) 21.808 5.517 ( -2.664 -0.000 -1.278) 2.955 5.574 ( 10.893 0.000 -9.808) 14.658 6.171 ( 0.730 0.000 -0.772) 1.062 6.448 ( 2.199 0.000 3.439) 4.082 7.249 ( -33.210 -0.000 13.908) 36.005 7.683 ( -5.246 -0.000 -0.576) 5.278 7.970 ( 6.018 0.000 1.341) 6.166 8.212 ( 9.582 0.000 1.896) 9.768 8.936 ( -5.467 -0.000 -6.613) 8.580 9.612 ( -4.024 -0.000 -8.386) 9.301 9.856 ( -0.287 -0.000 5.915) 5.922 10.259 ( 5.883 0.000 -10.702) 12.213 10.531 ( -6.917 -0.000 3.954) 7.967 10.979 ( -6.890 -0.000 1.845) 7.133 11.059 ( 5.433 0.000 4.645) 7.148 11.837 ( -4.066 -0.000 0.849) 4.154 12.111 ( -2.484 -0.000 -0.816) 2.615 12.391 ( 0.598 0.000 -2.660) 2.726 15.025 ( 12.563 0.000 1.286) 12.628 15.461 ( -1.448 -0.000 3.308) 3.611 17.704 ( 4.657 0.000 -7.813) 9.096 18.015 ( 3.050 0.000 -3.138) 4.376 18.280 ( -4.361 -0.000 6.396) 7.741 18.297 ( -2.763 -0.000 0.365) 2.787 18.828 ( -10.699 -0.000 -1.466) 10.799 19.148 ( -12.302 -0.000 1.368) 12.378 22.484 ( 0.731 0.000 -0.287) 0.785 23.032 ( -10.497 -0.000 -1.377) 10.587 28.570 ( -10.674 -0.000 -0.975) 10.718 28.937 ( 3.603 0.000 2.524) 4.399 28.997 ( -4.960 -0.000 1.881) 5.305 29.624 ( 3.840 0.000 12.220) 12.809 30.362 ( 6.804 0.000 -7.779) 10.334 30.392 ( -2.463 -0.000 4.385) 5.029 31.332 ( -8.512 -0.000 4.015) 9.412 31.976 ( 1.107 0.000 -12.239) 12.289 33.419 ( 13.893 0.000 -7.685) 15.877 33.644 ( 5.888 0.000 1.628) 6.109 34.983 ( -3.664 -0.000 6.625) 7.571 35.904 ( -12.487 -0.000 -0.312) 12.491 46.269 ( 2.229 0.000 4.327) 4.867 46.628 ( 7.593 0.000 -3.231) 8.252 90.730 ( -11.905 -0.000 -3.065) 12.293 91.130 ( -12.802 -0.000 4.684) 13.632 91.287 ( 6.965 0.000 -2.137) 7.286 92.721 ( -5.875 -0.000 10.207) 11.777 ======================= Grid point 342 (170/196) ======================= q-point: ( 0.40 0.30 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.806 ( 11.539 11.872 4.492) 17.154 3.173 ( 10.840 -8.393 6.253) 15.068 3.711 ( 1.044 13.247 -5.539) 14.396 4.049 ( 6.607 -6.549 0.656) 9.326 4.515 ( 3.137 10.355 -2.105) 11.023 4.606 ( 0.810 11.868 -1.157) 11.952 4.711 ( 10.163 6.353 -4.356) 12.753 5.244 ( 11.869 -14.125 -4.293) 18.942 5.469 ( 1.546 6.482 0.188) 6.666 5.745 ( 4.400 -14.704 -0.708) 15.364 6.202 ( 5.784 1.673 -5.599) 8.222 6.360 ( -22.443 1.432 4.682) 22.971 6.878 ( -18.133 1.706 17.226) 25.069 7.568 ( -6.726 1.237 -1.330) 6.967 8.052 ( 5.774 2.275 0.176) 6.209 8.409 ( 12.776 0.050 -0.658) 12.793 8.839 ( -5.657 -4.295 -3.885) 8.096 9.519 ( -2.718 -1.476 -5.809) 6.581 9.856 ( -2.181 3.504 6.413) 7.626 10.231 ( 4.645 3.269 -11.034) 12.410 10.492 ( -4.081 -4.187 -1.210) 5.971 10.872 ( -12.417 -1.241 6.742) 14.183 11.230 ( 8.742 -1.140 6.894) 11.192 11.767 ( -5.440 -0.725 -0.319) 5.498 12.077 ( -1.725 -0.372 -0.227) 1.779 12.354 ( -0.206 -1.007 -8.503) 8.565 15.256 ( 18.198 2.838 0.562) 18.426 15.471 ( 2.086 1.167 2.393) 3.382 17.707 ( 6.436 3.814 -6.873) 10.159 18.041 ( 1.103 -2.760 -3.030) 4.245 18.216 ( -4.733 2.434 1.861) 5.639 18.275 ( -5.944 -1.642 3.390) 7.037 18.632 ( -17.462 -5.257 0.323) 18.239 18.924 ( -17.525 0.641 -0.193) 17.538 22.515 ( 2.738 -0.785 0.038) 2.848 22.903 ( -5.942 -1.661 -2.391) 6.617 28.464 ( -5.319 0.118 5.684) 7.785 28.948 ( -2.063 0.786 2.208) 3.122 29.006 ( 1.235 -1.917 1.321) 2.635 29.729 ( -1.203 -0.126 9.980) 10.053 30.392 ( -0.900 0.819 4.420) 4.584 30.427 ( 8.528 -0.278 -7.095) 11.097 31.231 ( -8.935 -1.561 2.346) 9.368 31.874 ( -1.750 0.609 -12.840) 12.973 33.550 ( 11.658 1.661 -6.908) 13.653 33.688 ( 1.635 4.308 2.983) 5.489 35.006 ( -0.755 -1.372 6.080) 6.278 35.731 ( -10.336 -1.577 -1.818) 10.613 46.340 ( 2.680 0.362 4.970) 5.658 46.696 ( 6.046 1.590 -3.763) 7.296 90.531 ( -11.680 -0.333 -2.601) 11.971 90.900 ( -18.836 -0.560 1.710) 18.921 91.417 ( 8.724 0.840 2.717) 9.176 92.630 ( -8.971 2.877 2.430) 9.729 ======================= Grid point 343 (171/196) ======================= q-point: (-0.50 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.855 ( 9.516 12.475 8.218) 17.712 3.458 ( 7.295 17.414 -1.951) 18.981 3.504 ( 1.993 -8.117 2.996) 8.879 4.138 ( -2.272 2.745 6.268) 7.210 4.351 ( 10.131 26.239 -5.077) 28.581 4.617 ( 0.416 -8.537 -3.400) 9.198 4.669 ( 3.969 8.945 -0.558) 9.802 5.301 ( 3.225 6.005 -10.991) 12.932 5.419 ( -9.515 1.063 2.486) 9.891 5.913 ( -21.957 0.035 3.925) 22.306 6.050 ( -4.125 -12.333 10.394) 16.648 6.235 ( 11.727 2.362 -9.071) 15.012 6.902 ( 0.955 -0.703 12.237) 12.295 7.436 ( -4.983 3.853 -1.816) 6.555 8.101 ( 4.472 1.249 -0.841) 4.718 8.524 ( 3.164 0.870 -3.084) 4.503 8.835 ( 0.271 -4.908 0.901) 4.997 9.476 ( -2.013 -2.883 -4.068) 5.377 9.814 ( -1.579 5.673 6.917) 9.084 10.173 ( 3.208 3.765 -8.357) 9.711 10.490 ( -0.627 -6.143 -7.152) 9.449 10.726 ( -19.405 -3.162 10.256) 22.175 11.404 ( 5.341 -0.839 6.560) 8.501 11.708 ( -2.626 -1.903 -2.621) 4.170 12.070 ( -0.607 -1.404 0.230) 1.547 12.307 ( 1.136 -2.336 -11.037) 11.339 15.446 ( 14.165 5.692 -1.359) 15.326 15.566 ( 10.134 1.972 2.479) 10.618 17.713 ( 7.171 3.974 -4.871) 9.536 18.072 ( -0.843 -1.995 0.015) 2.166 18.109 ( -5.574 0.366 -2.738) 6.221 18.199 ( -8.143 -1.380 3.034) 8.799 18.481 ( -15.654 -8.060 2.231) 17.748 18.619 ( -19.548 1.659 -0.958) 19.642 22.581 ( 3.762 -1.604 0.289) 4.100 22.857 ( -3.209 -3.957 -2.227) 5.561 28.497 ( 1.877 0.507 11.692) 11.853 28.941 ( -0.336 -0.006 2.664) 2.685 29.050 ( 0.187 -2.424 0.034) 2.431 29.726 ( -6.751 -0.643 3.820) 7.784 30.413 ( 0.794 1.155 5.114) 5.303 30.514 ( 9.002 -0.410 -6.826) 11.305 31.150 ( -7.868 -2.612 3.515) 9.005 31.727 ( -3.668 0.582 -13.285) 13.795 33.615 ( 9.175 4.787 -7.184) 12.598 33.639 ( -1.186 7.559 4.122) 8.691 35.080 ( 1.582 -2.748 5.445) 6.301 35.613 ( -8.360 -4.036 -1.944) 9.484 46.405 ( 2.289 1.693 5.624) 6.304 46.708 ( 3.806 3.424 -4.540) 6.842 90.362 ( -8.723 -0.472 -2.248) 9.020 90.634 ( -18.480 -0.936 0.826) 18.522 91.554 ( 8.038 2.152 5.370) 9.904 92.440 ( -9.133 4.530 -3.357) 10.733 ======================= Grid point 344 (172/196) ======================= q-point: (-0.40 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.874 ( 3.250 12.438 11.293) 17.111 3.214 ( 1.136 15.016 -6.580) 16.433 3.730 ( 10.302 0.622 2.090) 10.530 3.973 ( -11.829 15.571 9.443) 21.715 4.197 ( 9.906 15.407 -2.476) 18.483 4.407 ( -6.653 13.949 -2.283) 15.622 4.870 ( 7.970 -9.826 -0.716) 12.672 5.173 ( -4.012 8.627 -3.884) 10.276 5.228 ( -3.615 6.619 2.230) 7.864 5.561 ( -12.170 12.964 -1.977) 17.891 6.202 ( -3.822 -8.049 7.728) 11.795 6.399 ( 9.247 -8.376 -8.648) 15.181 7.014 ( 1.785 0.658 10.716) 10.883 7.308 ( -1.925 4.537 -3.024) 5.782 8.145 ( 4.497 1.601 -0.343) 4.786 8.434 ( -8.564 0.099 -4.233) 9.554 8.991 ( 9.353 -2.874 5.699) 11.323 9.472 ( -0.649 -5.149 -6.209) 8.093 9.770 ( -1.577 6.309 8.099) 10.387 10.111 ( 1.779 3.337 -7.119) 8.061 10.491 ( -10.036 -4.221 1.050) 10.938 10.574 ( -7.743 -7.082 -0.071) 10.493 11.506 ( 0.593 -1.464 6.108) 6.309 11.704 ( 1.624 -2.812 -5.180) 6.114 12.095 ( -0.101 -2.300 1.192) 2.593 12.283 ( 1.346 -2.788 -10.333) 10.787 15.566 ( 12.047 4.258 -1.663) 12.885 15.664 ( 5.468 5.768 1.594) 8.106 17.767 ( 9.004 1.414 -2.592) 9.476 17.971 ( -10.303 0.581 4.052) 11.086 18.072 ( -2.773 -2.560 -2.339) 4.440 18.198 ( 2.421 -2.761 -0.988) 3.802 18.284 ( -16.602 0.151 -1.023) 16.635 18.400 ( -11.601 -3.725 2.094) 12.363 22.673 ( 4.279 -2.771 0.928) 5.182 22.854 ( -3.455 -5.168 -1.991) 6.527 28.671 ( 8.621 0.451 14.575) 16.940 28.981 ( 1.819 -0.792 3.599) 4.110 29.071 ( -0.887 -2.643 -0.709) 2.876 29.606 ( -10.619 -1.608 -3.873) 11.417 30.455 ( 0.573 0.744 5.977) 6.051 30.596 ( 7.527 -0.412 -6.966) 10.264 31.122 ( -5.211 -2.485 7.156) 9.194 31.566 ( -3.757 0.148 -13.419) 13.936 33.515 ( -6.778 10.189 9.108) 15.255 33.611 ( 11.239 8.044 -12.711) 18.777 35.209 ( 3.962 -4.909 5.632) 8.456 35.546 ( -7.836 -6.192 -1.809) 10.149 46.441 ( 1.137 3.512 6.088) 7.119 46.659 ( 1.663 4.857 -5.345) 7.411 90.263 ( -2.747 -0.280 -1.835) 3.315 90.401 ( -14.286 -0.781 0.688) 14.324 91.678 ( 7.349 3.956 7.213) 11.031 92.205 ( -8.131 5.518 -7.113) 12.131 ======================= Grid point 345 (173/196) ======================= q-point: (-0.30 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.781 ( -4.597 13.664 13.804) 19.960 3.045 ( 6.706 12.124 -9.689) 16.906 3.655 ( -6.600 17.653 8.535) 20.689 3.824 ( 10.498 11.101 -5.990) 16.411 4.019 ( -14.519 12.405 9.707) 21.422 4.230 ( 14.027 13.626 -9.511) 21.746 4.857 ( -17.555 17.044 10.803) 26.747 5.064 ( 9.174 8.427 -7.954) 14.780 5.160 ( 2.831 -2.334 4.486) 5.795 5.320 ( 4.959 7.349 -9.705) 13.144 6.274 ( -8.226 -7.298 10.622) 15.289 6.522 ( 4.207 -6.433 -10.824) 13.276 7.064 ( -2.477 4.028 9.996) 11.058 7.243 ( 4.060 2.973 -5.726) 7.623 8.204 ( 5.250 1.430 1.763) 5.720 8.270 ( -6.021 0.613 -3.896) 7.198 9.216 ( 3.077 -3.923 9.704) 10.910 9.456 ( -1.778 -6.133 -12.555) 14.086 9.754 ( -1.139 3.349 12.897) 13.373 10.030 ( 3.881 3.489 -12.349) 13.406 10.429 ( -8.940 -6.294 10.914) 15.449 10.631 ( 5.909 -5.048 -7.627) 10.889 11.562 ( -2.883 -3.047 6.857) 8.038 11.731 ( 2.118 -3.586 -7.774) 8.819 12.140 ( -0.856 -2.868 3.477) 4.588 12.262 ( 0.811 -2.271 -8.104) 8.456 15.589 ( -6.336 6.183 2.452) 9.187 15.649 ( 6.850 4.436 -3.024) 8.703 17.816 ( -13.768 0.044 6.413) 15.188 17.920 ( 13.131 -0.547 -2.863) 13.451 18.059 ( -9.777 -0.747 1.226) 9.881 18.113 ( 8.415 -1.119 -3.642) 9.237 18.290 ( -9.292 -1.571 2.027) 9.639 18.332 ( 9.283 -2.201 -1.721) 9.694 22.794 ( 4.173 -4.319 2.164) 6.384 22.839 ( -5.081 -4.735 -2.004) 7.229 28.895 ( 7.145 -0.197 8.458) 11.074 29.005 ( -2.171 -0.611 -2.630) 3.465 29.187 ( 10.199 -3.977 9.731) 14.647 29.412 ( -11.385 -2.516 -9.547) 15.070 30.487 ( -1.996 -0.089 6.095) 6.414 30.632 ( 3.768 0.016 -7.552) 8.440 31.164 ( -1.790 -1.349 11.573) 11.788 31.430 ( -1.285 -0.538 -12.783) 12.859 33.314 ( -9.611 12.390 9.892) 18.540 33.575 ( 12.955 10.246 -14.869) 22.224 35.383 ( -2.386 -7.306 8.734) 11.634 35.522 ( -0.834 -7.993 -3.856) 8.914 46.436 ( -0.500 5.219 6.229) 8.142 46.566 ( 0.440 5.388 -5.869) 7.979 90.253 ( -6.390 -0.309 0.829) 6.451 90.275 ( 5.794 -0.254 -1.148) 5.912 91.770 ( 4.801 6.327 8.931) 11.952 91.967 ( -4.928 5.792 -9.415) 12.102 ======================= Grid point 346 (174/196) ======================= q-point: (-0.20 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.652 ( -4.192 10.335 11.699) 16.163 2.948 ( 9.802 12.575 -7.598) 17.661 3.359 ( -7.257 20.084 -3.951) 21.717 3.661 ( 7.251 16.465 1.196) 18.031 3.855 ( -2.713 9.059 2.107) 9.688 4.191 ( 7.310 11.598 -7.329) 15.546 4.428 ( -11.074 24.134 15.211) 30.602 5.014 ( 2.773 5.272 -0.925) 6.028 5.287 ( 17.718 5.789 -13.073) 22.767 5.331 ( 5.664 -1.795 -2.207) 6.338 6.311 ( -9.038 -8.048 10.667) 16.132 6.563 ( 1.536 -0.588 -0.415) 1.696 7.008 ( -2.950 4.884 3.995) 6.966 7.211 ( 4.609 5.505 -9.443) 11.862 8.168 ( -1.504 -0.541 -2.708) 3.144 8.350 ( 9.303 0.045 3.137) 9.818 9.151 ( -17.388 -4.165 1.244) 17.923 9.528 ( 3.350 -4.193 -0.538) 5.394 9.807 ( 0.719 -3.740 0.337) 3.823 10.022 ( 9.856 2.222 -8.238) 13.036 10.511 ( -2.651 -6.690 9.426) 11.859 10.776 ( 13.429 -1.891 -3.731) 14.065 11.605 ( -4.906 -4.108 8.407) 10.565 11.737 ( -0.885 -4.863 -7.311) 8.825 12.174 ( -2.624 -3.001 2.058) 4.486 12.262 ( 0.925 -1.779 -1.957) 2.802 15.381 ( -13.274 4.993 3.160) 14.530 15.599 ( -1.849 4.706 -4.251) 6.606 17.669 ( -11.272 -0.531 5.487) 12.548 17.974 ( -0.086 1.042 -0.909) 1.386 18.128 ( 10.640 -1.107 -0.989) 10.743 18.209 ( -4.300 -1.240 2.145) 4.963 18.291 ( 15.219 -0.319 -1.102) 15.262 18.535 ( 16.647 -1.993 -1.900) 16.873 22.783 ( -6.917 -3.570 -1.711) 7.970 22.948 ( 4.412 -5.882 3.819) 8.285 28.917 ( -5.199 -0.892 -7.339) 9.038 29.011 ( 2.596 -0.581 2.926) 3.954 29.217 ( -7.649 -1.663 -9.207) 12.085 29.542 ( 16.283 -5.067 7.764) 18.737 30.477 ( -5.301 -0.487 4.501) 6.971 30.601 ( 0.030 0.430 -6.851) 6.864 31.247 ( -0.701 0.176 11.999) 12.021 31.386 ( 4.431 -2.130 -7.441) 8.918 33.086 ( -8.776 11.820 10.004) 17.799 33.521 ( 13.971 11.821 -16.820) 24.856 35.363 ( -14.005 -6.621 5.354) 16.391 35.736 ( 8.782 -11.082 1.474) 14.217 46.386 ( -2.126 6.159 5.527) 8.544 46.465 ( 0.749 4.843 -5.363) 7.265 90.246 ( 4.075 -0.719 0.773) 4.209 90.436 ( 14.898 -1.506 0.246) 14.975 91.685 ( -6.997 6.473 -2.110) 9.762 91.887 ( 7.658 7.495 2.311) 10.962 ======================= Grid point 347 (175/196) ======================= q-point: (-0.10 0.30 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.490 ( -6.247 14.280 5.199) 16.431 2.938 ( 14.099 9.440 -2.465) 17.146 3.060 ( 0.075 2.967 -13.930) 14.243 3.642 ( -6.833 11.985 5.117) 14.715 3.695 ( 15.522 11.815 0.077) 19.507 3.943 ( -11.101 13.109 4.169) 17.677 4.286 ( 13.909 17.808 1.337) 22.635 5.000 ( 4.638 6.949 1.796) 8.546 5.365 ( 3.858 0.850 -4.692) 6.134 5.476 ( 22.182 0.858 -10.220) 24.438 6.401 ( -2.614 -8.481 8.462) 12.262 6.575 ( -0.227 6.354 12.402) 13.937 6.886 ( -1.769 9.983 -7.112) 12.385 7.151 ( 5.841 1.404 -8.726) 10.594 8.165 ( 2.138 0.354 -2.320) 3.175 8.458 ( -2.204 -1.956 2.976) 4.188 9.037 ( -2.702 -4.395 2.296) 5.647 9.520 ( -5.019 -0.051 -2.641) 5.671 9.920 ( 3.621 -10.093 -4.187) 11.511 10.065 ( 2.904 0.247 -5.398) 6.135 10.641 ( 1.669 -5.145 6.401) 8.381 10.987 ( 13.465 0.064 -1.737) 13.576 11.637 ( -3.581 -2.835 4.243) 6.234 11.722 ( -6.584 -4.742 1.566) 8.264 12.186 ( -1.646 -3.017 1.204) 3.641 12.280 ( -2.020 -0.986 2.150) 3.111 15.146 ( -13.992 2.356 3.309) 14.570 15.458 ( -3.995 3.470 -4.137) 6.717 17.580 ( -6.318 -1.804 2.732) 7.116 17.952 ( 0.620 2.226 -1.203) 2.606 18.228 ( 1.400 -2.650 3.388) 4.524 18.272 ( 6.815 0.780 0.309) 6.866 18.522 ( 17.596 1.482 -2.137) 17.787 18.845 ( 20.337 -1.944 0.191) 20.431 22.705 ( -6.716 -2.303 -1.454) 7.247 23.131 ( 3.034 -7.603 6.526) 10.470 28.769 ( -4.790 -1.125 -13.461) 14.332 29.041 ( 0.132 -0.636 -2.088) 2.187 29.127 ( -0.873 0.205 -0.232) 0.926 29.789 ( 5.825 -0.663 -3.063) 6.614 30.420 ( -5.292 -0.891 2.216) 5.806 30.536 ( -2.015 0.232 -5.521) 5.881 31.333 ( 1.598 -0.149 11.387) 11.500 31.505 ( 9.169 -4.747 -1.614) 10.450 32.932 ( -4.213 7.588 9.823) 13.107 33.447 ( 14.049 12.260 -18.619) 26.351 35.265 ( -14.204 -5.412 5.774) 16.260 36.009 ( 4.788 -11.184 3.962) 12.794 46.308 ( -2.533 5.680 4.245) 7.530 46.397 ( 2.080 3.589 -4.054) 5.800 90.399 ( 12.864 -2.227 -0.517) 13.066 90.762 ( 20.319 -5.198 3.859) 21.325 91.482 ( -6.781 4.838 -4.085) 9.277 91.935 ( 8.703 9.265 6.190) 14.139 ======================= Grid point 352 (176/196) ======================= q-point: ( 0.40 0.40 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.143 ( 11.143 0.000 6.886) 13.099 3.254 ( 7.165 0.000 4.962) 8.715 3.835 ( 5.574 0.000 -10.125) 11.558 4.044 ( 0.415 0.000 8.446) 8.456 4.465 ( -2.402 -0.000 3.427) 4.185 4.727 ( 1.796 0.000 -9.388) 9.558 5.002 ( 18.206 0.000 -5.431) 18.999 5.130 ( -9.840 -0.000 -3.576) 10.469 5.531 ( -5.667 -0.000 -9.183) 10.790 5.698 ( 0.883 0.000 14.643) 14.670 5.996 ( -20.404 -0.000 8.147) 21.970 6.337 ( 12.092 0.000 -7.406) 14.180 6.877 ( -0.883 -0.000 11.825) 11.858 7.464 ( -5.822 -0.000 -2.502) 6.337 8.142 ( 4.719 0.000 -1.027) 4.829 8.534 ( 1.573 0.000 -3.806) 4.118 8.764 ( 3.543 0.000 3.446) 4.942 9.434 ( -2.640 -0.000 -3.844) 4.663 9.898 ( -2.579 -0.000 8.964) 9.327 10.235 ( 6.941 0.000 -15.167) 16.680 10.394 ( -3.564 -0.000 -3.555) 5.034 10.680 ( -20.208 -0.000 9.990) 22.543 11.399 ( 6.223 0.000 7.478) 9.729 11.681 ( -3.227 -0.000 -2.128) 3.866 12.054 ( -1.187 -0.000 0.663) 1.360 12.275 ( 1.062 0.000 -11.582) 11.630 15.548 ( 5.672 0.000 1.894) 5.980 15.568 ( 18.846 0.000 -0.538) 18.854 17.796 ( 8.632 0.000 -7.207) 11.245 17.977 ( -3.168 -0.000 -1.658) 3.576 18.177 ( -10.726 -0.000 3.767) 11.368 18.191 ( -4.392 -0.000 0.680) 4.444 18.337 ( -13.601 -0.000 1.818) 13.722 18.641 ( -19.556 -0.000 -1.229) 19.595 22.559 ( 3.270 0.000 0.647) 3.333 22.806 ( -2.983 -0.000 -2.897) 4.158 28.505 ( 2.029 0.000 11.772) 11.946 28.945 ( -0.439 -0.000 1.737) 1.791 29.013 ( -0.016 -0.000 0.940) 0.940 29.717 ( -7.419 -0.000 4.269) 8.559 30.430 ( 0.539 0.000 4.890) 4.920 30.507 ( 9.421 0.000 -7.784) 12.220 31.116 ( -7.450 -0.000 3.837) 8.380 31.734 ( -4.091 -0.000 -13.518) 14.124 33.676 ( 10.213 0.000 -7.103) 12.441 33.742 ( -1.521 -0.000 4.117) 4.389 35.044 ( 0.934 0.000 6.354) 6.422 35.562 ( -8.335 -0.000 -2.746) 8.775 46.427 ( 3.062 0.000 5.714) 6.483 46.753 ( 3.947 0.000 -4.448) 5.947 90.357 ( -8.434 -0.000 -2.234) 8.724 90.624 ( -18.136 -0.000 1.046) 18.166 91.582 ( 8.507 0.000 5.407) 10.079 92.500 ( -10.093 -0.000 -2.583) 10.418 ======================= Grid point 353 (177/196) ======================= q-point: (-0.50 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.192 ( 6.124 11.902 6.393) 14.834 3.427 ( -1.435 -3.328 0.389) 3.645 3.814 ( 15.930 10.196 -3.279) 19.196 4.109 ( -8.040 -2.257 7.370) 11.138 4.572 ( 5.679 -3.099 2.667) 6.998 4.646 ( 4.740 9.531 -9.326) 14.153 4.743 ( -14.777 7.802 5.215) 17.505 5.244 ( -0.629 -2.743 -2.322) 3.649 5.338 ( 0.116 2.377 -8.479) 8.806 5.637 ( -13.453 -4.392 1.394) 14.221 6.073 ( 5.453 -1.139 11.964) 13.198 6.403 ( 9.105 4.851 -7.675) 12.858 6.986 ( 2.442 -1.876 9.704) 10.181 7.352 ( -6.036 0.014 -3.745) 7.103 8.201 ( 6.232 1.827 -1.133) 6.592 8.438 ( -7.783 0.144 -3.148) 8.396 8.937 ( 10.424 -1.204 5.737) 11.960 9.378 ( -2.621 -2.000 -4.563) 5.629 9.916 ( -1.563 3.825 10.708) 11.478 10.209 ( 5.003 4.567 -11.278) 13.156 10.356 ( -0.779 -5.999 -7.581) 9.699 10.437 ( -20.448 -3.004 8.328) 22.282 11.501 ( 0.766 0.453 6.861) 6.919 11.655 ( 1.175 -1.081 -3.172) 3.551 12.054 ( -0.496 -0.857 1.413) 1.726 12.225 ( 2.406 -1.379 -11.653) 11.978 15.651 ( 7.738 2.025 1.809) 8.201 15.773 ( 9.783 2.340 -1.872) 10.232 17.839 ( 6.916 4.057 -3.685) 8.824 17.962 ( -5.653 -3.532 2.017) 6.964 17.998 ( -8.398 -0.755 1.647) 8.592 18.140 ( -2.831 -1.373 -0.114) 3.148 18.257 ( -4.669 -1.486 -0.794) 4.963 18.353 ( -15.378 -0.277 -0.489) 15.388 22.620 ( 2.954 -1.197 1.141) 3.386 22.764 ( -1.941 -1.854 -2.699) 3.807 28.685 ( 8.595 0.407 14.844) 17.158 28.969 ( 1.509 -0.169 3.006) 3.368 29.015 ( -1.288 -1.408 -0.267) 1.927 29.577 ( -11.435 -0.612 -3.821) 12.072 30.471 ( 0.061 0.375 4.901) 4.916 30.585 ( 8.179 -0.288 -8.152) 11.551 31.077 ( -4.055 -0.911 8.070) 9.078 31.566 ( -4.513 -0.039 -13.738) 14.461 33.706 ( -3.973 4.322 5.265) 7.886 33.748 ( 9.044 2.539 -8.368) 12.581 35.126 ( 2.277 -1.642 6.621) 7.192 35.443 ( -6.643 -2.011 -2.935) 7.536 46.505 ( 2.278 1.328 6.273) 6.805 46.746 ( 1.423 1.813 -5.223) 5.709 90.259 ( -2.300 -0.043 -1.794) 2.917 90.391 ( -13.451 -0.123 0.826) 13.477 91.748 ( 8.552 1.440 7.251) 11.305 92.305 ( -9.545 2.095 -6.119) 11.530 ======================= Grid point 354 (178/196) ======================= q-point: (-0.40 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.144 ( 0.035 13.358 8.660) 15.920 3.325 ( 1.830 8.530 -7.783) 11.691 3.915 ( -11.861 2.939 6.564) 13.871 4.010 ( 13.267 7.360 -1.348) 15.232 4.361 ( -9.799 12.245 7.670) 17.458 4.554 ( 6.566 9.819 -9.278) 15.020 4.903 ( 6.434 -6.023 6.593) 11.006 5.090 ( -2.465 -0.169 -8.485) 8.838 5.363 ( -7.577 6.576 4.524) 11.006 5.503 ( 5.892 1.846 -7.129) 9.431 6.169 ( -4.970 0.920 11.828) 12.863 6.421 ( 7.215 0.166 -10.680) 12.890 7.109 ( 1.140 -0.300 9.218) 9.293 7.249 ( -3.422 -1.549 -4.245) 5.668 8.260 ( 2.358 2.478 0.506) 3.458 8.296 ( -3.263 1.086 -2.405) 4.196 9.147 ( 7.134 -1.689 6.358) 9.704 9.324 ( -2.641 -3.844 -9.695) 10.758 9.880 ( -6.363 6.129 12.811) 15.562 10.135 ( 2.939 3.906 -8.869) 10.127 10.262 ( -11.647 -6.213 9.435) 16.226 10.491 ( 11.781 -5.691 -10.094) 16.525 11.526 ( -3.249 -0.155 6.964) 7.686 11.673 ( 2.374 -1.225 -5.163) 5.813 12.079 ( -0.568 -1.733 2.617) 3.190 12.204 ( 2.211 -2.098 -9.859) 10.319 15.713 ( -0.898 3.440 2.451) 4.318 15.768 ( 0.611 4.246 -2.598) 5.015 17.823 ( -13.713 0.289 7.473) 15.620 17.922 ( 11.311 0.930 -1.033) 11.396 18.030 ( -6.099 -1.672 -0.105) 6.325 18.076 ( 6.006 -1.260 -5.121) 7.993 18.235 ( -5.142 -2.291 1.692) 5.878 18.272 ( 5.557 -2.065 -1.764) 6.186 22.697 ( 2.283 -2.987 1.800) 4.168 22.742 ( -2.630 -2.788 -2.375) 4.509 28.904 ( 6.790 0.766 7.723) 10.312 28.989 ( -2.067 -0.709 -2.196) 3.098 29.101 ( 8.865 -2.558 11.499) 14.743 29.359 ( -11.564 -1.553 -10.091) 15.426 30.485 ( -2.698 -0.042 4.879) 5.576 30.628 ( 4.769 -0.250 -8.459) 9.714 31.135 ( -0.151 -0.858 12.352) 12.382 31.415 ( -2.245 -0.513 -13.423) 13.619 33.586 ( -6.967 8.428 6.622) 12.784 33.769 ( 9.620 4.871 -10.740) 15.219 35.248 ( 1.393 -3.446 7.709) 8.558 35.370 ( -3.859 -3.964 -3.416) 6.502 46.545 ( 0.536 3.152 6.483) 7.229 46.678 ( -0.594 3.206 -5.841) 6.690 90.250 ( -5.927 -0.024 0.814) 5.983 90.272 ( 5.593 -0.022 -1.194) 5.719 91.902 ( 7.948 3.751 8.549) 12.261 92.083 ( -7.816 3.219 -8.340) 11.874 ======================= Grid point 355 (179/196) ======================= q-point: (-0.30 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.969 ( -4.631 13.917 4.816) 15.438 3.222 ( 7.506 10.096 -9.244) 15.612 3.735 ( -4.861 4.748 1.754) 7.018 4.034 ( -12.986 13.451 10.534) 21.460 4.138 ( 11.511 15.057 -6.025) 19.888 4.478 ( 5.707 9.145 -5.994) 12.334 4.856 ( -10.081 2.115 1.243) 10.375 5.050 ( -12.090 8.838 2.941) 15.262 5.263 ( 11.925 -2.117 0.947) 12.149 5.618 ( 21.081 10.458 -6.426) 24.394 6.124 ( -11.801 -3.860 11.196) 16.719 6.467 ( 5.448 -5.237 -10.300) 12.775 7.097 ( -5.222 1.986 4.485) 7.165 7.275 ( 3.989 -0.383 -1.739) 4.369 8.165 ( -3.944 0.415 -1.691) 4.312 8.364 ( 6.847 1.044 2.380) 7.323 9.101 ( -12.461 -0.146 -3.323) 12.897 9.394 ( 6.781 -5.331 -1.781) 8.808 9.811 ( -5.178 2.982 8.029) 10.009 10.090 ( 5.918 2.595 -7.929) 10.228 10.331 ( -2.745 -6.916 10.234) 12.653 10.715 ( 18.811 -2.764 -7.051) 20.278 11.533 ( -4.118 -1.628 8.773) 9.827 11.661 ( -0.138 -1.296 -7.659) 7.769 12.107 ( -1.728 -2.090 2.243) 3.519 12.208 ( 1.881 -2.494 -4.739) 5.676 15.527 ( -12.973 6.200 1.658) 14.473 15.706 ( -3.611 3.279 -1.988) 5.267 17.670 ( -11.706 0.711 6.113) 13.225 17.990 ( 1.223 -0.739 0.861) 1.668 18.075 ( 5.289 -1.383 -0.837) 5.531 18.195 ( 1.298 -0.403 -1.103) 1.750 18.276 ( 17.600 -0.863 -0.079) 17.621 18.444 ( 12.061 -4.592 -1.930) 13.049 22.700 ( -4.782 -2.742 -1.532) 5.721 22.807 ( 2.784 -5.007 2.245) 6.154 28.905 ( -5.341 -0.145 -6.385) 8.325 29.000 ( 2.422 -0.264 2.101) 3.217 29.164 ( -6.220 -2.243 -9.748) 11.779 29.436 ( 15.738 -3.180 12.290) 20.220 30.461 ( -5.648 -0.617 4.504) 7.251 30.607 ( 0.526 0.067 -7.955) 7.972 31.250 ( 0.889 0.095 12.262) 12.294 31.338 ( 2.897 -1.600 -9.049) 9.635 33.390 ( -9.022 11.316 7.974) 16.524 33.758 ( 10.263 6.584 -13.501) 18.192 35.252 ( -8.169 -2.421 2.904) 9.001 35.488 ( 6.600 -8.154 2.414) 10.764 46.531 ( -1.887 4.884 5.423) 7.537 46.576 ( -1.051 3.642 -5.174) 6.414 90.233 ( 2.821 -0.265 0.839) 2.955 90.412 ( 13.362 -0.509 -0.398) 13.378 91.831 ( -8.221 4.778 -5.842) 11.160 92.054 ( 9.344 5.412 5.818) 12.266 ======================= Grid point 356 (180/196) ======================= q-point: (-0.20 0.40 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.770 ( -4.035 9.510 -0.894) 10.369 3.131 ( 6.579 8.889 -13.639) 17.559 3.518 ( -7.778 24.439 2.090) 25.732 3.778 ( -3.095 0.419 1.078) 3.304 4.022 ( 0.877 14.229 -4.100) 14.834 4.333 ( -3.759 15.192 0.909) 15.676 4.685 ( -2.896 10.487 8.006) 13.508 4.933 ( -2.860 -4.741 1.783) 5.817 5.402 ( 6.624 2.195 -1.807) 7.208 5.757 ( 24.228 14.518 -6.496) 28.982 6.161 ( -2.466 -9.486 9.280) 13.498 6.579 ( 4.703 -7.033 -2.807) 8.914 7.030 ( -2.265 2.943 2.663) 4.569 7.253 ( 1.912 5.830 -8.254) 10.284 8.142 ( 1.170 -2.226 -1.839) 3.115 8.430 ( -4.819 -0.165 3.810) 6.145 8.943 ( -3.623 -2.171 1.109) 4.367 9.514 ( 2.108 -2.607 -1.165) 3.549 9.762 ( -0.487 -0.181 -1.973) 2.041 10.100 ( 3.064 1.510 -4.918) 5.988 10.475 ( 0.450 -7.065 9.506) 11.852 10.975 ( 16.486 -1.036 -5.481) 17.404 11.579 ( -2.585 -1.494 0.290) 3.000 11.613 ( -1.571 -3.308 3.725) 5.223 12.118 ( -1.267 -2.207 0.594) 2.613 12.244 ( -0.077 -2.018 1.433) 2.476 15.249 ( -14.600 5.716 1.795) 15.781 15.553 ( -6.900 3.564 -3.195) 8.398 17.556 ( -8.137 -0.053 4.480) 9.289 18.023 ( 1.899 3.445 -1.867) 4.354 18.128 ( 0.879 -5.017 4.878) 7.053 18.282 ( 8.040 -0.057 -1.542) 8.187 18.560 ( 18.891 1.454 0.073) 18.947 18.731 ( 18.155 -6.619 -2.104) 19.439 22.644 ( -5.251 -2.251 -1.206) 5.839 22.945 ( 2.683 -6.755 3.642) 8.130 28.751 ( -4.814 -0.279 -11.863) 12.805 29.025 ( 0.670 -0.593 -2.494) 2.650 29.106 ( -0.505 -1.665 -1.524) 2.313 29.754 ( 12.242 -1.788 2.887) 12.704 30.400 ( -7.000 -0.720 3.406) 7.818 30.539 ( -1.920 0.080 -6.510) 6.788 31.310 ( 3.486 -1.424 0.883) 3.868 31.435 ( 4.384 -1.148 7.882) 9.092 33.173 ( -8.472 10.906 9.521) 16.774 33.706 ( 9.503 7.805 -16.550) 20.619 35.177 ( -7.900 -1.768 3.382) 8.774 35.730 ( 6.353 -10.137 3.405) 12.439 46.445 ( -2.547 4.530 -0.446) 5.217 46.496 ( -1.253 4.275 0.500) 4.483 90.351 ( 10.355 -1.420 0.654) 10.473 90.672 ( 18.330 -2.122 0.993) 18.479 91.604 ( -8.050 4.462 -6.085) 11.034 92.157 ( 9.627 8.051 6.382) 14.079 ======================= Grid point 357 (181/196) ======================= q-point: (-0.10 0.40 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( -6.508 8.849 -4.590) 11.905 2.909 ( -5.841 6.593 -17.188) 19.313 3.262 ( 7.317 11.829 -0.229) 13.911 3.717 ( -5.896 9.344 2.975) 11.442 3.860 ( -0.319 1.065 -3.682) 3.847 4.095 ( 1.892 16.097 3.499) 16.581 4.623 ( 3.313 8.596 4.768) 10.373 5.020 ( 0.779 -6.437 1.804) 6.730 5.432 ( 6.590 4.992 -1.967) 8.498 5.874 ( 12.944 7.444 2.798) 15.192 6.392 ( 9.223 -5.164 4.418) 11.456 6.694 ( 2.634 -2.148 -0.007) 3.399 6.974 ( 0.715 12.113 1.854) 12.275 7.151 ( 8.526 -1.515 -15.352) 17.626 8.209 ( 3.991 -0.898 -0.332) 4.105 8.256 ( -19.775 -2.663 3.997) 20.350 9.090 ( 8.075 -6.107 6.890) 12.247 9.476 ( -0.733 5.270 -4.075) 6.702 9.810 ( 1.335 -7.874 -3.051) 8.549 10.047 ( -1.219 2.427 -5.621) 6.242 10.644 ( 2.101 -5.833 6.678) 9.112 11.114 ( 5.647 -0.171 -3.519) 6.656 11.480 ( -9.632 -2.970 -3.951) 10.826 11.750 ( 5.384 -0.661 7.920) 9.599 12.147 ( -0.093 -2.906 1.775) 3.406 12.265 ( -1.386 0.205 4.407) 4.624 15.001 ( -11.363 3.119 0.915) 11.819 15.404 ( -4.270 2.315 -2.521) 5.473 17.495 ( -4.149 -1.463 1.584) 4.676 17.978 ( -0.200 2.392 -0.851) 2.546 18.262 ( 4.456 -2.980 2.803) 6.049 18.371 ( 4.455 0.726 0.786) 4.582 18.801 ( 16.556 2.270 -0.677) 16.724 19.061 ( 14.849 -5.266 -0.414) 15.760 22.589 ( -4.170 -1.566 -0.817) 4.529 23.101 ( 1.054 -7.478 4.939) 9.024 28.639 ( 1.043 -0.611 -10.745) 10.813 29.025 ( 1.951 -0.147 -4.296) 4.720 29.119 ( -0.651 -1.474 1.012) 1.903 29.811 ( -1.612 4.404 -5.713) 7.391 30.353 ( -3.626 -1.677 2.847) 4.906 30.462 ( -1.885 0.169 -5.845) 6.144 31.436 ( 4.126 -1.982 7.954) 9.177 31.577 ( 5.877 -3.231 3.985) 7.801 33.031 ( -4.843 6.560 11.006) 13.698 33.606 ( 8.095 7.654 -19.158) 22.162 35.117 ( -6.020 -0.607 4.785) 7.714 35.956 ( 2.816 -9.499 3.435) 10.486 46.355 ( -2.418 4.153 1.358) 4.993 46.436 ( 0.256 2.821 -1.272) 3.105 90.566 ( 13.532 -2.690 -0.327) 13.801 91.009 ( 17.366 -4.774 3.605) 18.368 91.392 ( -7.890 3.681 -4.881) 9.981 92.235 ( 9.142 8.607 6.228) 14.016 ======================= Grid point 363 (182/196) ======================= q-point: (-0.50 0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.371 ( -1.340 0.000 2.494) 2.831 3.403 ( 3.786 -0.000 1.089) 3.940 3.941 ( -18.000 -0.000 7.797) 19.616 4.128 ( 20.844 -0.000 -9.493) 22.904 4.539 ( -14.349 -0.000 8.291) 16.572 4.702 ( 3.901 -0.000 -7.286) 8.264 4.775 ( 10.949 -0.000 12.874) 16.900 5.081 ( -7.174 -0.000 -14.504) 16.181 5.427 ( -12.595 -0.000 0.488) 12.604 5.468 ( 15.410 -0.000 -2.823) 15.667 6.227 ( 1.432 -0.000 10.779) 10.873 6.456 ( 2.245 -0.000 -9.760) 10.015 7.090 ( 3.822 -0.000 9.490) 10.231 7.220 ( -6.914 -0.000 -4.172) 8.075 8.303 ( -8.182 -0.000 -0.981) 8.241 8.306 ( 6.784 -0.000 -0.534) 6.805 9.125 ( 9.601 -0.000 5.023) 10.835 9.273 ( -4.055 -0.000 -8.021) 8.988 10.025 ( 1.166 -0.000 11.503) 11.562 10.085 ( -21.427 0.000 11.984) 24.551 10.245 ( -3.107 -0.000 -7.326) 7.958 10.388 ( 19.596 0.000 -13.517) 23.806 11.529 ( -3.895 -0.000 6.980) 7.993 11.658 ( 2.581 -0.000 -3.407) 4.275 12.057 ( 0.166 -0.000 1.758) 1.766 12.173 ( 2.459 -0.000 -10.632) 10.912 15.759 ( 1.533 -0.000 3.212) 3.559 15.827 ( -2.248 -0.000 -3.102) 3.831 17.826 ( -12.710 -0.000 8.449) 15.262 17.962 ( 2.782 -0.000 -3.346) 4.352 17.979 ( 7.038 -0.000 2.378) 7.429 18.062 ( 0.980 -0.000 -6.248) 6.324 18.202 ( -2.940 -0.000 1.749) 3.421 18.243 ( 2.748 -0.000 -2.066) 3.438 22.657 ( 1.761 -0.000 1.826) 2.537 22.705 ( -1.958 -0.000 -2.698) 3.333 28.920 ( 7.074 -0.000 6.664) 9.719 28.974 ( -2.445 -0.000 -1.085) 2.675 29.068 ( 8.761 -0.000 11.910) 14.785 29.339 ( -11.893 -0.000 -10.194) 15.664 30.485 ( -2.972 -0.000 4.262) 5.196 30.624 ( 5.194 -0.000 -8.737) 10.164 31.123 ( 0.416 -0.000 12.626) 12.633 31.408 ( -2.588 -0.000 -13.573) 13.818 33.704 ( -4.691 -0.000 3.993) 6.160 33.826 ( 7.065 -0.000 -7.632) 10.400 35.204 ( 2.920 -0.000 7.269) 7.834 35.320 ( -5.112 -0.000 -3.312) 6.091 46.587 ( 0.932 -0.000 6.562) 6.628 46.720 ( -0.990 -0.000 -5.816) 5.900 90.250 ( -5.828 -0.000 0.800) 5.883 90.272 ( 5.535 -0.000 -1.200) 5.663 91.951 ( 9.468 -0.000 8.330) 12.611 92.124 ( -9.254 -0.000 -7.867) 12.146 ======================= Grid point 365 (183/196) ======================= q-point: (-0.40 0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.290 ( -3.781 9.456 -0.854) 10.220 3.427 ( 4.518 4.353 -0.892) 6.337 3.734 ( -14.128 -1.964 3.547) 14.698 4.273 ( 8.302 5.439 -5.297) 11.250 4.453 ( -0.724 4.991 5.427) 7.409 4.637 ( -2.799 3.292 -3.024) 5.274 4.866 ( -4.119 6.036 -3.269) 8.006 5.130 ( 11.934 -9.079 4.226) 15.580 5.230 ( -11.122 2.421 1.636) 11.499 5.710 ( 19.970 -0.243 -3.906) 20.350 6.206 ( -8.011 6.588 8.750) 13.570 6.377 ( -0.903 -1.993 -13.971) 14.141 7.106 ( -4.791 -0.759 -1.885) 5.205 7.234 ( 4.452 -1.543 7.871) 9.173 8.183 ( -6.324 0.684 -0.037) 6.361 8.391 ( 4.302 0.747 1.968) 4.790 9.113 ( -7.353 0.599 -10.296) 12.667 9.291 ( 6.397 -2.345 2.010) 7.104 9.900 ( -10.943 2.828 14.037) 18.021 10.136 ( 0.988 0.759 -0.707) 1.433 10.191 ( 2.179 -3.302 1.401) 4.197 10.652 ( 23.700 -1.668 -9.892) 25.735 11.513 ( -4.846 -0.243 8.508) 9.794 11.653 ( 0.407 0.156 -5.949) 5.965 12.079 ( 0.369 -0.097 1.654) 1.697 12.145 ( 1.438 -1.988 -6.977) 7.395 15.672 ( -10.463 4.660 0.472) 11.463 15.744 ( -6.922 -0.564 0.226) 6.949 17.699 ( -11.610 1.114 8.288) 14.308 17.930 ( -2.536 -2.271 1.425) 3.690 18.104 ( 9.529 2.691 -3.344) 10.451 18.171 ( 8.450 -1.832 -3.256) 9.239 18.249 ( 10.921 -1.053 -0.036) 10.972 18.346 ( 10.660 -2.226 0.106) 10.890 22.655 ( -3.079 -0.739 -2.079) 3.788 22.709 ( 1.489 -2.317 2.183) 3.514 28.905 ( -5.068 0.041 -4.807) 6.985 28.998 ( 2.398 0.068 0.990) 2.595 29.117 ( -6.408 -1.188 -10.563) 12.411 29.382 ( 15.500 -1.042 14.491) 21.245 30.450 ( -5.762 -0.249 4.090) 7.070 30.607 ( 0.943 -0.019 -8.387) 8.440 31.253 ( 2.543 0.141 14.282) 14.508 31.307 ( 1.811 -0.749 -11.790) 11.952 33.616 ( -6.407 5.470 4.179) 9.404 33.854 ( 5.984 1.336 -8.756) 10.689 35.226 ( -4.283 0.073 -1.653) 4.591 35.334 ( 4.203 -3.603 6.096) 8.234 46.620 ( -1.484 1.952 5.758) 6.259 46.639 ( -2.372 1.246 -5.449) 6.073 90.230 ( 2.349 -0.027 0.831) 2.491 90.405 ( 12.832 -0.096 -0.518) 12.843 91.916 ( -8.885 1.750 -8.235) 12.240 92.151 ( 10.571 2.030 8.145) 13.498 ======================= Grid point 366 (184/196) ======================= q-point: (-0.30 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.038 ( -5.775 11.529 -7.300) 14.817 3.405 ( 1.856 10.947 1.283) 11.177 3.628 ( -4.916 -6.802 -6.103) 10.378 4.139 ( -8.248 15.741 4.702) 18.383 4.372 ( 1.045 12.854 -6.643) 14.507 4.576 ( -0.646 -0.643 0.232) 0.941 4.671 ( -8.296 2.059 -0.924) 8.597 5.072 ( -6.293 8.116 9.435) 13.946 5.405 ( 6.432 -3.925 3.254) 8.208 5.998 ( 9.071 -1.396 2.682) 9.562 6.058 ( 6.046 7.849 1.810) 10.072 6.328 ( 1.804 -9.491 -14.975) 17.821 7.066 ( 0.640 -0.316 -2.578) 2.675 7.354 ( 3.502 1.563 5.875) 7.016 8.102 ( -3.455 -0.226 -0.930) 3.585 8.430 ( -3.793 -0.054 5.354) 6.562 8.930 ( -4.061 0.566 -7.605) 8.639 9.413 ( 3.502 -3.726 0.726) 5.164 9.842 ( -3.337 3.659 6.553) 8.214 10.120 ( 3.044 0.452 -5.085) 5.944 10.327 ( 2.560 -4.132 7.822) 9.209 10.936 ( 18.350 -1.764 -8.876) 20.460 11.557 ( 1.278 -1.119 10.916) 11.047 11.567 ( -4.246 0.217 -8.358) 9.378 12.083 ( -0.124 -0.355 -0.390) 0.542 12.179 ( 1.490 -2.890 0.187) 3.257 15.416 ( -14.045 6.786 1.341) 15.656 15.612 ( -8.815 0.555 -1.672) 8.990 17.579 ( -9.028 1.732 6.928) 11.510 17.989 ( -0.699 -5.295 4.935) 7.272 18.129 ( 5.199 4.851 -2.530) 7.548 18.274 ( 8.448 -0.442 -3.120) 9.017 18.537 ( 15.815 -7.999 -2.891) 17.957 18.591 ( 19.530 0.867 1.781) 19.630 22.600 ( -3.865 -1.115 -1.551) 4.311 22.800 ( 2.364 -4.438 2.953) 5.831 28.752 ( -5.337 0.224 -10.768) 12.020 29.014 ( 0.819 -0.257 -3.159) 3.273 29.057 ( 0.390 -1.849 -2.006) 2.756 29.713 ( 14.534 -1.260 6.906) 16.141 30.384 ( -7.345 -0.500 3.912) 8.336 30.541 ( -1.761 0.041 -6.978) 7.197 31.279 ( 4.663 -0.845 -7.866) 9.183 31.420 ( 3.235 -0.290 14.261) 14.626 33.443 ( -8.444 9.271 5.872) 13.847 33.838 ( 4.701 2.691 -11.339) 12.566 35.156 ( -3.466 -0.162 -1.131) 3.649 35.520 ( 5.903 -6.070 6.252) 10.525 46.527 ( -2.953 2.104 -5.408) 6.512 46.598 ( -3.381 3.198 5.365) 7.102 90.328 ( 9.054 -0.491 0.909) 9.113 90.640 ( 17.614 -0.577 0.187) 17.624 91.696 ( -8.849 2.611 -7.684) 12.007 92.329 ( 11.464 5.071 6.975) 14.345 ======================= Grid point 367 (185/196) ======================= q-point: (-0.20 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.741 ( -7.246 8.186 -12.733) 16.782 3.200 ( -7.778 12.080 -3.519) 14.792 3.635 ( -2.113 0.902 -7.103) 7.465 3.770 ( -6.149 14.385 3.511) 16.034 4.105 ( -8.277 12.659 -1.703) 15.220 4.453 ( -5.950 10.479 -0.506) 12.061 4.708 ( 1.957 -6.720 4.842) 8.511 4.951 ( -3.432 8.499 7.141) 11.619 5.506 ( 4.327 -0.776 -0.372) 4.412 5.946 ( -7.581 -1.843 9.190) 12.055 6.316 ( 16.141 -2.359 -3.402) 16.664 6.473 ( 7.646 -10.695 -7.119) 14.951 7.109 ( 13.115 2.489 -7.426) 15.276 7.345 ( 0.177 10.080 2.919) 10.495 8.073 ( -4.590 -4.132 -0.956) 6.250 8.312 ( -12.036 1.992 3.837) 12.789 8.949 ( 5.567 -4.377 1.256) 7.193 9.506 ( 1.883 -3.684 0.392) 4.156 9.779 ( -0.269 5.030 -0.641) 5.078 10.108 ( 0.652 1.874 -4.148) 4.598 10.493 ( 4.000 -5.259 7.943) 10.333 11.088 ( 6.755 -1.825 -5.825) 9.104 11.418 ( -8.208 -1.522 -7.280) 11.076 11.724 ( 7.619 -1.165 7.421) 10.699 12.094 ( 0.645 -1.179 0.240) 1.365 12.247 ( 1.570 -1.454 4.281) 4.786 15.127 ( -13.058 6.176 0.200) 14.447 15.470 ( -5.249 2.408 -2.021) 6.118 17.492 ( -5.853 1.128 4.825) 7.669 18.029 ( -2.441 -0.133 1.609) 2.926 18.189 ( 6.863 -0.881 1.193) 7.021 18.371 ( 5.570 -0.498 -1.384) 5.761 18.816 ( 13.393 -3.484 -0.400) 13.845 18.917 ( 19.169 -3.160 -0.744) 19.442 22.552 ( -3.111 -1.253 -0.930) 3.480 22.933 ( 3.462 -5.520 3.725) 7.505 28.630 ( 0.126 -0.063 -9.774) 9.775 29.019 ( 3.154 -0.269 -4.455) 5.465 29.075 ( -0.552 -1.807 -0.331) 1.918 29.887 ( 5.813 1.697 -4.849) 7.758 30.316 ( -6.000 -1.180 3.995) 7.304 30.468 ( -1.427 0.240 -4.993) 5.198 31.354 ( 7.067 -2.976 -1.849) 7.888 31.560 ( 1.586 0.372 13.273) 13.373 33.242 ( -8.776 9.221 8.698) 15.418 33.753 ( 2.334 3.983 -14.567) 15.281 35.115 ( -1.453 0.086 0.028) 1.456 35.741 ( 6.031 -6.953 5.608) 10.778 46.427 ( -2.023 1.714 -4.415) 5.150 46.527 ( -4.484 3.759 4.245) 7.229 90.513 ( 12.406 -1.440 0.886) 12.520 90.933 ( 18.214 -1.574 1.114) 18.316 91.476 ( -9.070 2.754 -6.179) 11.315 92.456 ( 10.711 8.246 4.613) 14.283 ======================= Grid point 368 (186/196) ======================= q-point: (-0.10 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( -8.202 4.072 -14.016) 16.742 2.823 ( -14.105 12.663 -2.416) 19.109 3.447 ( 2.198 7.475 -4.594) 9.045 3.735 ( -4.597 4.061 0.902) 6.200 3.842 ( -4.481 4.512 2.455) 6.816 4.239 ( -4.328 6.544 -2.842) 8.345 4.796 ( 1.436 8.250 9.495) 12.660 4.932 ( 1.280 -7.663 -2.212) 8.077 5.573 ( 4.815 0.502 -1.472) 5.060 5.990 ( -1.716 -4.433 10.136) 11.196 6.491 ( 1.320 -3.808 -0.065) 4.031 6.618 ( 3.040 -8.369 -7.042) 11.352 7.167 ( -1.655 14.555 -0.468) 14.656 7.318 ( 24.225 3.010 -7.018) 25.400 7.922 ( -21.489 -2.157 4.744) 22.112 8.256 ( 3.110 -0.750 0.017) 3.199 9.145 ( 5.390 -7.272 4.683) 10.192 9.544 ( 1.881 3.288 -0.821) 3.876 9.734 ( -0.128 -1.586 -0.881) 1.819 10.031 ( -1.019 3.917 -5.102) 6.513 10.669 ( 4.447 -3.914 4.342) 7.345 11.129 ( 0.605 -0.792 -1.571) 1.860 11.276 ( -8.249 -2.558 -3.210) 9.213 11.858 ( 4.065 -0.266 1.406) 4.309 12.134 ( 1.303 -1.623 0.402) 2.120 12.323 ( 2.208 0.376 6.456) 6.834 14.907 ( -6.629 3.593 -1.148) 7.627 15.368 ( -2.539 2.641 -0.983) 3.793 17.448 ( -2.383 -0.131 1.921) 3.064 17.993 ( -0.784 1.680 -0.214) 1.866 18.308 ( 3.499 -2.419 1.821) 4.627 18.430 ( 2.324 -0.173 0.235) 2.342 19.014 ( 8.843 -1.122 -0.185) 8.916 19.180 ( 10.330 -2.813 -0.460) 10.716 22.528 ( -1.254 -0.985 -0.589) 1.700 23.079 ( 2.967 -4.355 3.970) 6.598 28.621 ( 5.136 -0.570 -5.370) 7.452 29.020 ( 0.195 0.345 -5.086) 5.101 29.097 ( 2.058 -1.594 -1.142) 2.842 29.772 ( -5.587 5.940 -7.605) 11.150 30.299 ( -3.528 -2.411 2.866) 5.145 30.421 ( 0.882 1.126 -4.628) 4.845 31.518 ( 6.026 -3.658 3.710) 7.966 31.652 ( 1.089 -0.457 8.028) 8.115 33.106 ( -6.434 4.923 11.836) 14.343 33.608 ( 1.118 3.624 -17.388) 17.797 35.106 ( 0.149 0.868 1.032) 1.357 35.933 ( 3.595 -5.056 4.482) 7.654 46.361 ( -1.595 1.575 -1.316) 2.599 46.451 ( -2.583 1.954 1.253) 3.473 90.724 ( 11.314 -1.982 0.493) 11.497 91.214 ( 12.630 -2.041 1.668) 12.902 91.271 ( -8.313 1.931 -3.737) 9.317 92.501 ( 6.897 9.149 2.089) 11.647 ======================= Grid point 375 (187/196) ======================= q-point: (-0.40 -0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.283 ( -6.654 -0.000 -5.281) 8.495 3.417 ( -1.261 -0.000 -9.398) 9.482 3.610 ( -7.989 -0.000 10.718) 13.368 4.270 ( -2.409 -0.000 -13.570) 13.783 4.530 ( -3.364 -0.000 -2.561) 4.228 4.545 ( 3.772 0.000 7.171) 8.102 4.902 ( -18.943 -0.000 4.285) 19.422 5.053 ( 3.066 0.000 2.881) 4.207 5.332 ( 7.217 0.000 8.749) 11.341 6.012 ( 20.452 0.000 -8.202) 22.036 6.171 ( -11.769 -0.000 8.140) 14.309 6.188 ( -0.445 -0.000 -14.709) 14.716 7.049 ( 3.198 0.000 -4.775) 5.747 7.362 ( 5.100 0.000 8.243) 9.693 8.109 ( -4.753 -0.000 1.253) 4.916 8.428 ( -4.403 -0.000 5.922) 7.380 8.942 ( -3.135 -0.000 -12.651) 13.034 9.362 ( 2.739 0.000 2.226) 3.529 9.882 ( -5.863 -0.000 12.330) 13.653 10.142 ( 3.769 0.000 -8.578) 9.369 10.267 ( 4.766 0.000 7.995) 9.308 10.909 ( 18.878 0.000 -10.434) 21.570 11.543 ( 1.291 0.000 10.610) 10.688 11.575 ( -4.451 -0.000 -8.443) 9.545 12.095 ( 0.187 0.000 -3.912) 3.916 12.122 ( 2.538 0.000 2.628) 3.654 15.546 ( -16.499 -0.000 1.432) 16.561 15.582 ( -6.586 -0.000 -1.125) 6.681 17.613 ( -9.761 -0.000 9.078) 13.330 17.908 ( -0.714 -0.000 3.735) 3.803 18.231 ( 5.456 0.000 -2.624) 6.054 18.267 ( 8.781 0.000 -3.771) 9.557 18.391 ( 15.479 0.000 -3.237) 15.814 18.602 ( 19.801 0.000 2.453) 19.952 22.587 ( -3.250 -0.000 -2.121) 3.881 22.739 ( 2.197 0.000 3.276) 3.944 28.756 ( -5.679 -0.000 -10.329) 11.787 29.013 ( 0.432 0.000 -5.285) 5.303 29.028 ( 1.303 0.000 -0.294) 1.336 29.696 ( 14.953 0.000 8.194) 17.051 30.377 ( -7.350 -0.000 3.992) 8.364 30.541 ( -1.693 -0.000 -7.061) 7.261 31.268 ( 5.300 0.000 -10.687) 11.929 31.417 ( 2.968 0.000 16.128) 16.399 33.577 ( -7.174 -0.000 2.368) 7.554 33.863 ( 2.277 0.000 -7.338) 7.683 35.156 ( -2.013 -0.000 -3.935) 4.421 35.439 ( 5.423 0.000 8.554) 10.128 46.554 ( -3.509 -0.000 -6.092) 7.031 46.641 ( -3.764 -0.000 6.015) 7.096 90.322 ( 8.685 0.000 0.926) 8.734 90.634 ( 17.482 0.000 0.075) 17.482 91.730 ( -9.112 -0.000 -8.295) 12.322 92.396 ( 12.484 0.000 7.257) 14.440 ======================= Grid point 376 (188/196) ======================= q-point: (-0.30 -0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.987 ( -11.559 9.523 -11.075) 18.626 3.366 ( -7.525 -4.229 -9.654) 12.950 3.543 ( -3.518 2.838 7.939) 9.136 4.107 ( -9.577 2.416 -5.096) 11.114 4.472 ( -8.978 14.274 0.802) 16.882 4.565 ( 3.513 0.551 2.398) 4.289 4.634 ( -6.341 4.128 2.826) 8.077 5.106 ( -6.854 -4.495 6.658) 10.560 5.428 ( -0.300 0.928 4.658) 4.759 5.938 ( -8.405 -1.074 -10.456) 13.458 6.095 ( 1.026 -5.631 -1.262) 5.861 6.371 ( 9.475 -2.357 3.465) 10.360 7.166 ( 20.168 1.657 -9.265) 22.256 7.489 ( 4.818 1.498 7.057) 8.675 8.046 ( -4.456 1.010 0.485) 4.594 8.337 ( -12.585 0.233 5.999) 13.943 8.879 ( 4.619 -1.211 -7.809) 9.153 9.416 ( 0.613 -2.187 3.042) 3.797 9.887 ( -1.707 2.007 5.840) 6.406 10.143 ( 3.664 1.073 -5.447) 6.651 10.405 ( 5.204 -1.603 6.385) 8.392 11.038 ( 7.151 -1.489 -7.634) 10.566 11.402 ( -9.065 -0.066 -9.185) 12.905 11.699 ( 8.255 -0.587 6.951) 10.807 12.084 ( 1.041 0.079 -0.963) 1.420 12.208 ( 4.195 -1.152 4.046) 5.941 15.266 ( -16.053 3.608 -0.363) 16.458 15.509 ( -2.706 0.606 -0.921) 2.922 17.537 ( -7.242 1.701 8.166) 11.046 17.952 ( -1.104 -3.274 4.697) 5.831 18.255 ( 4.845 3.788 -2.242) 6.546 18.354 ( 5.774 -0.747 -3.037) 6.566 18.659 ( 15.453 -5.327 -2.052) 16.474 18.909 ( 18.865 0.345 1.215) 18.908 22.531 ( -2.595 -0.394 -1.556) 3.051 22.832 ( 4.870 -2.181 4.053) 6.701 28.632 ( -0.469 0.085 -9.150) 9.163 29.014 ( 3.616 -0.109 -4.126) 5.488 29.038 ( 0.100 -0.858 -1.356) 1.607 29.909 ( 9.759 0.272 -3.716) 10.446 30.296 ( -7.484 -0.395 4.307) 8.644 30.473 ( -1.244 0.105 -4.085) 4.272 31.306 ( 7.466 -0.839 -6.266) 9.783 31.567 ( 1.278 0.149 15.729) 15.781 33.437 ( -9.343 4.810 3.021) 10.934 33.813 ( -1.104 0.949 -7.953) 8.085 35.114 ( 0.243 -0.138 -3.893) 3.903 35.618 ( 7.531 -2.540 8.628) 11.730 46.455 ( -3.179 0.518 -5.659) 6.512 46.599 ( -5.923 1.548 5.340) 8.124 90.491 ( 11.912 -0.384 1.154) 11.974 90.913 ( 18.520 -0.269 0.408) 18.527 91.525 ( -9.714 1.025 -7.115) 12.085 92.616 ( 13.625 3.605 4.085) 14.674 ======================= Grid point 377 (189/196) ======================= q-point: (-0.20 -0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( -13.272 7.718 -10.636) 18.677 3.122 ( -15.391 7.207 -2.157) 17.131 3.544 ( -2.770 -1.268 -1.847) 3.563 3.845 ( -8.605 8.420 0.680) 12.059 4.118 ( -11.404 13.444 2.933) 17.871 4.405 ( -12.879 7.533 -1.090) 14.960 4.745 ( 9.691 -4.503 1.910) 10.856 5.020 ( -10.805 3.640 6.862) 13.307 5.481 ( 1.357 -6.150 -2.476) 6.767 5.818 ( -5.435 -6.520 -0.793) 8.525 6.258 ( 3.904 -10.834 -2.439) 11.772 6.465 ( -3.325 -4.156 2.390) 5.834 7.400 ( 21.178 4.316 -9.238) 23.505 7.524 ( -0.729 8.945 8.645) 12.462 7.922 ( -9.538 2.561 -0.777) 9.907 8.234 ( -0.860 -0.942 1.151) 1.718 8.985 ( 7.251 -4.838 -0.956) 8.769 9.489 ( 0.557 -3.418 4.756) 5.883 9.848 ( 0.201 5.607 -0.369) 5.622 10.120 ( 0.696 2.921 -3.736) 4.793 10.570 ( 6.643 -3.584 5.240) 9.188 11.087 ( 2.153 -2.208 -3.406) 4.595 11.213 ( -8.510 -1.863 -6.455) 10.842 11.845 ( 5.184 -0.600 1.388) 5.400 12.108 ( 2.168 -0.461 0.128) 2.220 12.318 ( 3.925 -0.414 4.705) 6.141 15.011 ( -9.565 3.673 -1.758) 10.396 15.456 ( -0.507 3.603 -0.833) 3.732 17.477 ( -4.192 2.124 6.046) 7.657 17.996 ( -2.039 -2.244 2.659) 4.032 18.276 ( 3.836 1.039 -0.512) 4.007 18.412 ( 2.849 -1.073 -2.025) 3.656 18.904 ( 7.942 -5.672 -0.433) 9.770 19.161 ( 14.232 0.308 -0.236) 14.238 22.504 ( -0.677 -0.802 -0.968) 1.428 22.992 ( 7.838 -2.411 4.518) 9.363 28.615 ( 4.970 -0.033 -4.868) 6.957 29.017 ( -0.934 -0.443 -3.919) 4.053 29.068 ( 5.564 -0.616 -3.213) 6.455 29.890 ( -0.806 3.215 -12.850) 13.270 30.243 ( -5.296 -1.792 3.983) 6.865 30.447 ( 1.280 0.789 -2.443) 2.869 31.422 ( 8.366 -2.734 -1.343) 8.903 31.671 ( -1.366 0.854 13.996) 14.088 33.250 ( -10.593 5.217 6.406) 13.434 33.684 ( -4.021 2.421 -10.462) 11.466 35.111 ( 2.440 -0.294 -3.465) 4.249 35.837 ( 8.580 -2.506 7.691) 11.792 46.374 ( -1.782 -0.022 -4.810) 5.129 46.512 ( -6.826 2.168 4.479) 8.447 90.689 ( 11.662 -0.828 1.428) 11.779 91.182 ( 15.623 -0.553 0.512) 15.642 91.313 ( -10.426 1.235 -5.177) 11.706 92.744 ( 11.081 8.553 -1.067) 14.039 ======================= Grid point 378 (190/196) ======================= q-point: (-0.10 -0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( -9.351 4.450 -3.454) 10.917 2.723 ( -19.279 10.103 2.933) 21.963 3.459 ( -0.220 1.733 -6.999) 7.213 3.692 ( -9.086 3.419 0.947) 9.754 3.879 ( -5.354 6.049 6.465) 10.347 4.138 ( -11.217 1.329 -2.167) 11.501 4.818 ( -6.433 -1.126 -4.001) 7.659 4.991 ( 6.529 -0.759 5.775) 8.750 5.520 ( -2.597 -5.693 -4.937) 7.971 5.944 ( 1.533 -12.137 7.080) 14.135 6.304 ( -13.797 -7.000 1.107) 15.511 6.535 ( 5.478 -7.436 -5.181) 10.590 7.341 ( -2.699 15.687 0.516) 15.926 7.415 ( -18.557 0.881 5.410) 19.350 7.855 ( 11.792 2.267 -2.566) 12.279 8.316 ( 7.786 0.539 -1.970) 8.050 9.153 ( 4.830 -5.988 0.421) 7.704 9.583 ( 1.884 -1.311 5.278) 5.756 9.752 ( -2.081 5.017 -1.404) 5.610 10.042 ( 0.510 5.299 -4.431) 6.926 10.732 ( 5.175 -1.835 1.267) 5.635 11.098 ( -2.329 -1.348 0.763) 2.798 11.164 ( 2.262 -3.735 -1.448) 4.600 11.894 ( 1.091 -0.010 -0.679) 1.285 12.156 ( 3.105 -0.472 -0.073) 3.142 12.386 ( 1.123 -0.364 2.136) 2.440 14.881 ( -0.069 2.671 -2.600) 3.729 15.385 ( -1.220 4.680 -0.012) 4.837 17.450 ( -0.764 1.383 3.175) 3.546 17.988 ( -1.591 0.133 0.040) 1.597 18.327 ( 1.110 -1.769 1.170) 2.394 18.438 ( 0.091 -1.114 -0.808) 1.379 19.015 ( -1.928 -4.812 -0.183) 5.187 19.305 ( 6.431 1.493 -0.841) 6.656 22.515 ( 1.485 -0.707 -0.716) 1.794 23.165 ( 8.310 0.612 3.881) 9.192 28.687 ( 6.334 0.616 -1.423) 6.521 28.947 ( -4.363 -0.080 -4.664) 6.387 29.144 ( 6.732 0.445 -3.642) 7.667 29.686 ( -5.763 3.691 -9.742) 11.905 30.233 ( -3.713 -2.599 3.953) 6.014 30.440 ( 2.545 1.663 -3.400) 4.561 31.580 ( 6.233 -3.412 0.300) 7.112 31.707 ( -3.245 1.191 9.594) 10.197 33.116 ( -9.367 1.178 10.995) 14.492 33.500 ( -4.135 1.761 -13.580) 14.304 35.134 ( 3.410 0.406 -2.848) 4.462 36.020 ( 6.701 0.779 5.796) 8.894 46.333 ( -0.855 -0.538 -2.602) 2.791 46.424 ( -4.968 0.619 2.446) 5.571 90.852 ( 5.849 0.005 1.037) 5.940 91.127 ( -7.769 -0.247 -2.301) 8.107 91.376 ( 8.592 0.440 -0.062) 8.604 92.693 ( 2.695 11.355 -6.076) 13.157 ======================= Grid point 386 (191/196) ======================= q-point: (-0.30 -0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.730 ( -19.179 -0.000 -7.468) 20.582 3.178 ( -7.010 -0.000 -10.168) 12.350 3.528 ( -7.237 -0.000 10.639) 12.868 3.940 ( -10.187 -0.000 -4.374) 11.086 4.381 ( -18.719 -0.000 6.487) 19.811 4.632 ( 4.909 0.000 4.524) 6.675 4.681 ( -7.116 -0.000 2.332) 7.488 4.879 ( -11.406 -0.000 -2.565) 11.691 5.435 ( -4.705 -0.000 3.478) 5.851 5.728 ( -1.758 -0.000 -18.590) 18.673 6.103 ( 3.233 0.000 5.115) 6.051 6.400 ( -6.203 -0.000 7.331) 9.603 7.460 ( 16.163 0.000 -5.602) 17.106 7.626 ( 5.787 0.000 5.092) 7.708 7.985 ( -5.961 -0.000 0.270) 5.967 8.219 ( -3.405 -0.000 2.076) 3.988 8.920 ( 8.991 0.000 -5.839) 10.721 9.443 ( 0.543 0.000 6.811) 6.832 9.923 ( 0.484 0.000 1.980) 2.039 10.163 ( 2.608 0.000 -4.171) 4.919 10.517 ( 5.532 0.000 4.488) 7.123 11.051 ( 2.584 0.000 -3.972) 4.739 11.190 ( -9.260 -0.000 -7.678) 12.029 11.836 ( 5.558 0.000 1.569) 5.775 12.104 ( 2.054 0.000 -0.098) 2.056 12.312 ( 5.121 0.000 4.103) 6.561 15.061 ( -11.321 -0.000 -2.027) 11.501 15.510 ( 1.507 0.000 -0.798) 1.705 17.517 ( -5.176 -0.000 8.731) 10.150 17.942 ( -1.780 -0.000 3.668) 4.077 18.320 ( 2.417 0.000 -1.454) 2.821 18.387 ( 3.043 0.000 -3.654) 4.756 18.816 ( 9.694 0.000 -0.371) 9.701 19.166 ( 14.343 0.000 -0.199) 14.344 22.493 ( -0.553 -0.000 -1.277) 1.392 22.961 ( 9.700 0.000 5.017) 10.921 28.615 ( 4.844 0.000 -4.541) 6.639 29.009 ( -1.064 -0.000 -3.375) 3.539 29.061 ( 6.675 0.000 -4.142) 7.856 29.932 ( 2.031 0.000 -15.321) 15.455 30.218 ( -6.806 -0.000 5.266) 8.605 30.458 ( 1.436 0.000 -1.521) 2.092 31.389 ( 8.606 0.000 -3.063) 9.135 31.682 ( -1.491 -0.000 15.294) 15.366 33.322 ( -11.754 -0.000 1.373) 11.834 33.719 ( -5.957 -0.000 -5.311) 7.981 35.105 ( 3.207 0.000 -4.912) 5.866 35.805 ( 10.431 0.000 9.079) 13.829 46.372 ( -2.551 -0.000 -5.257) 5.843 46.541 ( -7.740 -0.000 4.830) 9.123 90.679 ( 11.829 0.000 1.645) 11.943 91.177 ( 15.962 0.000 0.234) 15.964 91.329 ( -10.816 -0.000 -5.760) 12.254 92.864 ( 14.253 0.000 -2.296) 14.437 ======================= Grid point 387 (192/196) ======================= q-point: (-0.20 -0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( -16.486 3.188 2.062) 16.917 2.929 ( -18.219 4.076 -0.366) 18.673 3.512 ( -1.707 1.544 2.403) 3.327 3.739 ( -11.533 0.992 -0.921) 11.612 4.112 ( -14.515 8.337 6.016) 17.787 4.286 ( -18.097 12.281 -1.146) 21.900 4.713 ( -21.668 -14.477 -0.239) 26.061 4.883 ( 10.429 -1.027 -1.527) 10.590 5.405 ( -1.903 -2.697 -2.677) 4.250 5.642 ( -2.997 -7.820 -3.335) 9.014 6.210 ( -0.003 -0.412 2.944) 2.973 6.361 ( -3.336 -5.269 2.682) 6.788 7.439 ( -13.285 0.766 -0.450) 13.315 7.658 ( -2.155 7.344 1.654) 7.830 7.900 ( 0.194 1.000 0.352) 1.078 8.321 ( 12.229 -0.202 -1.228) 12.292 9.048 ( 9.217 -2.041 -3.998) 10.252 9.536 ( 2.578 -1.056 9.966) 10.348 9.891 ( -2.307 3.545 -4.393) 6.098 10.178 ( 7.189 4.548 -2.544) 8.879 10.651 ( 5.458 -3.903 3.315) 7.484 11.059 ( -2.933 -1.389 -1.819) 3.720 11.073 ( 1.883 -1.993 -2.497) 3.708 11.887 ( 0.832 -0.340 -0.705) 1.143 12.143 ( 2.788 -0.299 0.418) 2.835 12.387 ( 2.056 0.215 1.064) 2.325 14.933 ( -1.751 1.122 -2.809) 3.495 15.506 ( 0.968 3.369 -1.228) 3.714 17.507 ( -2.362 2.204 7.643) 8.298 17.948 ( -2.623 -2.497 2.055) 4.164 18.322 ( 0.930 1.386 -0.761) 1.834 18.401 ( 0.448 -1.644 -2.717) 3.207 18.906 ( -0.889 -2.779 0.604) 2.980 19.329 ( 8.632 0.417 -2.077) 8.888 22.499 ( 1.981 -0.400 -0.802) 2.174 23.181 ( 14.153 0.429 4.848) 14.966 28.700 ( 7.883 0.273 0.308) 7.894 28.946 ( -3.346 -0.009 -5.896) 6.779 29.151 ( 9.373 0.122 -4.423) 10.365 29.759 ( -5.890 1.689 -18.313) 19.311 30.181 ( -4.716 -1.250 6.210) 7.897 30.471 ( 2.560 0.700 -2.520) 3.660 31.510 ( 8.111 -1.491 -1.802) 8.442 31.739 ( -4.731 0.774 13.864) 14.670 33.139 ( -13.355 0.378 3.561) 13.826 33.552 ( -9.212 1.659 -5.712) 10.965 35.138 ( 5.739 0.090 -4.750) 7.450 36.040 ( 12.189 0.496 7.439) 14.289 46.311 ( -1.168 -0.677 -4.674) 4.865 46.447 ( -8.231 0.688 4.325) 9.324 90.856 ( 9.281 0.188 2.173) 9.533 91.118 ( -12.251 -0.263 -2.928) 12.598 91.385 ( 11.650 0.200 -1.291) 11.723 92.957 ( 8.787 6.861 -11.818) 16.246 ======================= Grid point 388 (193/196) ======================= q-point: (-0.10 -0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( -9.116 2.144 14.641) 17.380 2.552 ( -22.600 7.072 7.380) 24.803 3.449 ( 0.072 4.405 -4.214) 6.096 3.568 ( -10.530 0.960 -0.438) 10.582 3.880 ( -9.703 4.356 5.212) 11.845 3.939 ( -14.462 0.249 -1.127) 14.508 4.522 ( -19.900 -11.992 -4.622) 23.689 5.007 ( -1.170 -8.744 -3.444) 9.471 5.373 ( -3.294 -3.197 -5.271) 6.990 5.780 ( -8.241 -13.516 13.030) 20.503 6.116 ( -4.945 2.383 2.396) 5.990 6.503 ( 7.082 -7.918 -4.297) 11.459 7.149 ( -17.769 2.682 -2.508) 18.145 7.441 ( -8.709 10.721 0.207) 13.814 7.979 ( 5.480 -2.461 1.372) 6.162 8.462 ( 8.170 2.284 -1.214) 8.569 9.140 ( 0.926 -3.496 -1.461) 3.900 9.674 ( 2.280 1.948 4.662) 5.543 9.712 ( -5.642 2.165 -1.086) 6.140 10.186 ( 8.649 11.658 -2.994) 14.821 10.770 ( 1.533 -1.992 0.522) 2.567 11.068 ( -1.206 -0.489 2.753) 3.045 11.224 ( 14.386 -6.166 0.288) 15.654 11.874 ( -1.915 -1.369 -1.953) 3.059 12.201 ( 3.703 -0.986 0.126) 3.835 12.386 ( -0.283 0.823 -2.419) 2.571 14.940 ( 7.501 1.420 -3.598) 8.440 15.429 ( -2.334 5.519 -0.382) 6.004 17.508 ( 1.065 2.810 4.702) 5.581 17.947 ( -2.311 -1.929 0.073) 3.011 18.318 ( -0.797 -0.761 0.577) 1.244 18.398 ( -1.810 -1.657 -1.396) 2.823 18.863 ( -10.676 -3.679 0.673) 11.312 19.368 ( 0.679 2.040 -3.775) 4.344 22.545 ( 3.930 -0.263 -0.374) 3.957 23.395 ( 13.634 5.221 1.988) 14.735 28.742 ( -4.596 3.892 -7.000) 9.234 28.874 ( 1.977 -1.336 1.973) 3.096 29.237 ( 5.462 2.939 -3.881) 7.316 29.549 ( -2.883 -2.738 -10.094) 10.849 30.197 ( -2.457 -1.772 7.305) 7.908 30.480 ( 3.258 1.361 -3.178) 4.750 31.620 ( 4.748 -1.935 -3.025) 5.953 31.719 ( -7.264 1.624 10.024) 12.486 33.004 ( -12.221 -3.830 8.060) 15.132 33.343 ( -8.607 0.937 -8.097) 11.854 35.196 ( 7.258 1.482 -3.851) 8.349 36.225 ( 9.967 5.041 4.183) 11.927 46.289 ( -0.227 -1.641 -3.204) 3.607 46.358 ( -6.319 -0.572 3.030) 7.031 90.845 ( -10.831 2.619 -0.671) 11.164 91.065 ( 4.153 -3.355 2.328) 5.824 91.483 ( 4.512 2.634 -2.841) 5.947 92.743 ( -5.486 12.009 -19.307) 23.390 ======================= Grid point 397 (194/196) ======================= q-point: (-0.20 -0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( -13.017 -0.000 17.211) 21.579 2.672 ( -23.305 -0.000 7.498) 24.482 3.550 ( 1.421 0.000 2.094) 2.531 3.554 ( -11.798 -0.000 -0.425) 11.806 3.983 ( -14.872 -0.000 7.021) 16.446 4.132 ( -20.476 -0.000 -10.191) 22.872 4.140 ( -25.916 -0.000 0.615) 25.923 4.857 ( -10.997 -0.000 -8.181) 13.706 5.329 ( -2.634 -0.000 -2.237) 3.456 5.593 ( 2.064 0.000 11.732) 11.912 6.230 ( -5.895 -0.000 1.954) 6.210 6.323 ( 7.952 0.000 -3.407) 8.651 7.190 ( -16.412 -0.000 -3.627) 16.808 7.581 ( -10.739 -0.000 -4.288) 11.564 7.951 ( 3.347 0.000 3.081) 4.550 8.480 ( 7.500 0.000 2.482) 7.900 9.100 ( 1.552 0.000 -3.703) 4.015 9.670 ( 4.536 0.000 12.219) 13.034 9.776 ( -7.728 -0.000 -8.501) 11.489 10.434 ( 20.123 0.000 -6.234) 21.066 10.677 ( -1.048 -0.000 4.189) 4.318 11.083 ( 2.355 0.000 -0.458) 2.399 11.085 ( 9.645 0.000 3.307) 10.196 11.847 ( -4.177 -0.000 -1.984) 4.624 12.189 ( 2.972 0.000 0.763) 3.069 12.404 ( 0.941 0.000 -2.138) 2.336 14.958 ( 7.087 0.000 -3.553) 7.927 15.516 ( -1.551 -0.000 -2.269) 2.749 17.566 ( 0.205 0.000 8.249) 8.251 17.895 ( -2.996 -0.000 0.407) 3.023 18.331 ( -0.812 -0.000 0.019) 0.812 18.357 ( -1.530 -0.000 -2.531) 2.957 18.812 ( -10.136 -0.000 1.270) 10.215 19.392 ( 2.585 0.000 -5.410) 5.996 22.541 ( 4.316 0.000 -0.199) 4.320 23.469 ( 18.581 0.000 2.028) 18.691 28.811 ( -7.824 -0.000 -9.590) 12.377 28.841 ( 7.581 0.000 3.716) 8.443 29.288 ( 12.442 0.000 -3.740) 12.992 29.498 ( -11.444 -0.000 -15.983) 19.657 30.173 ( -2.429 -0.000 8.494) 8.835 30.498 ( 3.087 0.000 -2.988) 4.296 31.590 ( 6.410 0.000 -4.170) 7.647 31.745 ( -8.728 -0.000 13.307) 15.914 32.948 ( -14.595 -0.000 4.308) 15.217 33.362 ( -12.427 -0.000 -4.185) 13.113 35.219 ( 9.013 0.000 -3.964) 9.846 36.295 ( 14.442 0.000 3.785) 14.930 46.261 ( -0.173 -0.000 -4.431) 4.434 46.356 ( -8.371 -0.000 4.201) 9.366 90.894 ( -14.653 -0.000 -1.137) 14.697 91.006 ( 7.203 0.000 3.096) 7.840 91.513 ( 7.279 0.000 -3.015) 7.879 92.932 ( -1.896 -0.000 -26.640) 26.708 ======================= Grid point 398 (195/196) ======================= q-point: (-0.10 -0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( -9.145 0.204 25.240) 26.846 2.341 ( -26.259 3.935 17.127) 31.596 3.403 ( -7.464 -1.045 -1.185) 7.629 3.517 ( -6.591 7.953 3.118) 10.789 3.697 ( -11.927 0.521 -7.491) 14.094 3.792 ( -12.515 1.931 2.188) 12.851 3.933 ( -21.665 -16.083 -5.372) 27.511 4.576 ( -30.439 -15.352 0.325) 34.092 5.296 ( 0.392 -0.124 -1.962) 2.005 5.745 ( -0.450 0.930 11.709) 11.754 6.164 ( 3.334 2.223 0.728) 4.073 6.461 ( 6.733 -8.613 -7.486) 13.250 6.935 ( -9.832 1.999 -6.728) 12.080 7.353 ( -11.417 2.942 -4.453) 12.603 8.021 ( 2.007 -1.445 2.622) 3.604 8.577 ( 3.843 1.349 2.294) 4.675 9.035 ( -9.769 -2.210 0.526) 10.029 9.607 ( -2.767 2.988 -6.199) 7.417 9.827 ( 4.213 -0.322 10.801) 11.598 10.461 ( 3.869 14.503 -3.068) 15.320 10.719 ( -2.831 -5.061 0.176) 5.802 11.093 ( 0.124 2.400 0.957) 2.587 11.451 ( 24.933 -5.126 2.451) 25.572 11.777 ( -2.715 -3.374 -3.232) 5.403 12.243 ( 3.277 -0.668 0.350) 3.363 12.389 ( 1.215 1.786 -3.427) 4.052 15.081 ( 13.314 0.524 -4.865) 14.185 15.424 ( -5.606 3.186 -0.932) 6.515 17.620 ( 3.279 3.538 5.271) 7.145 17.875 ( -2.071 -3.323 -1.050) 4.054 18.296 ( -2.476 0.433 0.178) 2.519 18.331 ( -3.009 -1.577 -0.282) 3.409 18.634 ( -15.340 -1.563 1.299) 15.474 19.300 ( -7.706 1.606 -9.028) 11.978 22.619 ( 5.785 0.134 0.628) 5.821 23.678 ( 13.017 6.353 -6.229) 15.767 28.568 ( -12.999 1.531 -4.501) 13.842 28.959 ( 4.218 0.175 3.251) 5.328 29.236 ( -7.058 1.699 -5.220) 8.941 29.497 ( 11.180 -4.303 -1.643) 12.091 30.227 ( 0.011 -0.580 9.438) 9.456 30.522 ( 3.621 0.626 -3.030) 4.763 31.623 ( 0.964 0.104 -5.218) 5.308 31.668 ( -10.856 0.487 8.818) 13.994 32.809 ( -12.563 -4.561 7.511) 15.331 33.146 ( -10.917 -0.621 -5.439) 12.213 35.339 ( 11.337 2.110 -1.977) 11.700 36.472 ( 11.130 5.713 -2.049) 12.677 46.244 ( 0.016 -1.253 -3.112) 3.355 46.273 ( -6.108 -1.156 3.062) 6.930 90.658 ( -14.979 0.935 -0.100) 15.008 91.129 ( 4.292 -1.744 3.451) 5.777 91.542 ( 2.086 3.870 -5.146) 6.768 92.472 ( -22.410 5.874 -33.599) 40.812 ======================= Grid point 408 (196/196) ======================= q-point: (-0.10 -0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( -30.466 -0.000 21.307) 37.178 2.303 ( -16.073 -0.000 25.520) 30.160 3.267 ( -26.051 -0.000 4.514) 26.439 3.319 ( 0.345 0.000 -3.897) 3.912 3.470 ( -12.926 -0.000 -1.690) 13.036 3.630 ( -4.580 -0.000 -4.954) 6.747 3.790 ( 3.925 0.000 1.249) 4.119 3.914 ( -39.400 -0.000 6.666) 39.960 5.333 ( 4.883 0.000 -0.296) 4.892 5.823 ( -0.010 -0.000 1.013) 1.013 6.247 ( 3.470 0.000 4.172) 5.427 6.410 ( 5.861 0.000 -12.341) 13.662 6.814 ( -1.283 -0.000 -7.303) 7.415 7.155 ( -11.519 -0.000 -4.749) 12.460 8.054 ( 1.209 0.000 3.081) 3.310 8.594 ( -6.439 -0.000 -2.914) 7.067 8.902 ( -4.687 -0.000 11.025) 11.980 9.634 ( 6.867 0.000 -0.786) 6.912 9.936 ( 1.247 0.000 7.213) 7.320 10.467 ( -18.387 -0.000 5.501) 19.192 10.653 ( 4.203 0.000 -6.013) 7.337 11.073 ( -4.967 -0.000 -3.584) 6.125 11.734 ( 3.042 0.000 1.429) 3.361 11.852 ( 27.483 0.000 -1.556) 27.527 12.287 ( 2.922 0.000 -0.211) 2.929 12.399 ( 1.559 0.000 -3.431) 3.769 15.262 ( 15.140 0.000 -6.561) 16.501 15.336 ( -7.974 -0.000 1.689) 8.151 17.756 ( 5.897 0.000 3.972) 7.110 17.805 ( -0.180 -0.000 -4.262) 4.266 18.223 ( -9.053 -0.000 2.930) 9.516 18.292 ( -1.745 -0.000 0.777) 1.910 18.424 ( -10.616 -0.000 0.047) 10.616 19.007 ( -22.717 -0.000 -12.824) 26.086 22.726 ( 6.964 0.000 1.948) 7.231 23.733 ( -2.276 -0.000 -16.996) 17.148 28.480 ( 1.464 0.000 13.147) 13.228 29.021 ( 1.553 0.000 1.328) 2.043 29.112 ( -4.870 -0.000 -1.989) 5.260 29.648 ( 9.016 0.000 2.359) 9.320 30.308 ( 1.651 0.000 9.319) 9.464 30.556 ( 3.274 0.000 -3.036) 4.465 31.518 ( -17.791 -0.000 10.530) 20.674 31.584 ( 0.672 0.000 -10.709) 10.730 32.666 ( -9.507 -0.000 8.423) 12.701 32.948 ( -8.389 -0.000 -5.495) 10.028 35.543 ( 13.657 0.000 1.533) 13.743 36.605 ( 5.298 0.000 -10.083) 11.390 46.197 ( -6.049 -0.000 4.515) 7.548 46.223 ( 1.677 0.000 -4.273) 4.590 90.447 ( -12.896 -0.000 -0.293) 12.899 91.169 ( -2.133 -0.000 0.130) 2.137 91.570 ( 2.166 0.000 -6.084) 6.458 91.749 ( -39.928 -0.000 -28.598) 49.113 =================== 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 3/37800 10.0 330.481 286.234 313.493 0.000 -66.106 0.000 3/37800 20.0 128.023 94.562 83.598 0.000 -15.556 0.000 3/37800 30.0 63.435 49.726 37.399 0.000 -7.177 0.000 3/37800 40.0 39.827 32.994 21.873 0.000 -4.389 0.000 3/37800 50.0 28.246 24.267 14.765 0.000 -3.104 0.000 3/37800 60.0 21.593 18.943 10.944 0.000 -2.411 0.000 3/37800 70.0 17.358 15.388 8.642 0.000 -1.984 0.000 3/37800 80.0 14.462 12.871 7.130 0.000 -1.693 0.000 3/37800 90.0 12.375 11.014 6.072 0.000 -1.479 0.000 3/37800 100.0 10.808 9.598 5.294 0.000 -1.314 0.000 3/37800 110.0 9.595 8.490 4.698 0.000 -1.181 0.000 3/37800 120.0 8.631 7.603 4.229 0.000 -1.073 0.000 3/37800 130.0 7.849 6.881 3.849 0.000 -0.982 0.000 3/37800 140.0 7.202 6.282 3.536 0.000 -0.905 0.000 3/37800 150.0 6.660 5.779 3.274 0.000 -0.840 0.000 3/37800 160.0 6.199 5.351 3.051 0.000 -0.783 0.000 3/37800 170.0 5.803 4.983 2.859 0.000 -0.734 0.000 3/37800 180.0 5.459 4.663 2.693 0.000 -0.690 0.000 3/37800 190.0 5.158 4.383 2.548 0.000 -0.652 0.000 3/37800 200.0 4.892 4.136 2.420 0.000 -0.619 0.000 3/37800 210.0 4.655 3.916 2.307 0.000 -0.588 0.000 3/37800 220.0 4.444 3.720 2.206 0.000 -0.562 0.000 3/37800 230.0 4.253 3.544 2.115 0.000 -0.538 0.000 3/37800 240.0 4.080 3.384 2.034 0.000 -0.516 0.000 3/37800 250.0 3.923 3.239 1.961 0.000 -0.496 0.000 3/37800 260.0 3.780 3.107 1.894 0.000 -0.479 0.000 3/37800 270.0 3.648 2.987 1.834 0.000 -0.463 0.000 3/37800 280.0 3.526 2.876 1.779 0.000 -0.448 0.000 3/37800 290.0 3.414 2.773 1.728 0.000 -0.435 0.000 3/37800 300.0 3.310 2.679 1.682 0.000 -0.423 0.000 3/37800 310.0 3.213 2.591 1.639 0.000 -0.412 0.000 3/37800 320.0 3.122 2.509 1.599 0.000 -0.401 0.000 3/37800 330.0 3.037 2.433 1.562 0.000 -0.392 0.000 3/37800 340.0 2.958 2.362 1.527 0.000 -0.383 0.000 3/37800 350.0 2.883 2.295 1.494 0.000 -0.375 0.000 3/37800 360.0 2.812 2.233 1.464 0.000 -0.367 0.000 3/37800 370.0 2.745 2.174 1.435 0.000 -0.360 0.000 3/37800 380.0 2.682 2.118 1.408 0.000 -0.353 0.000 3/37800 390.0 2.622 2.065 1.382 0.000 -0.347 0.000 3/37800 400.0 2.565 2.015 1.358 0.000 -0.341 0.000 3/37800 410.0 2.510 1.968 1.335 0.000 -0.336 0.000 3/37800 420.0 2.458 1.923 1.312 0.000 -0.330 0.000 3/37800 430.0 2.409 1.880 1.291 0.000 -0.325 0.000 3/37800 440.0 2.361 1.839 1.271 0.000 -0.320 0.000 3/37800 450.0 2.316 1.800 1.251 0.000 -0.316 0.000 3/37800 460.0 2.272 1.763 1.232 0.000 -0.311 0.000 3/37800 470.0 2.230 1.728 1.214 0.000 -0.307 0.000 3/37800 480.0 2.190 1.694 1.197 0.000 -0.303 0.000 3/37800 490.0 2.152 1.661 1.180 0.000 -0.299 0.000 3/37800 500.0 2.114 1.630 1.163 0.000 -0.295 0.000 3/37800 510.0 2.079 1.600 1.147 0.000 -0.291 0.000 3/37800 520.0 2.044 1.571 1.132 0.000 -0.287 0.000 3/37800 530.0 2.011 1.543 1.117 0.000 -0.284 0.000 3/37800 540.0 1.978 1.516 1.103 0.000 -0.280 0.000 3/37800 550.0 1.947 1.490 1.088 0.000 -0.277 0.000 3/37800 560.0 1.917 1.465 1.075 0.000 -0.274 0.000 3/37800 570.0 1.888 1.441 1.061 0.000 -0.271 0.000 3/37800 580.0 1.859 1.418 1.048 0.000 -0.268 0.000 3/37800 590.0 1.832 1.395 1.036 0.000 -0.265 0.000 3/37800 600.0 1.805 1.373 1.023 0.000 -0.262 0.000 3/37800 610.0 1.780 1.352 1.011 0.000 -0.259 0.000 3/37800 620.0 1.755 1.332 0.999 0.000 -0.256 0.000 3/37800 630.0 1.730 1.312 0.988 0.000 -0.253 0.000 3/37800 640.0 1.707 1.293 0.977 0.000 -0.250 0.000 3/37800 650.0 1.684 1.274 0.966 0.000 -0.248 0.000 3/37800 660.0 1.661 1.256 0.955 0.000 -0.245 0.000 3/37800 670.0 1.640 1.239 0.944 0.000 -0.243 0.000 3/37800 680.0 1.619 1.221 0.934 0.000 -0.240 0.000 3/37800 690.0 1.598 1.205 0.924 0.000 -0.238 0.000 3/37800 700.0 1.578 1.189 0.914 0.000 -0.235 0.000 3/37800 710.0 1.558 1.173 0.904 0.000 -0.233 0.000 3/37800 720.0 1.539 1.158 0.895 0.000 -0.231 0.000 3/37800 730.0 1.521 1.143 0.886 0.000 -0.228 0.000 3/37800 740.0 1.503 1.128 0.877 0.000 -0.226 0.000 3/37800 750.0 1.485 1.114 0.868 0.000 -0.224 0.000 3/37800 760.0 1.468 1.101 0.859 0.000 -0.222 0.000 3/37800 770.0 1.451 1.087 0.850 0.000 -0.219 0.000 3/37800 780.0 1.435 1.074 0.842 0.000 -0.217 0.000 3/37800 790.0 1.419 1.061 0.834 0.000 -0.215 0.000 3/37800 800.0 1.403 1.049 0.826 0.000 -0.213 0.000 3/37800 810.0 1.388 1.037 0.818 0.000 -0.211 0.000 3/37800 820.0 1.373 1.025 0.810 0.000 -0.209 0.000 3/37800 830.0 1.358 1.013 0.802 0.000 -0.207 0.000 3/37800 840.0 1.344 1.002 0.795 0.000 -0.205 0.000 3/37800 850.0 1.330 0.991 0.787 0.000 -0.204 0.000 3/37800 860.0 1.316 0.980 0.780 0.000 -0.202 0.000 3/37800 870.0 1.303 0.969 0.773 0.000 -0.200 0.000 3/37800 880.0 1.290 0.959 0.766 0.000 -0.198 0.000 3/37800 890.0 1.277 0.949 0.759 0.000 -0.196 0.000 3/37800 900.0 1.264 0.939 0.752 0.000 -0.195 0.000 3/37800 910.0 1.252 0.929 0.746 0.000 -0.193 0.000 3/37800 920.0 1.240 0.920 0.739 0.000 -0.191 0.000 3/37800 930.0 1.228 0.910 0.733 0.000 -0.190 0.000 3/37800 940.0 1.216 0.901 0.726 0.000 -0.188 0.000 3/37800 950.0 1.205 0.892 0.720 0.000 -0.186 0.000 3/37800 960.0 1.194 0.883 0.714 0.000 -0.185 0.000 3/37800 970.0 1.183 0.875 0.708 0.000 -0.183 0.000 3/37800 980.0 1.172 0.866 0.702 0.000 -0.182 0.000 3/37800 990.0 1.162 0.858 0.696 0.000 -0.180 0.000 3/37800 1000.0 1.151 0.850 0.691 0.000 -0.179 0.000 3/37800 Thermal conductivity related properties were written into "kappa-m10107.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:48:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|