----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 11:58:48]------------------------- 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 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1 (4) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.337196150394645 0.000000000000000 0.000000000000000 b 0.000000000000000 6.118885150000000 0.000000000000000 c -3.568258476941891 0.000000000000000 6.659710699655018 Atomic positions (fractional): *1 Ba 0.13859987892286 0.75810994185408 0.39837189673862 137.327 *2 Ba 0.70093468216454 0.75512959697338 0.85470836471524 137.327 3 Ba 0.86140012107714 0.25810994185408 0.60162810326138 137.327 4 Ba 0.29906531783546 0.25512959697338 0.14529163528476 137.327 *5 Nd 0.59539669300530 0.75982036943193 0.33047102546226 144.242 6 Nd 0.40460330699470 0.25982036943193 0.66952897453774 144.242 *7 Al 0.82904417219917 0.27369419773737 0.16445456146659 26.982 8 Al 0.17095582780083 0.77369419773737 0.83554543853341 26.982 *9 O 0.49944182318588 0.49682105320855 0.48755441973956 15.999 *10 O 0.90894444879702 0.73367246480080 0.64757864329136 15.999 *11 O 0.31843569539001 0.58504775869091 0.77632271635158 15.999 *12 O 0.77934554179182 0.24025502683176 0.91183883233521 15.999 13 O 0.09105555120298 0.23367246480080 0.35242135670864 15.999 *14 O 0.23089832836209 0.04544963047123 0.79758954204248 15.999 15 O 0.50055817681412 0.99682105320855 0.51244558026044 15.999 16 O 0.76910167163791 0.54544963047123 0.20241045795752 15.999 17 O 0.22065445820818 0.74025502683176 0.08816116766479 15.999 18 O 0.68156430460999 0.08504775869091 0.22367728364842 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.337196150394645 0.000000000000000 0.000000000000000 b 0.000000000000000 6.118885150000000 0.000000000000000 c -3.568258476941891 0.000000000000000 6.659710699655018 Atomic positions (fractional): *1 Ba 0.13859987892286 0.75810994185408 0.39837189673862 137.327 > 1 *2 Ba 0.70093468216454 0.75512959697338 0.85470836471524 137.327 > 2 3 Ba 0.86140012107714 0.25810994185408 0.60162810326138 137.327 > 3 4 Ba 0.29906531783546 0.25512959697338 0.14529163528476 137.327 > 4 *5 Nd 0.59539669300530 0.75982036943193 0.33047102546226 144.242 > 5 6 Nd 0.40460330699470 0.25982036943193 0.66952897453774 144.242 > 6 *7 Al 0.82904417219917 0.27369419773737 0.16445456146659 26.982 > 7 8 Al 0.17095582780083 0.77369419773737 0.83554543853341 26.982 > 8 *9 O 0.49944182318588 0.49682105320855 0.48755441973956 15.999 > 9 *10 O 0.90894444879702 0.73367246480080 0.64757864329136 15.999 > 10 *11 O 0.31843569539001 0.58504775869091 0.77632271635158 15.999 > 11 *12 O 0.77934554179182 0.24025502683176 0.91183883233521 15.999 > 12 13 O 0.09105555120298 0.23367246480080 0.35242135670864 15.999 > 13 *14 O 0.23089832836209 0.04544963047123 0.79758954204248 15.999 > 14 15 O 0.50055817681412 0.99682105320855 0.51244558026044 15.999 > 15 16 O 0.76910167163791 0.54544963047123 0.20241045795752 15.999 > 16 17 O 0.22065445820818 0.74025502683176 0.08816116766479 15.999 > 17 18 O 0.68156430460999 0.08504775869091 0.22367728364842 15.999 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.674392300789290 0.000000000000000 0.000000000000000 b 0.000000000000000 12.237770299999999 0.000000000000000 c -7.136516953883782 0.000000000000000 13.319421399310036 Atomic positions (fractional): *1 Ba 0.06929993946143 0.37905497092704 0.19918594836931 137.327 > 1 2 Ba 0.56929993946143 0.37905497092704 0.19918594836931 137.327 > 1 3 Ba 0.06929993946143 0.87905497092704 0.19918594836931 137.327 > 1 4 Ba 0.56929993946143 0.87905497092704 0.19918594836931 137.327 > 1 5 Ba 0.06929993946143 0.37905497092704 0.69918594836931 137.327 > 1 6 Ba 0.56929993946143 0.37905497092704 0.69918594836931 137.327 > 1 7 Ba 0.06929993946143 0.87905497092704 0.69918594836931 137.327 > 1 8 Ba 0.56929993946143 0.87905497092704 0.69918594836931 137.327 > 1 *9 Ba 0.35046734108227 0.37756479848669 0.42735418235762 137.327 > 2 10 Ba 0.85046734108227 0.37756479848669 0.42735418235762 137.327 > 2 11 Ba 0.35046734108227 0.87756479848669 0.42735418235762 137.327 > 2 12 Ba 0.85046734108227 0.87756479848669 0.42735418235762 137.327 > 2 13 Ba 0.35046734108227 0.37756479848669 0.92735418235762 137.327 > 2 14 Ba 0.85046734108227 0.37756479848669 0.92735418235762 137.327 > 2 15 Ba 0.35046734108227 0.87756479848669 0.92735418235762 137.327 > 2 16 Ba 0.85046734108227 0.87756479848669 0.92735418235762 137.327 > 2 17 Ba 0.43070006053857 0.12905497092704 0.30081405163069 137.327 > 3 18 Ba 0.93070006053857 0.12905497092704 0.30081405163069 137.327 > 3 19 Ba 0.43070006053857 0.62905497092704 0.30081405163069 137.327 > 3 20 Ba 0.93070006053857 0.62905497092704 0.30081405163069 137.327 > 3 21 Ba 0.43070006053857 0.12905497092704 0.80081405163069 137.327 > 3 22 Ba 0.93070006053857 0.12905497092704 0.80081405163069 137.327 > 3 23 Ba 0.43070006053857 0.62905497092704 0.80081405163069 137.327 > 3 24 Ba 0.93070006053857 0.62905497092704 0.80081405163069 137.327 > 3 25 Ba 0.14953265891773 0.12756479848669 0.07264581764238 137.327 > 4 26 Ba 0.64953265891773 0.12756479848669 0.07264581764238 137.327 > 4 27 Ba 0.14953265891773 0.62756479848669 0.07264581764238 137.327 > 4 28 Ba 0.64953265891773 0.62756479848669 0.07264581764238 137.327 > 4 29 Ba 0.14953265891773 0.12756479848669 0.57264581764238 137.327 > 4 30 Ba 0.64953265891773 0.12756479848669 0.57264581764238 137.327 > 4 31 Ba 0.14953265891773 0.62756479848669 0.57264581764238 137.327 > 4 32 Ba 0.64953265891773 0.62756479848669 0.57264581764238 137.327 > 4 *33 Nd 0.29769834650265 0.37991018471597 0.16523551273113 144.242 > 5 34 Nd 0.79769834650265 0.37991018471597 0.16523551273113 144.242 > 5 35 Nd 0.29769834650265 0.87991018471597 0.16523551273113 144.242 > 5 36 Nd 0.79769834650265 0.87991018471597 0.16523551273113 144.242 > 5 37 Nd 0.29769834650265 0.37991018471597 0.66523551273113 144.242 > 5 38 Nd 0.79769834650265 0.37991018471597 0.66523551273113 144.242 > 5 39 Nd 0.29769834650265 0.87991018471597 0.66523551273113 144.242 > 5 40 Nd 0.79769834650265 0.87991018471597 0.66523551273113 144.242 > 5 41 Nd 0.20230165349735 0.12991018471597 0.33476448726887 144.242 > 6 42 Nd 0.70230165349735 0.12991018471597 0.33476448726887 144.242 > 6 43 Nd 0.20230165349735 0.62991018471597 0.33476448726887 144.242 > 6 44 Nd 0.70230165349735 0.62991018471597 0.33476448726887 144.242 > 6 45 Nd 0.20230165349735 0.12991018471597 0.83476448726887 144.242 > 6 46 Nd 0.70230165349735 0.12991018471597 0.83476448726887 144.242 > 6 47 Nd 0.20230165349735 0.62991018471597 0.83476448726887 144.242 > 6 48 Nd 0.70230165349735 0.62991018471597 0.83476448726887 144.242 > 6 *49 Al 0.41452208609959 0.13684709886868 0.08222728073329 26.982 > 7 50 Al 0.91452208609959 0.13684709886868 0.08222728073329 26.982 > 7 51 Al 0.41452208609959 0.63684709886868 0.08222728073329 26.982 > 7 52 Al 0.91452208609959 0.63684709886868 0.08222728073329 26.982 > 7 53 Al 0.41452208609959 0.13684709886868 0.58222728073329 26.982 > 7 54 Al 0.91452208609959 0.13684709886868 0.58222728073329 26.982 > 7 55 Al 0.41452208609959 0.63684709886868 0.58222728073329 26.982 > 7 56 Al 0.91452208609959 0.63684709886868 0.58222728073329 26.982 > 7 57 Al 0.08547791390041 0.38684709886868 0.41777271926671 26.982 > 8 58 Al 0.58547791390042 0.38684709886868 0.41777271926671 26.982 > 8 59 Al 0.08547791390041 0.88684709886868 0.41777271926671 26.982 > 8 60 Al 0.58547791390042 0.88684709886868 0.41777271926671 26.982 > 8 61 Al 0.08547791390041 0.38684709886868 0.91777271926671 26.982 > 8 62 Al 0.58547791390042 0.38684709886868 0.91777271926671 26.982 > 8 63 Al 0.08547791390041 0.88684709886868 0.91777271926671 26.982 > 8 64 Al 0.58547791390042 0.88684709886868 0.91777271926671 26.982 > 8 *65 O 0.24972091159294 0.24841052660428 0.24377720986978 15.999 > 9 66 O 0.74972091159294 0.24841052660428 0.24377720986978 15.999 > 9 67 O 0.24972091159294 0.74841052660427 0.24377720986978 15.999 > 9 68 O 0.74972091159294 0.74841052660427 0.24377720986978 15.999 > 9 69 O 0.24972091159294 0.24841052660428 0.74377720986978 15.999 > 9 70 O 0.74972091159294 0.24841052660428 0.74377720986978 15.999 > 9 71 O 0.24972091159294 0.74841052660427 0.74377720986978 15.999 > 9 72 O 0.74972091159294 0.74841052660427 0.74377720986978 15.999 > 9 *73 O 0.45447222439851 0.36683623240040 0.32378932164568 15.999 > 10 74 O 0.95447222439851 0.36683623240040 0.32378932164568 15.999 > 10 75 O 0.45447222439851 0.86683623240040 0.32378932164568 15.999 > 10 76 O 0.95447222439851 0.86683623240040 0.32378932164568 15.999 > 10 77 O 0.45447222439851 0.36683623240040 0.82378932164568 15.999 > 10 78 O 0.95447222439851 0.36683623240040 0.82378932164568 15.999 > 10 79 O 0.45447222439851 0.86683623240040 0.82378932164568 15.999 > 10 80 O 0.95447222439851 0.86683623240040 0.82378932164568 15.999 > 10 *81 O 0.15921784769500 0.29252387934545 0.38816135817579 15.999 > 11 82 O 0.65921784769500 0.29252387934545 0.38816135817579 15.999 > 11 83 O 0.15921784769500 0.79252387934545 0.38816135817579 15.999 > 11 84 O 0.65921784769500 0.79252387934545 0.38816135817579 15.999 > 11 85 O 0.15921784769500 0.29252387934545 0.88816135817579 15.999 > 11 86 O 0.65921784769500 0.29252387934545 0.88816135817579 15.999 > 11 87 O 0.15921784769500 0.79252387934545 0.88816135817579 15.999 > 11 88 O 0.65921784769500 0.79252387934545 0.88816135817579 15.999 > 11 *89 O 0.38967277089591 0.12012751341588 0.45591941616761 15.999 > 12 90 O 0.88967277089591 0.12012751341588 0.45591941616761 15.999 > 12 91 O 0.38967277089591 0.62012751341588 0.45591941616761 15.999 > 12 92 O 0.88967277089591 0.62012751341588 0.45591941616761 15.999 > 12 93 O 0.38967277089591 0.12012751341588 0.95591941616761 15.999 > 12 94 O 0.88967277089591 0.12012751341588 0.95591941616761 15.999 > 12 95 O 0.38967277089591 0.62012751341588 0.95591941616761 15.999 > 12 96 O 0.88967277089591 0.62012751341588 0.95591941616761 15.999 > 12 97 O 0.04552777560149 0.11683623240040 0.17621067835432 15.999 > 13 98 O 0.54552777560149 0.11683623240040 0.17621067835432 15.999 > 13 99 O 0.04552777560149 0.61683623240040 0.17621067835432 15.999 > 13 100 O 0.54552777560149 0.61683623240040 0.17621067835432 15.999 > 13 101 O 0.04552777560149 0.11683623240040 0.67621067835432 15.999 > 13 102 O 0.54552777560149 0.11683623240040 0.67621067835432 15.999 > 13 103 O 0.04552777560149 0.61683623240040 0.67621067835432 15.999 > 13 104 O 0.54552777560149 0.61683623240040 0.67621067835432 15.999 > 13 *105 O 0.11544916418105 0.02272481523562 0.39879477102124 15.999 > 14 106 O 0.61544916418105 0.02272481523562 0.39879477102124 15.999 > 14 107 O 0.11544916418105 0.52272481523562 0.39879477102124 15.999 > 14 108 O 0.61544916418105 0.52272481523562 0.39879477102124 15.999 > 14 109 O 0.11544916418105 0.02272481523562 0.89879477102124 15.999 > 14 110 O 0.61544916418105 0.02272481523562 0.89879477102124 15.999 > 14 111 O 0.11544916418105 0.52272481523562 0.89879477102124 15.999 > 14 112 O 0.61544916418105 0.52272481523562 0.89879477102124 15.999 > 14 113 O 0.25027908840706 0.49841052660427 0.25622279013022 15.999 > 15 114 O 0.75027908840706 0.49841052660427 0.25622279013022 15.999 > 15 115 O 0.25027908840706 0.99841052660427 0.25622279013022 15.999 > 15 116 O 0.75027908840706 0.99841052660427 0.25622279013022 15.999 > 15 117 O 0.25027908840706 0.49841052660427 0.75622279013022 15.999 > 15 118 O 0.75027908840706 0.49841052660427 0.75622279013022 15.999 > 15 119 O 0.25027908840706 0.99841052660427 0.75622279013022 15.999 > 15 120 O 0.75027908840706 0.99841052660427 0.75622279013022 15.999 > 15 121 O 0.38455083581895 0.27272481523562 0.10120522897876 15.999 > 16 122 O 0.88455083581895 0.27272481523562 0.10120522897876 15.999 > 16 123 O 0.38455083581895 0.77272481523562 0.10120522897876 15.999 > 16 124 O 0.88455083581895 0.77272481523562 0.10120522897876 15.999 > 16 125 O 0.38455083581895 0.27272481523562 0.60120522897876 15.999 > 16 126 O 0.88455083581895 0.27272481523562 0.60120522897876 15.999 > 16 127 O 0.38455083581895 0.77272481523562 0.60120522897876 15.999 > 16 128 O 0.88455083581895 0.77272481523562 0.60120522897876 15.999 > 16 129 O 0.11032722910409 0.37012751341588 0.04408058383239 15.999 > 17 130 O 0.61032722910409 0.37012751341588 0.04408058383239 15.999 > 17 131 O 0.11032722910409 0.87012751341588 0.04408058383239 15.999 > 17 132 O 0.61032722910409 0.87012751341588 0.04408058383239 15.999 > 17 133 O 0.11032722910409 0.37012751341588 0.54408058383239 15.999 > 17 134 O 0.61032722910409 0.37012751341588 0.54408058383239 15.999 > 17 135 O 0.11032722910409 0.87012751341588 0.54408058383239 15.999 > 17 136 O 0.61032722910409 0.87012751341588 0.54408058383239 15.999 > 17 137 O 0.34078215230500 0.04252387934545 0.11183864182421 15.999 > 18 138 O 0.84078215230500 0.04252387934545 0.11183864182421 15.999 > 18 139 O 0.34078215230500 0.54252387934545 0.11183864182421 15.999 > 18 140 O 0.84078215230500 0.54252387934545 0.11183864182421 15.999 > 18 141 O 0.34078215230500 0.04252387934545 0.61183864182421 15.999 > 18 142 O 0.84078215230500 0.04252387934545 0.61183864182421 15.999 > 18 143 O 0.34078215230500 0.54252387934545 0.61183864182421 15.999 > 18 144 O 0.84078215230500 0.54252387934545 0.61183864182421 15.999 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0973253 0.0000000 -0.1130310 0.0000000 4.0633156 0.0000000 -0.1130284 0.0000000 4.0289065 -------------------------- Born effective charges -------------------------- 1 Ba 2.9186552 0.1367867 -0.0305034 0.1145416 2.5993038 -0.0236719 -0.0808566 0.0285789 2.3892690 2 Ba 2.5325667 0.1569686 -0.2514514 0.1845911 2.5463778 -0.1562072 -0.2379663 -0.1810618 2.9052626 3 Ba 2.9186552 -0.1367867 -0.0305034 -0.1145416 2.5993038 0.0236719 -0.0808566 -0.0285789 2.3892690 4 Ba 2.5325667 -0.1569686 -0.2514514 -0.1845911 2.5463778 0.1562072 -0.2379663 0.1810618 2.9052626 5 Nd 4.1371936 -0.0033809 -0.3377333 -0.0690251 4.2455461 -0.1067104 -0.3055468 -0.0791739 3.6958975 6 Nd 4.1371936 0.0033809 -0.3377333 0.0690251 4.2455461 0.1067104 -0.3055468 0.0791739 3.6958975 7 Al 2.4804024 0.0259640 0.0966629 0.0678987 2.4485623 -0.0169317 -0.1153283 -0.0187608 2.8236505 8 Al 2.4804024 -0.0259640 0.0966629 -0.0678987 2.4485623 0.0169317 -0.1153283 0.0187608 2.8236505 9 O -2.5533851 -0.4765583 0.4790892 -0.5951783 -2.9894898 0.4919961 0.3331601 0.2988317 -2.3191546 10 O -2.5919980 -0.0175190 -0.5052004 -0.0658808 -1.8739159 -0.0377448 -0.2425555 -0.0360140 -2.3903668 11 O -2.3558998 0.5783027 0.2468746 0.4310084 -2.5853131 -0.1925254 0.2610026 -0.2418938 -2.0413438 12 O -2.1281484 0.0220177 0.0468697 0.0267858 -1.8697376 -0.0769317 -0.0053572 -0.0288015 -2.8406241 13 O -2.5919980 0.0175190 -0.5052004 0.0658808 -1.8739159 0.0377448 -0.2425555 0.0360140 -2.3903668 14 O -2.4393867 -0.3219617 0.2553921 -0.4128656 -2.5213335 0.1881972 0.3934481 0.1484698 -2.2225902 15 O -2.5533851 0.4765583 0.4790892 0.5951783 -2.9894898 -0.4919961 0.3331601 -0.2988317 -2.3191546 16 O -2.4393867 0.3219617 0.2553921 0.4128656 -2.5213335 -0.1881972 0.3934481 -0.1484698 -2.2225902 17 O -2.1281484 -0.0220177 0.0468697 -0.0267858 -1.8697376 0.0769317 -0.0053572 0.0288015 -2.8406241 18 O -2.3558998 -0.5783027 0.2468746 -0.4310084 -2.5853131 0.1925254 0.2610026 0.2418938 -2.0413438 ---------------------------------------------------------------------------- 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: 12204/12204 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5940 Number of blocks in projector: 5940 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 286 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 26 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 286 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 26 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 178 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5940, 5860), data: False |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 7), data: (500, 16) @ (16, 7) |-- (250, 243), data: True |-- (250, 241), data: True |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 7), data: (500, 16) @ (16, 7) |-- (250, 243), data: True |-- (250, 241), data: True |-- (684, 675), data: False |-- (684, 6), data: (684, 15) @ (15, 6) |-- (184, 178), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1278), data: False |-- (1296, 26), data: (1296, 44) @ (44, 26) |-- (296, 286), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 26), data: (1296, 44) @ (44, 26) |-- (296, 286), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 1120 - Time: 2.248 Solver_block: 200 / 1120 - Time: 1.965 Solver_block: 300 / 1120 - Time: 2.074 Solver_block: 400 / 1120 - Time: 2.092 Solver_block: 500 / 1120 - Time: 2.294 Solver_block: 600 / 1120 - Time: 1.958 Solver_block: 700 / 1120 - Time: 2.057 Solver_block: 800 / 1120 - Time: 1.885 Solver_block: 900 / 1120 - Time: 2.211 Solver_block: 1000 / 1120 - Time: 2.226 Solver_block: 1100 / 1120 - Time: 2.349 Solver_block: 1120 / 1120 - Time: 0.639 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 24.912 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 12204/12204 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5940 Number of blocks in projector: 5940 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 286 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 26 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 286 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 26 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 178 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5940, 5860), data: False |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 7), data: (500, 16) @ (16, 7) |-- (250, 243), data: True |-- (250, 241), data: True |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 7), data: (500, 16) @ (16, 7) |-- (250, 243), data: True |-- (250, 241), data: True |-- (684, 675), data: False |-- (684, 6), data: (684, 15) @ (15, 6) |-- (184, 178), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1278), data: False |-- (1296, 26), data: (1296, 44) @ (44, 26) |-- (296, 286), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 26), data: (1296, 44) @ (44, 26) |-- (296, 286), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 12:00:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:00:32]------------------------- 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 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1 (4) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.337196150394645 0.000000000000000 0.000000000000000 b 0.000000000000000 6.118885150000000 0.000000000000000 c -3.568258476941891 0.000000000000000 6.659710699655018 Atomic positions (fractional): 1 Ba 0.13859987892286 0.75810994185408 0.39837189673862 137.327 2 Ba 0.70093468216454 0.75512959697338 0.85470836471524 137.327 3 Ba 0.86140012107714 0.25810994185408 0.60162810326138 137.327 4 Ba 0.29906531783546 0.25512959697338 0.14529163528476 137.327 5 Nd 0.59539669300530 0.75982036943193 0.33047102546226 144.242 6 Nd 0.40460330699470 0.25982036943193 0.66952897453774 144.242 7 Al 0.82904417219917 0.27369419773737 0.16445456146659 26.982 8 Al 0.17095582780083 0.77369419773737 0.83554543853341 26.982 9 O 0.49944182318588 0.49682105320855 0.48755441973956 15.999 10 O 0.90894444879702 0.73367246480080 0.64757864329136 15.999 11 O 0.31843569539001 0.58504775869091 0.77632271635158 15.999 12 O 0.77934554179182 0.24025502683176 0.91183883233521 15.999 13 O 0.09105555120298 0.23367246480080 0.35242135670864 15.999 14 O 0.23089832836209 0.04544963047123 0.79758954204248 15.999 15 O 0.50055817681412 0.99682105320855 0.51244558026044 15.999 16 O 0.76910167163791 0.54544963047123 0.20241045795752 15.999 17 O 0.22065445820818 0.74025502683176 0.08816116766479 15.999 18 O 0.68156430460999 0.08504775869091 0.22367728364842 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.674392300789290 0.000000000000000 0.000000000000000 b 0.000000000000000 12.237770299999999 0.000000000000000 c -7.136516953883782 0.000000000000000 13.319421399310036 Atomic positions (fractional): 1 Ba 0.06929993946143 0.37905497092704 0.19918594836931 137.327 > 1 2 Ba 0.56929993946143 0.37905497092704 0.19918594836931 137.327 > 1 3 Ba 0.06929993946143 0.87905497092704 0.19918594836931 137.327 > 1 4 Ba 0.56929993946143 0.87905497092704 0.19918594836931 137.327 > 1 5 Ba 0.06929993946143 0.37905497092704 0.69918594836931 137.327 > 1 6 Ba 0.56929993946143 0.37905497092704 0.69918594836931 137.327 > 1 7 Ba 0.06929993946143 0.87905497092704 0.69918594836931 137.327 > 1 8 Ba 0.56929993946143 0.87905497092704 0.69918594836931 137.327 > 1 9 Ba 0.35046734108227 0.37756479848669 0.42735418235762 137.327 > 9 10 Ba 0.85046734108227 0.37756479848669 0.42735418235762 137.327 > 9 11 Ba 0.35046734108227 0.87756479848669 0.42735418235762 137.327 > 9 12 Ba 0.85046734108227 0.87756479848669 0.42735418235762 137.327 > 9 13 Ba 0.35046734108227 0.37756479848669 0.92735418235762 137.327 > 9 14 Ba 0.85046734108227 0.37756479848669 0.92735418235762 137.327 > 9 15 Ba 0.35046734108227 0.87756479848669 0.92735418235762 137.327 > 9 16 Ba 0.85046734108227 0.87756479848669 0.92735418235762 137.327 > 9 17 Ba 0.43070006053857 0.12905497092704 0.30081405163069 137.327 > 17 18 Ba 0.93070006053857 0.12905497092704 0.30081405163069 137.327 > 17 19 Ba 0.43070006053857 0.62905497092704 0.30081405163069 137.327 > 17 20 Ba 0.93070006053857 0.62905497092704 0.30081405163069 137.327 > 17 21 Ba 0.43070006053857 0.12905497092704 0.80081405163069 137.327 > 17 22 Ba 0.93070006053857 0.12905497092704 0.80081405163069 137.327 > 17 23 Ba 0.43070006053857 0.62905497092704 0.80081405163069 137.327 > 17 24 Ba 0.93070006053857 0.62905497092704 0.80081405163069 137.327 > 17 25 Ba 0.14953265891773 0.12756479848669 0.07264581764238 137.327 > 25 26 Ba 0.64953265891773 0.12756479848669 0.07264581764238 137.327 > 25 27 Ba 0.14953265891773 0.62756479848669 0.07264581764238 137.327 > 25 28 Ba 0.64953265891773 0.62756479848669 0.07264581764238 137.327 > 25 29 Ba 0.14953265891773 0.12756479848669 0.57264581764238 137.327 > 25 30 Ba 0.64953265891773 0.12756479848669 0.57264581764238 137.327 > 25 31 Ba 0.14953265891773 0.62756479848669 0.57264581764238 137.327 > 25 32 Ba 0.64953265891773 0.62756479848669 0.57264581764238 137.327 > 25 33 Nd 0.29769834650265 0.37991018471597 0.16523551273113 144.242 > 33 34 Nd 0.79769834650265 0.37991018471597 0.16523551273113 144.242 > 33 35 Nd 0.29769834650265 0.87991018471597 0.16523551273113 144.242 > 33 36 Nd 0.79769834650265 0.87991018471597 0.16523551273113 144.242 > 33 37 Nd 0.29769834650265 0.37991018471597 0.66523551273113 144.242 > 33 38 Nd 0.79769834650265 0.37991018471597 0.66523551273113 144.242 > 33 39 Nd 0.29769834650265 0.87991018471597 0.66523551273113 144.242 > 33 40 Nd 0.79769834650265 0.87991018471597 0.66523551273113 144.242 > 33 41 Nd 0.20230165349735 0.12991018471597 0.33476448726887 144.242 > 41 42 Nd 0.70230165349735 0.12991018471597 0.33476448726887 144.242 > 41 43 Nd 0.20230165349735 0.62991018471597 0.33476448726887 144.242 > 41 44 Nd 0.70230165349735 0.62991018471597 0.33476448726887 144.242 > 41 45 Nd 0.20230165349735 0.12991018471597 0.83476448726887 144.242 > 41 46 Nd 0.70230165349735 0.12991018471597 0.83476448726887 144.242 > 41 47 Nd 0.20230165349735 0.62991018471597 0.83476448726887 144.242 > 41 48 Nd 0.70230165349735 0.62991018471597 0.83476448726887 144.242 > 41 49 Al 0.41452208609959 0.13684709886868 0.08222728073329 26.982 > 49 50 Al 0.91452208609959 0.13684709886868 0.08222728073329 26.982 > 49 51 Al 0.41452208609959 0.63684709886868 0.08222728073329 26.982 > 49 52 Al 0.91452208609959 0.63684709886868 0.08222728073329 26.982 > 49 53 Al 0.41452208609959 0.13684709886868 0.58222728073329 26.982 > 49 54 Al 0.91452208609959 0.13684709886868 0.58222728073329 26.982 > 49 55 Al 0.41452208609959 0.63684709886868 0.58222728073329 26.982 > 49 56 Al 0.91452208609959 0.63684709886868 0.58222728073329 26.982 > 49 57 Al 0.08547791390041 0.38684709886868 0.41777271926671 26.982 > 57 58 Al 0.58547791390042 0.38684709886868 0.41777271926671 26.982 > 57 59 Al 0.08547791390041 0.88684709886868 0.41777271926671 26.982 > 57 60 Al 0.58547791390042 0.88684709886868 0.41777271926671 26.982 > 57 61 Al 0.08547791390041 0.38684709886868 0.91777271926671 26.982 > 57 62 Al 0.58547791390042 0.38684709886868 0.91777271926671 26.982 > 57 63 Al 0.08547791390041 0.88684709886868 0.91777271926671 26.982 > 57 64 Al 0.58547791390042 0.88684709886868 0.91777271926671 26.982 > 57 65 O 0.24972091159294 0.24841052660428 0.24377720986978 15.999 > 65 66 O 0.74972091159294 0.24841052660428 0.24377720986978 15.999 > 65 67 O 0.24972091159294 0.74841052660427 0.24377720986978 15.999 > 65 68 O 0.74972091159294 0.74841052660427 0.24377720986978 15.999 > 65 69 O 0.24972091159294 0.24841052660428 0.74377720986978 15.999 > 65 70 O 0.74972091159294 0.24841052660428 0.74377720986978 15.999 > 65 71 O 0.24972091159294 0.74841052660427 0.74377720986978 15.999 > 65 72 O 0.74972091159294 0.74841052660427 0.74377720986978 15.999 > 65 73 O 0.45447222439851 0.36683623240040 0.32378932164568 15.999 > 73 74 O 0.95447222439851 0.36683623240040 0.32378932164568 15.999 > 73 75 O 0.45447222439851 0.86683623240040 0.32378932164568 15.999 > 73 76 O 0.95447222439851 0.86683623240040 0.32378932164568 15.999 > 73 77 O 0.45447222439851 0.36683623240040 0.82378932164568 15.999 > 73 78 O 0.95447222439851 0.36683623240040 0.82378932164568 15.999 > 73 79 O 0.45447222439851 0.86683623240040 0.82378932164568 15.999 > 73 80 O 0.95447222439851 0.86683623240040 0.82378932164568 15.999 > 73 81 O 0.15921784769500 0.29252387934545 0.38816135817579 15.999 > 81 82 O 0.65921784769500 0.29252387934545 0.38816135817579 15.999 > 81 83 O 0.15921784769500 0.79252387934545 0.38816135817579 15.999 > 81 84 O 0.65921784769500 0.79252387934545 0.38816135817579 15.999 > 81 85 O 0.15921784769500 0.29252387934545 0.88816135817579 15.999 > 81 86 O 0.65921784769500 0.29252387934545 0.88816135817579 15.999 > 81 87 O 0.15921784769500 0.79252387934545 0.88816135817579 15.999 > 81 88 O 0.65921784769500 0.79252387934545 0.88816135817579 15.999 > 81 89 O 0.38967277089591 0.12012751341588 0.45591941616761 15.999 > 89 90 O 0.88967277089591 0.12012751341588 0.45591941616761 15.999 > 89 91 O 0.38967277089591 0.62012751341588 0.45591941616761 15.999 > 89 92 O 0.88967277089591 0.62012751341588 0.45591941616761 15.999 > 89 93 O 0.38967277089591 0.12012751341588 0.95591941616761 15.999 > 89 94 O 0.88967277089591 0.12012751341588 0.95591941616761 15.999 > 89 95 O 0.38967277089591 0.62012751341588 0.95591941616761 15.999 > 89 96 O 0.88967277089591 0.62012751341588 0.95591941616761 15.999 > 89 97 O 0.04552777560149 0.11683623240040 0.17621067835432 15.999 > 97 98 O 0.54552777560149 0.11683623240040 0.17621067835432 15.999 > 97 99 O 0.04552777560149 0.61683623240040 0.17621067835432 15.999 > 97 100 O 0.54552777560149 0.61683623240040 0.17621067835432 15.999 > 97 101 O 0.04552777560149 0.11683623240040 0.67621067835432 15.999 > 97 102 O 0.54552777560149 0.11683623240040 0.67621067835432 15.999 > 97 103 O 0.04552777560149 0.61683623240040 0.67621067835432 15.999 > 97 104 O 0.54552777560149 0.61683623240040 0.67621067835432 15.999 > 97 105 O 0.11544916418105 0.02272481523562 0.39879477102124 15.999 > 105 106 O 0.61544916418105 0.02272481523562 0.39879477102124 15.999 > 105 107 O 0.11544916418105 0.52272481523562 0.39879477102124 15.999 > 105 108 O 0.61544916418105 0.52272481523562 0.39879477102124 15.999 > 105 109 O 0.11544916418105 0.02272481523562 0.89879477102124 15.999 > 105 110 O 0.61544916418105 0.02272481523562 0.89879477102124 15.999 > 105 111 O 0.11544916418105 0.52272481523562 0.89879477102124 15.999 > 105 112 O 0.61544916418105 0.52272481523562 0.89879477102124 15.999 > 105 113 O 0.25027908840706 0.49841052660427 0.25622279013022 15.999 > 113 114 O 0.75027908840706 0.49841052660427 0.25622279013022 15.999 > 113 115 O 0.25027908840706 0.99841052660427 0.25622279013022 15.999 > 113 116 O 0.75027908840706 0.99841052660427 0.25622279013022 15.999 > 113 117 O 0.25027908840706 0.49841052660427 0.75622279013022 15.999 > 113 118 O 0.75027908840706 0.49841052660427 0.75622279013022 15.999 > 113 119 O 0.25027908840706 0.99841052660427 0.75622279013022 15.999 > 113 120 O 0.75027908840706 0.99841052660427 0.75622279013022 15.999 > 113 121 O 0.38455083581895 0.27272481523562 0.10120522897876 15.999 > 121 122 O 0.88455083581895 0.27272481523562 0.10120522897876 15.999 > 121 123 O 0.38455083581895 0.77272481523562 0.10120522897876 15.999 > 121 124 O 0.88455083581895 0.77272481523562 0.10120522897876 15.999 > 121 125 O 0.38455083581895 0.27272481523562 0.60120522897876 15.999 > 121 126 O 0.88455083581895 0.27272481523562 0.60120522897876 15.999 > 121 127 O 0.38455083581895 0.77272481523562 0.60120522897876 15.999 > 121 128 O 0.88455083581895 0.77272481523562 0.60120522897876 15.999 > 121 129 O 0.11032722910409 0.37012751341588 0.04408058383239 15.999 > 129 130 O 0.61032722910409 0.37012751341588 0.04408058383239 15.999 > 129 131 O 0.11032722910409 0.87012751341588 0.04408058383239 15.999 > 129 132 O 0.61032722910409 0.87012751341588 0.04408058383239 15.999 > 129 133 O 0.11032722910409 0.37012751341588 0.54408058383239 15.999 > 129 134 O 0.61032722910409 0.37012751341588 0.54408058383239 15.999 > 129 135 O 0.11032722910409 0.87012751341588 0.54408058383239 15.999 > 129 136 O 0.61032722910409 0.87012751341588 0.54408058383239 15.999 > 129 137 O 0.34078215230500 0.04252387934545 0.11183864182421 15.999 > 137 138 O 0.84078215230500 0.04252387934545 0.11183864182421 15.999 > 137 139 O 0.34078215230500 0.54252387934545 0.11183864182421 15.999 > 137 140 O 0.84078215230500 0.54252387934545 0.11183864182421 15.999 > 137 141 O 0.34078215230500 0.04252387934545 0.61183864182421 15.999 > 137 142 O 0.84078215230500 0.04252387934545 0.61183864182421 15.999 > 137 143 O 0.34078215230500 0.54252387934545 0.61183864182421 15.999 > 137 144 O 0.84078215230500 0.54252387934545 0.61183864182421 15.999 > 137 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0973253 0.0000000 -0.1130310 0.0000000 4.0633156 0.0000000 -0.1130284 0.0000000 4.0289065 -------------------------- Born effective charges -------------------------- 1 Ba 2.9186552 0.1367867 -0.0305034 0.1145416 2.5993038 -0.0236719 -0.0808566 0.0285789 2.3892690 2 Ba 2.5325667 0.1569686 -0.2514514 0.1845911 2.5463778 -0.1562072 -0.2379663 -0.1810618 2.9052626 3 Ba 2.9186552 -0.1367867 -0.0305034 -0.1145416 2.5993038 0.0236719 -0.0808566 -0.0285789 2.3892690 4 Ba 2.5325667 -0.1569686 -0.2514514 -0.1845911 2.5463778 0.1562072 -0.2379663 0.1810618 2.9052626 5 Nd 4.1371936 -0.0033809 -0.3377333 -0.0690251 4.2455461 -0.1067104 -0.3055468 -0.0791739 3.6958975 6 Nd 4.1371936 0.0033809 -0.3377333 0.0690251 4.2455461 0.1067104 -0.3055468 0.0791739 3.6958975 7 Al 2.4804024 0.0259640 0.0966629 0.0678987 2.4485623 -0.0169317 -0.1153283 -0.0187608 2.8236505 8 Al 2.4804024 -0.0259640 0.0966629 -0.0678987 2.4485623 0.0169317 -0.1153283 0.0187608 2.8236505 9 O -2.5533851 -0.4765583 0.4790892 -0.5951783 -2.9894898 0.4919961 0.3331601 0.2988317 -2.3191546 10 O -2.5919980 -0.0175190 -0.5052004 -0.0658808 -1.8739159 -0.0377448 -0.2425555 -0.0360140 -2.3903668 11 O -2.3558998 0.5783027 0.2468746 0.4310084 -2.5853131 -0.1925254 0.2610026 -0.2418938 -2.0413438 12 O -2.1281484 0.0220177 0.0468697 0.0267858 -1.8697376 -0.0769317 -0.0053572 -0.0288015 -2.8406241 13 O -2.5919980 0.0175190 -0.5052004 0.0658808 -1.8739159 0.0377448 -0.2425555 0.0360140 -2.3903668 14 O -2.4393867 -0.3219617 0.2553921 -0.4128656 -2.5213335 0.1881972 0.3934481 0.1484698 -2.2225902 15 O -2.5533851 0.4765583 0.4790892 0.5951783 -2.9894898 -0.4919961 0.3331601 -0.2988317 -2.3191546 16 O -2.4393867 0.3219617 0.2553921 0.4128656 -2.5213335 -0.1881972 0.3934481 -0.1484698 -2.2225902 17 O -2.1281484 -0.0220177 0.0468697 -0.0267858 -1.8697376 0.0769317 -0.0053572 0.0288015 -2.8406241 18 O -2.3558998 -0.5783027 0.2468746 -0.4310084 -2.5853131 0.1925254 0.2610026 0.2418938 -2.0413438 ---------------------------------------------------------------------------- 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 73, 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 105, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000540 (xxx) 0.00000540 (xxx) 0.00000540 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000554 (zy) -0.00000554 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:01:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:01:33]------------------------- 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 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1 (4) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.337196150394645 0.000000000000000 0.000000000000000 b 0.000000000000000 6.118885150000000 0.000000000000000 c -3.568258476941891 0.000000000000000 6.659710699655018 Atomic positions (fractional): 1 Ba 0.13859987892286 0.75810994185408 0.39837189673862 137.327 2 Ba 0.70093468216454 0.75512959697338 0.85470836471524 137.327 3 Ba 0.86140012107714 0.25810994185408 0.60162810326138 137.327 4 Ba 0.29906531783546 0.25512959697338 0.14529163528476 137.327 5 Nd 0.59539669300530 0.75982036943193 0.33047102546226 144.242 6 Nd 0.40460330699470 0.25982036943193 0.66952897453774 144.242 7 Al 0.82904417219917 0.27369419773737 0.16445456146659 26.982 8 Al 0.17095582780083 0.77369419773737 0.83554543853341 26.982 9 O 0.49944182318588 0.49682105320855 0.48755441973956 15.999 10 O 0.90894444879702 0.73367246480080 0.64757864329136 15.999 11 O 0.31843569539001 0.58504775869091 0.77632271635158 15.999 12 O 0.77934554179182 0.24025502683176 0.91183883233521 15.999 13 O 0.09105555120298 0.23367246480080 0.35242135670864 15.999 14 O 0.23089832836209 0.04544963047123 0.79758954204248 15.999 15 O 0.50055817681412 0.99682105320855 0.51244558026044 15.999 16 O 0.76910167163791 0.54544963047123 0.20241045795752 15.999 17 O 0.22065445820818 0.74025502683176 0.08816116766479 15.999 18 O 0.68156430460999 0.08504775869091 0.22367728364842 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.674392300789290 0.000000000000000 0.000000000000000 b 0.000000000000000 12.237770299999999 0.000000000000000 c -7.136516953883782 0.000000000000000 13.319421399310036 Atomic positions (fractional): 1 Ba 0.06929993946143 0.37905497092704 0.19918594836931 137.327 > 1 2 Ba 0.56929993946143 0.37905497092704 0.19918594836931 137.327 > 1 3 Ba 0.06929993946143 0.87905497092704 0.19918594836931 137.327 > 1 4 Ba 0.56929993946143 0.87905497092704 0.19918594836931 137.327 > 1 5 Ba 0.06929993946143 0.37905497092704 0.69918594836931 137.327 > 1 6 Ba 0.56929993946143 0.37905497092704 0.69918594836931 137.327 > 1 7 Ba 0.06929993946143 0.87905497092704 0.69918594836931 137.327 > 1 8 Ba 0.56929993946143 0.87905497092704 0.69918594836931 137.327 > 1 9 Ba 0.35046734108227 0.37756479848669 0.42735418235762 137.327 > 9 10 Ba 0.85046734108227 0.37756479848669 0.42735418235762 137.327 > 9 11 Ba 0.35046734108227 0.87756479848669 0.42735418235762 137.327 > 9 12 Ba 0.85046734108227 0.87756479848669 0.42735418235762 137.327 > 9 13 Ba 0.35046734108227 0.37756479848669 0.92735418235762 137.327 > 9 14 Ba 0.85046734108227 0.37756479848669 0.92735418235762 137.327 > 9 15 Ba 0.35046734108227 0.87756479848669 0.92735418235762 137.327 > 9 16 Ba 0.85046734108227 0.87756479848669 0.92735418235762 137.327 > 9 17 Ba 0.43070006053857 0.12905497092704 0.30081405163069 137.327 > 17 18 Ba 0.93070006053857 0.12905497092704 0.30081405163069 137.327 > 17 19 Ba 0.43070006053857 0.62905497092704 0.30081405163069 137.327 > 17 20 Ba 0.93070006053857 0.62905497092704 0.30081405163069 137.327 > 17 21 Ba 0.43070006053857 0.12905497092704 0.80081405163069 137.327 > 17 22 Ba 0.93070006053857 0.12905497092704 0.80081405163069 137.327 > 17 23 Ba 0.43070006053857 0.62905497092704 0.80081405163069 137.327 > 17 24 Ba 0.93070006053857 0.62905497092704 0.80081405163069 137.327 > 17 25 Ba 0.14953265891773 0.12756479848669 0.07264581764238 137.327 > 25 26 Ba 0.64953265891773 0.12756479848669 0.07264581764238 137.327 > 25 27 Ba 0.14953265891773 0.62756479848669 0.07264581764238 137.327 > 25 28 Ba 0.64953265891773 0.62756479848669 0.07264581764238 137.327 > 25 29 Ba 0.14953265891773 0.12756479848669 0.57264581764238 137.327 > 25 30 Ba 0.64953265891773 0.12756479848669 0.57264581764238 137.327 > 25 31 Ba 0.14953265891773 0.62756479848669 0.57264581764238 137.327 > 25 32 Ba 0.64953265891773 0.62756479848669 0.57264581764238 137.327 > 25 33 Nd 0.29769834650265 0.37991018471597 0.16523551273113 144.242 > 33 34 Nd 0.79769834650265 0.37991018471597 0.16523551273113 144.242 > 33 35 Nd 0.29769834650265 0.87991018471597 0.16523551273113 144.242 > 33 36 Nd 0.79769834650265 0.87991018471597 0.16523551273113 144.242 > 33 37 Nd 0.29769834650265 0.37991018471597 0.66523551273113 144.242 > 33 38 Nd 0.79769834650265 0.37991018471597 0.66523551273113 144.242 > 33 39 Nd 0.29769834650265 0.87991018471597 0.66523551273113 144.242 > 33 40 Nd 0.79769834650265 0.87991018471597 0.66523551273113 144.242 > 33 41 Nd 0.20230165349735 0.12991018471597 0.33476448726887 144.242 > 41 42 Nd 0.70230165349735 0.12991018471597 0.33476448726887 144.242 > 41 43 Nd 0.20230165349735 0.62991018471597 0.33476448726887 144.242 > 41 44 Nd 0.70230165349735 0.62991018471597 0.33476448726887 144.242 > 41 45 Nd 0.20230165349735 0.12991018471597 0.83476448726887 144.242 > 41 46 Nd 0.70230165349735 0.12991018471597 0.83476448726887 144.242 > 41 47 Nd 0.20230165349735 0.62991018471597 0.83476448726887 144.242 > 41 48 Nd 0.70230165349735 0.62991018471597 0.83476448726887 144.242 > 41 49 Al 0.41452208609959 0.13684709886868 0.08222728073329 26.982 > 49 50 Al 0.91452208609959 0.13684709886868 0.08222728073329 26.982 > 49 51 Al 0.41452208609959 0.63684709886868 0.08222728073329 26.982 > 49 52 Al 0.91452208609959 0.63684709886868 0.08222728073329 26.982 > 49 53 Al 0.41452208609959 0.13684709886868 0.58222728073329 26.982 > 49 54 Al 0.91452208609959 0.13684709886868 0.58222728073329 26.982 > 49 55 Al 0.41452208609959 0.63684709886868 0.58222728073329 26.982 > 49 56 Al 0.91452208609959 0.63684709886868 0.58222728073329 26.982 > 49 57 Al 0.08547791390041 0.38684709886868 0.41777271926671 26.982 > 57 58 Al 0.58547791390042 0.38684709886868 0.41777271926671 26.982 > 57 59 Al 0.08547791390041 0.88684709886868 0.41777271926671 26.982 > 57 60 Al 0.58547791390042 0.88684709886868 0.41777271926671 26.982 > 57 61 Al 0.08547791390041 0.38684709886868 0.91777271926671 26.982 > 57 62 Al 0.58547791390042 0.38684709886868 0.91777271926671 26.982 > 57 63 Al 0.08547791390041 0.88684709886868 0.91777271926671 26.982 > 57 64 Al 0.58547791390042 0.88684709886868 0.91777271926671 26.982 > 57 65 O 0.24972091159294 0.24841052660428 0.24377720986978 15.999 > 65 66 O 0.74972091159294 0.24841052660428 0.24377720986978 15.999 > 65 67 O 0.24972091159294 0.74841052660427 0.24377720986978 15.999 > 65 68 O 0.74972091159294 0.74841052660427 0.24377720986978 15.999 > 65 69 O 0.24972091159294 0.24841052660428 0.74377720986978 15.999 > 65 70 O 0.74972091159294 0.24841052660428 0.74377720986978 15.999 > 65 71 O 0.24972091159294 0.74841052660427 0.74377720986978 15.999 > 65 72 O 0.74972091159294 0.74841052660427 0.74377720986978 15.999 > 65 73 O 0.45447222439851 0.36683623240040 0.32378932164568 15.999 > 73 74 O 0.95447222439851 0.36683623240040 0.32378932164568 15.999 > 73 75 O 0.45447222439851 0.86683623240040 0.32378932164568 15.999 > 73 76 O 0.95447222439851 0.86683623240040 0.32378932164568 15.999 > 73 77 O 0.45447222439851 0.36683623240040 0.82378932164568 15.999 > 73 78 O 0.95447222439851 0.36683623240040 0.82378932164568 15.999 > 73 79 O 0.45447222439851 0.86683623240040 0.82378932164568 15.999 > 73 80 O 0.95447222439851 0.86683623240040 0.82378932164568 15.999 > 73 81 O 0.15921784769500 0.29252387934545 0.38816135817579 15.999 > 81 82 O 0.65921784769500 0.29252387934545 0.38816135817579 15.999 > 81 83 O 0.15921784769500 0.79252387934545 0.38816135817579 15.999 > 81 84 O 0.65921784769500 0.79252387934545 0.38816135817579 15.999 > 81 85 O 0.15921784769500 0.29252387934545 0.88816135817579 15.999 > 81 86 O 0.65921784769500 0.29252387934545 0.88816135817579 15.999 > 81 87 O 0.15921784769500 0.79252387934545 0.88816135817579 15.999 > 81 88 O 0.65921784769500 0.79252387934545 0.88816135817579 15.999 > 81 89 O 0.38967277089591 0.12012751341588 0.45591941616761 15.999 > 89 90 O 0.88967277089591 0.12012751341588 0.45591941616761 15.999 > 89 91 O 0.38967277089591 0.62012751341588 0.45591941616761 15.999 > 89 92 O 0.88967277089591 0.62012751341588 0.45591941616761 15.999 > 89 93 O 0.38967277089591 0.12012751341588 0.95591941616761 15.999 > 89 94 O 0.88967277089591 0.12012751341588 0.95591941616761 15.999 > 89 95 O 0.38967277089591 0.62012751341588 0.95591941616761 15.999 > 89 96 O 0.88967277089591 0.62012751341588 0.95591941616761 15.999 > 89 97 O 0.04552777560149 0.11683623240040 0.17621067835432 15.999 > 97 98 O 0.54552777560149 0.11683623240040 0.17621067835432 15.999 > 97 99 O 0.04552777560149 0.61683623240040 0.17621067835432 15.999 > 97 100 O 0.54552777560149 0.61683623240040 0.17621067835432 15.999 > 97 101 O 0.04552777560149 0.11683623240040 0.67621067835432 15.999 > 97 102 O 0.54552777560149 0.11683623240040 0.67621067835432 15.999 > 97 103 O 0.04552777560149 0.61683623240040 0.67621067835432 15.999 > 97 104 O 0.54552777560149 0.61683623240040 0.67621067835432 15.999 > 97 105 O 0.11544916418105 0.02272481523562 0.39879477102124 15.999 > 105 106 O 0.61544916418105 0.02272481523562 0.39879477102124 15.999 > 105 107 O 0.11544916418105 0.52272481523562 0.39879477102124 15.999 > 105 108 O 0.61544916418105 0.52272481523562 0.39879477102124 15.999 > 105 109 O 0.11544916418105 0.02272481523562 0.89879477102124 15.999 > 105 110 O 0.61544916418105 0.02272481523562 0.89879477102124 15.999 > 105 111 O 0.11544916418105 0.52272481523562 0.89879477102124 15.999 > 105 112 O 0.61544916418105 0.52272481523562 0.89879477102124 15.999 > 105 113 O 0.25027908840706 0.49841052660427 0.25622279013022 15.999 > 113 114 O 0.75027908840706 0.49841052660427 0.25622279013022 15.999 > 113 115 O 0.25027908840706 0.99841052660427 0.25622279013022 15.999 > 113 116 O 0.75027908840706 0.99841052660427 0.25622279013022 15.999 > 113 117 O 0.25027908840706 0.49841052660427 0.75622279013022 15.999 > 113 118 O 0.75027908840706 0.49841052660427 0.75622279013022 15.999 > 113 119 O 0.25027908840706 0.99841052660427 0.75622279013022 15.999 > 113 120 O 0.75027908840706 0.99841052660427 0.75622279013022 15.999 > 113 121 O 0.38455083581895 0.27272481523562 0.10120522897876 15.999 > 121 122 O 0.88455083581895 0.27272481523562 0.10120522897876 15.999 > 121 123 O 0.38455083581895 0.77272481523562 0.10120522897876 15.999 > 121 124 O 0.88455083581895 0.77272481523562 0.10120522897876 15.999 > 121 125 O 0.38455083581895 0.27272481523562 0.60120522897876 15.999 > 121 126 O 0.88455083581895 0.27272481523562 0.60120522897876 15.999 > 121 127 O 0.38455083581895 0.77272481523562 0.60120522897876 15.999 > 121 128 O 0.88455083581895 0.77272481523562 0.60120522897876 15.999 > 121 129 O 0.11032722910409 0.37012751341588 0.04408058383239 15.999 > 129 130 O 0.61032722910409 0.37012751341588 0.04408058383239 15.999 > 129 131 O 0.11032722910409 0.87012751341588 0.04408058383239 15.999 > 129 132 O 0.61032722910409 0.87012751341588 0.04408058383239 15.999 > 129 133 O 0.11032722910409 0.37012751341588 0.54408058383239 15.999 > 129 134 O 0.61032722910409 0.37012751341588 0.54408058383239 15.999 > 129 135 O 0.11032722910409 0.87012751341588 0.54408058383239 15.999 > 129 136 O 0.61032722910409 0.87012751341588 0.54408058383239 15.999 > 129 137 O 0.34078215230500 0.04252387934545 0.11183864182421 15.999 > 137 138 O 0.84078215230500 0.04252387934545 0.11183864182421 15.999 > 137 139 O 0.34078215230500 0.54252387934545 0.11183864182421 15.999 > 137 140 O 0.84078215230500 0.54252387934545 0.11183864182421 15.999 > 137 141 O 0.34078215230500 0.04252387934545 0.61183864182421 15.999 > 137 142 O 0.84078215230500 0.04252387934545 0.61183864182421 15.999 > 137 143 O 0.34078215230500 0.54252387934545 0.61183864182421 15.999 > 137 144 O 0.84078215230500 0.54252387934545 0.61183864182421 15.999 > 137 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.0973253 0.0000000 -0.1130310 0.0000000 4.0633156 0.0000000 -0.1130284 0.0000000 4.0289065 -------------------------- Born effective charges -------------------------- 1 Ba 2.9186552 0.1367867 -0.0305034 0.1145416 2.5993038 -0.0236719 -0.0808566 0.0285789 2.3892690 2 Ba 2.5325667 0.1569686 -0.2514514 0.1845911 2.5463778 -0.1562072 -0.2379663 -0.1810618 2.9052626 3 Ba 2.9186552 -0.1367867 -0.0305034 -0.1145416 2.5993038 0.0236719 -0.0808566 -0.0285789 2.3892690 4 Ba 2.5325667 -0.1569686 -0.2514514 -0.1845911 2.5463778 0.1562072 -0.2379663 0.1810618 2.9052626 5 Nd 4.1371936 -0.0033809 -0.3377333 -0.0690251 4.2455461 -0.1067104 -0.3055468 -0.0791739 3.6958975 6 Nd 4.1371936 0.0033809 -0.3377333 0.0690251 4.2455461 0.1067104 -0.3055468 0.0791739 3.6958975 7 Al 2.4804024 0.0259640 0.0966629 0.0678987 2.4485623 -0.0169317 -0.1153283 -0.0187608 2.8236505 8 Al 2.4804024 -0.0259640 0.0966629 -0.0678987 2.4485623 0.0169317 -0.1153283 0.0187608 2.8236505 9 O -2.5533851 -0.4765583 0.4790892 -0.5951783 -2.9894898 0.4919961 0.3331601 0.2988317 -2.3191546 10 O -2.5919980 -0.0175190 -0.5052004 -0.0658808 -1.8739159 -0.0377448 -0.2425555 -0.0360140 -2.3903668 11 O -2.3558998 0.5783027 0.2468746 0.4310084 -2.5853131 -0.1925254 0.2610026 -0.2418938 -2.0413438 12 O -2.1281484 0.0220177 0.0468697 0.0267858 -1.8697376 -0.0769317 -0.0053572 -0.0288015 -2.8406241 13 O -2.5919980 0.0175190 -0.5052004 0.0658808 -1.8739159 0.0377448 -0.2425555 0.0360140 -2.3903668 14 O -2.4393867 -0.3219617 0.2553921 -0.4128656 -2.5213335 0.1881972 0.3934481 0.1484698 -2.2225902 15 O -2.5533851 0.4765583 0.4790892 0.5951783 -2.9894898 -0.4919961 0.3331601 -0.2988317 -2.3191546 16 O -2.4393867 0.3219617 0.2553921 0.4128656 -2.5213335 -0.1881972 0.3934481 -0.1484698 -2.2225902 17 O -2.1281484 -0.0220177 0.0468697 -0.0267858 -1.8697376 0.0769317 -0.0053572 0.0288015 -2.8406241 18 O -2.3558998 -0.5783027 0.2468746 -0.4310084 -2.5853131 0.1925254 0.2610026 0.2418938 -2.0413438 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000540 (xxx) 0.00000540 (xxx) 0.00000540 (xxx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 8 ] 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: 0.62, Number of G-points: 285, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/170) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.468 ( 0.000 0.000 0.000) 0.000 1.576 ( 0.000 0.000 0.000) 0.000 1.628 ( 0.000 0.000 0.000) 0.000 1.946 ( 0.000 0.000 0.000) 0.000 1.965 ( 0.000 0.000 0.000) 0.000 2.203 ( 0.000 0.000 0.000) 0.000 2.439 ( 0.000 0.000 0.000) 0.000 2.561 ( 0.000 0.000 0.000) 0.000 2.726 ( 0.000 0.000 0.000) 0.000 3.125 ( 0.000 0.000 0.000) 0.000 3.549 ( 0.000 0.000 0.000) 0.000 3.622 ( 0.000 0.000 0.000) 0.000 3.909 ( 0.000 0.000 0.000) 0.000 4.017 ( 0.000 0.000 0.000) 0.000 4.368 ( 0.000 0.000 0.000) 0.000 4.450 ( 0.000 0.000 0.000) 0.000 4.469 ( 0.000 0.000 0.000) 0.000 4.753 ( 0.000 0.000 0.000) 0.000 4.799 ( 0.000 0.000 0.000) 0.000 5.323 ( 0.000 0.000 0.000) 0.000 5.438 ( 0.000 0.000 0.000) 0.000 5.486 ( 0.000 0.000 0.000) 0.000 5.647 ( 0.000 0.000 0.000) 0.000 6.208 ( 0.000 0.000 0.000) 0.000 6.288 ( 0.000 0.000 0.000) 0.000 6.601 ( 0.000 0.000 0.000) 0.000 6.723 ( 0.000 0.000 0.000) 0.000 7.349 ( 0.000 0.000 0.000) 0.000 7.796 ( 0.000 0.000 0.000) 0.000 7.908 ( 0.000 0.000 0.000) 0.000 8.323 ( 0.000 0.000 0.000) 0.000 8.501 ( 0.000 0.000 0.000) 0.000 9.217 ( 0.000 0.000 0.000) 0.000 9.888 ( 0.000 0.000 0.000) 0.000 11.068 ( 0.000 0.000 0.000) 0.000 11.967 ( 0.000 0.000 0.000) 0.000 12.028 ( 0.000 0.000 0.000) 0.000 12.235 ( 0.000 0.000 0.000) 0.000 12.654 ( 0.000 0.000 0.000) 0.000 12.750 ( 0.000 0.000 0.000) 0.000 13.165 ( 0.000 0.000 0.000) 0.000 13.692 ( 0.000 0.000 0.000) 0.000 16.075 ( 0.000 0.000 0.000) 0.000 20.088 ( 0.000 0.000 0.000) 0.000 20.348 ( 0.000 0.000 0.000) 0.000 20.668 ( 0.000 0.000 0.000) 0.000 20.931 ( 0.000 0.000 0.000) 0.000 20.991 ( 0.000 0.000 0.000) 0.000 21.087 ( 0.000 0.000 0.000) 0.000 21.661 ( 0.000 0.000 0.000) 0.000 22.246 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/170) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.480 ( 24.579 0.000 2.497) 24.706 0.531 ( 27.521 0.000 6.594) 28.300 0.744 ( 34.862 0.000 15.811) 38.280 1.564 ( -1.743 0.000 8.138) 8.323 1.637 ( 8.494 0.000 4.260) 9.503 1.717 ( 8.760 0.000 1.415) 8.873 1.966 ( -0.465 0.000 2.142) 2.192 2.068 ( 9.901 0.000 2.969) 10.337 2.246 ( 2.983 0.000 2.480) 3.879 2.474 ( 3.222 0.000 1.314) 3.479 2.596 ( 1.135 0.000 2.838) 3.057 2.760 ( 3.650 0.000 0.131) 3.652 3.130 ( 3.702 0.000 -5.906) 6.971 3.634 ( -1.851 0.000 5.188) 5.508 3.713 ( -1.087 0.000 5.264) 5.375 3.906 ( 1.904 0.000 -5.056) 5.403 4.096 ( -2.873 0.000 -9.082) 9.525 4.285 ( -9.687 0.000 -0.757) 9.716 4.449 ( -0.756 0.000 -1.137) 1.366 4.536 ( 3.689 0.000 3.390) 5.010 4.678 ( -8.355 0.000 5.019) 9.746 4.909 ( 8.150 0.000 -6.343) 10.327 5.369 ( 3.034 0.000 -0.181) 3.039 5.473 ( 3.077 0.000 -4.035) 5.074 5.628 ( -2.730 0.000 5.429) 6.076 6.019 ( -14.849 0.000 9.765) 17.772 6.234 ( 2.461 0.000 -3.922) 4.630 6.595 ( -5.500 0.000 27.357) 27.904 6.710 ( 3.346 0.000 14.692) 15.068 7.243 ( -6.343 0.000 -6.931) 9.396 7.655 ( 9.921 0.000 -13.621) 16.851 8.064 ( 8.186 0.000 7.329) 10.988 8.147 ( 4.612 0.000 6.410) 7.897 8.518 ( 1.851 0.000 1.032) 2.119 9.136 ( -8.442 0.000 -0.473) 8.455 9.554 ( 2.940 0.000 -9.429) 9.876 10.054 ( -4.929 0.000 -6.413) 8.088 10.976 ( -17.660 0.000 5.032) 18.363 12.017 ( -4.100 0.000 6.407) 7.606 12.225 ( -0.011 0.000 3.426) 3.426 12.366 ( -7.223 0.000 16.167) 17.707 12.765 ( 2.832 0.000 -3.708) 4.666 12.862 ( 5.075 0.000 -5.471) 7.463 13.169 ( 0.286 0.000 -0.076) 0.296 13.702 ( 1.275 0.000 -0.432) 1.346 16.798 ( 39.277 0.000 -77.875) 87.220 20.065 ( -1.118 0.000 -2.802) 3.017 20.377 ( 1.312 0.000 -2.807) 3.099 20.662 ( -1.441 0.000 1.443) 2.039 20.931 ( 0.118 0.000 -0.276) 0.300 21.011 ( 0.204 0.000 0.094) 0.224 21.562 ( -11.989 0.000 10.295) 15.803 21.965 ( -13.727 0.000 50.393) 52.229 22.875 ( 11.658 0.000 -25.867) 28.373 ======================= Grid point 2 (3/170) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( 17.187 0.000 0.267) 17.189 1.048 ( 26.621 0.000 4.360) 26.976 1.420 ( 23.722 0.000 12.973) 27.038 1.601 ( 1.512 0.000 8.997) 9.124 1.744 ( 0.799 0.000 -0.391) 0.890 1.900 ( 7.073 0.000 6.005) 9.278 2.121 ( 11.831 0.000 9.525) 15.188 2.222 ( 2.850 0.000 2.168) 3.581 2.400 ( 12.805 0.000 3.112) 13.178 2.562 ( 4.205 0.000 3.346) 5.374 2.635 ( 2.922 0.000 -4.105) 5.038 2.841 ( 5.773 0.000 -0.652) 5.809 3.153 ( 6.674 0.000 -7.392) 9.960 3.635 ( -4.842 0.000 6.197) 7.864 3.734 ( -1.867 0.000 1.225) 2.232 3.859 ( -4.879 0.000 -3.014) 5.735 3.907 ( -5.975 0.000 -5.054) 7.826 4.113 ( -7.751 0.000 -3.155) 8.368 4.419 ( -4.072 0.000 2.568) 4.814 4.543 ( -3.804 0.000 -1.598) 4.126 4.719 ( 4.131 0.000 10.539) 11.320 5.001 ( 6.457 0.000 -0.278) 6.463 5.340 ( -3.688 0.000 -3.268) 4.928 5.532 ( 1.589 0.000 -0.587) 1.694 5.586 ( -6.392 0.000 3.080) 7.095 5.877 ( 0.628 0.000 -1.691) 1.804 6.305 ( 4.763 0.000 0.163) 4.766 6.762 ( 0.187 0.000 12.605) 12.606 6.944 ( 2.755 0.000 18.064) 18.273 7.097 ( 1.484 0.000 -4.116) 4.376 7.706 ( 2.793 0.000 -0.332) 2.812 8.138 ( -2.708 0.000 9.068) 9.464 8.458 ( 15.967 0.000 9.458) 18.558 8.591 ( 4.072 0.000 5.330) 6.707 8.950 ( -9.716 0.000 -5.226) 11.032 9.490 ( 0.206 0.000 -9.739) 9.741 9.863 ( -9.050 0.000 -7.800) 11.947 10.644 ( -20.887 0.000 -3.421) 21.165 12.022 ( -2.437 0.000 7.220) 7.620 12.241 ( 1.553 0.000 -3.064) 3.435 12.399 ( -0.059 0.000 4.419) 4.420 12.765 ( 1.890 0.000 -4.380) 4.771 12.917 ( 4.672 0.000 -2.496) 5.296 13.165 ( -0.804 0.000 0.082) 0.808 13.724 ( 1.717 0.000 -0.653) 1.837 16.746 ( 14.274 0.000 -33.000) 35.955 20.009 ( -1.602 0.000 -3.631) 3.969 20.377 ( 0.839 0.000 -1.097) 1.381 20.648 ( -1.976 0.000 1.975) 2.794 20.928 ( -0.015 0.000 -0.613) 0.613 21.018 ( 0.108 0.000 0.828) 0.835 21.476 ( -5.846 0.000 3.991) 7.078 22.200 ( -1.184 0.000 27.915) 27.940 22.820 ( 3.361 0.000 -14.287) 14.678 ======================= Grid point 3 (4/170) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( 8.238 0.000 -0.866) 8.284 1.464 ( 16.324 0.000 -0.767) 16.342 1.585 ( 2.660 0.000 3.568) 4.450 1.736 ( 0.006 0.000 3.329) 3.329 1.898 ( 6.094 0.000 8.187) 10.206 2.108 ( 9.057 0.000 10.255) 13.682 2.256 ( 2.491 0.000 -0.140) 2.495 2.390 ( 6.293 0.000 8.031) 10.203 2.564 ( -0.914 0.000 2.332) 2.504 2.598 ( 4.142 0.000 -10.940) 11.697 2.746 ( 14.341 0.000 -0.474) 14.349 2.943 ( 6.916 0.000 0.422) 6.929 3.206 ( 4.282 0.000 -4.862) 6.479 3.564 ( -4.973 0.000 2.847) 5.730 3.673 ( -1.956 0.000 -2.278) 3.002 3.741 ( -7.440 0.000 2.682) 7.909 3.835 ( -4.647 0.000 -0.455) 4.669 3.986 ( -3.976 0.000 -0.589) 4.019 4.367 ( -3.216 0.000 1.151) 3.415 4.470 ( -2.345 0.000 -2.497) 3.426 4.858 ( 3.723 0.000 3.055) 4.816 5.111 ( 1.700 0.000 3.764) 4.130 5.226 ( -2.571 0.000 -2.872) 3.854 5.489 ( -3.794 0.000 -2.139) 4.355 5.526 ( -3.672 0.000 5.963) 7.004 6.006 ( 11.423 0.000 -2.252) 11.643 6.363 ( 3.050 0.000 -1.599) 3.443 6.693 ( -10.466 0.000 1.917) 10.640 7.106 ( 6.130 0.000 3.871) 7.250 7.297 ( 8.477 0.000 9.864) 13.006 7.737 ( -1.422 0.000 6.506) 6.660 8.209 ( -1.600 0.000 14.643) 14.730 8.607 ( 0.729 0.000 -8.071) 8.104 8.759 ( -2.223 0.000 -2.561) 3.392 8.881 ( 14.461 0.000 8.556) 16.802 9.409 ( 0.195 0.000 -6.164) 6.167 9.635 ( -9.506 0.000 -5.315) 10.891 10.248 ( -18.585 0.000 -6.552) 19.706 12.063 ( -0.297 0.000 6.377) 6.384 12.222 ( 0.406 0.000 -4.537) 4.555 12.436 ( 1.083 0.000 1.316) 1.704 12.764 ( 2.024 0.000 -2.903) 3.539 12.950 ( 1.590 0.000 -2.319) 2.812 13.150 ( -0.940 0.000 0.450) 1.042 13.743 ( 1.089 0.000 -0.501) 1.199 16.694 ( 5.112 0.000 -13.974) 14.880 19.956 ( -1.121 0.000 -2.385) 2.636 20.385 ( 0.741 0.000 -0.363) 0.825 20.634 ( -1.396 0.000 1.379) 1.962 20.920 ( -0.153 0.000 -0.560) 0.581 21.028 ( 0.090 0.000 0.815) 0.819 21.431 ( -2.363 0.000 1.245) 2.671 22.419 ( 1.400 0.000 19.070) 19.121 22.729 ( 0.096 0.000 -11.993) 11.993 ======================= Grid point 4 (5/170) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 0.000 0.000 0.000) 0.000 1.545 ( 0.000 0.000 0.000) 0.000 1.645 ( 0.000 0.000 0.000) 0.000 1.857 ( 0.000 0.000 0.000) 0.000 1.900 ( -0.000 0.000 0.000) 0.000 2.278 ( -0.000 0.000 -0.000) 0.000 2.287 ( 0.000 0.000 0.000) 0.000 2.472 ( 0.000 0.000 0.000) 0.000 2.516 ( 0.000 0.000 0.000) 0.000 2.596 ( 0.000 0.000 0.000) 0.000 2.865 ( 0.000 0.000 0.000) 0.000 3.081 ( 0.000 0.000 0.000) 0.000 3.173 ( 0.000 0.000 0.000) 0.000 3.593 ( -0.000 0.000 -0.000) 0.000 3.618 ( 0.000 0.000 0.000) 0.000 3.692 ( 0.000 0.000 0.000) 0.000 3.747 ( -0.000 0.000 -0.000) 0.000 3.957 ( 0.000 0.000 0.000) 0.000 4.344 ( 0.000 0.000 0.000) 0.000 4.433 ( 0.000 0.000 0.000) 0.000 4.903 ( 0.000 0.000 0.000) 0.000 5.094 ( 0.000 0.000 0.000) 0.000 5.244 ( 0.000 0.000 0.000) 0.000 5.431 ( 0.000 0.000 0.000) 0.000 5.533 ( 0.000 0.000 0.000) 0.000 6.106 ( 0.000 0.000 0.000) 0.000 6.385 ( 0.000 0.000 0.000) 0.000 6.598 ( 0.000 0.000 0.000) 0.000 7.168 ( 0.000 0.000 0.000) 0.000 7.426 ( 0.000 0.000 0.000) 0.000 7.772 ( 0.000 0.000 0.000) 0.000 8.311 ( 0.000 0.000 -0.000) 0.000 8.469 ( 0.000 0.000 0.000) 0.000 8.796 ( 0.000 0.000 0.000) 0.000 9.048 ( 0.000 0.000 0.000) 0.000 9.459 ( -0.000 0.000 -0.000) 0.000 9.466 ( 0.000 0.000 0.000) 0.000 10.013 ( 0.000 0.000 0.000) 0.000 12.101 ( 0.000 0.000 0.000) 0.000 12.194 ( 0.000 0.000 0.000) 0.000 12.452 ( 0.000 0.000 0.000) 0.000 12.772 ( 0.000 0.000 0.000) 0.000 12.946 ( 0.000 0.000 0.000) 0.000 13.145 ( 0.000 0.000 0.000) 0.000 13.750 ( 0.000 0.000 0.000) 0.000 16.673 ( 0.000 0.000 0.000) 0.000 19.934 ( 0.000 0.000 0.000) 0.000 20.390 ( 0.000 0.000 0.000) 0.000 20.628 ( 0.000 0.000 0.000) 0.000 20.916 ( 0.000 0.000 0.000) 0.000 21.033 ( 0.000 0.000 0.000) 0.000 21.417 ( 0.000 0.000 0.000) 0.000 22.573 ( 0.000 0.000 -0.000) 0.000 22.621 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/170) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.398 ( 0.000 18.195 0.000) 18.195 0.566 ( 0.000 23.954 0.000) 23.954 1.006 ( 0.000 42.448 0.000) 42.448 1.537 ( 0.000 4.419 0.000) 4.419 1.635 ( 0.000 5.499 0.000) 5.499 1.676 ( 0.000 5.853 0.000) 5.853 1.954 ( 0.000 -0.032 0.000) 0.032 1.962 ( 0.000 -0.360 0.000) 0.360 2.209 ( 0.000 -1.308 0.000) 1.308 2.513 ( 0.000 0.742 0.000) 0.742 2.639 ( 0.000 11.071 0.000) 11.071 3.022 ( 0.000 -1.947 0.000) 1.947 3.538 ( 0.000 -0.688 0.000) 0.688 3.626 ( 0.000 0.682 0.000) 0.682 3.768 ( 0.000 2.316 0.000) 2.316 3.953 ( 0.000 3.421 0.000) 3.421 3.977 ( 0.000 -2.711 0.000) 2.711 4.398 ( 0.000 1.300 0.000) 1.300 4.491 ( 0.000 2.045 0.000) 2.045 4.519 ( 0.000 6.986 0.000) 6.986 4.911 ( 0.000 10.303 0.000) 10.303 4.954 ( 0.000 14.866 0.000) 14.866 5.442 ( 0.000 -1.910 0.000) 1.910 5.463 ( 0.000 2.034 0.000) 2.034 5.612 ( 0.000 -2.590 0.000) 2.590 6.137 ( 0.000 -7.798 0.000) 7.798 6.213 ( 0.000 0.612 0.000) 0.612 6.531 ( 0.000 -5.851 0.000) 5.851 6.802 ( 0.000 6.656 0.000) 6.656 7.168 ( 0.000 -5.237 0.000) 5.237 7.770 ( 0.000 -2.339 0.000) 2.339 7.772 ( 0.000 -6.440 0.000) 6.440 8.195 ( 0.000 -1.885 0.000) 1.885 8.237 ( 0.000 -7.930 0.000) 7.930 8.702 ( 0.000 14.143 0.000) 14.143 9.757 ( 0.000 1.062 0.000) 1.062 9.842 ( 0.000 -4.713 0.000) 4.713 10.978 ( 0.000 -8.810 0.000) 8.810 11.968 ( 0.000 1.044 0.000) 1.044 12.213 ( 0.000 -0.072 0.000) 0.072 12.245 ( 0.000 4.904 0.000) 4.904 12.776 ( 0.000 9.153 0.000) 9.153 12.786 ( 0.000 3.214 0.000) 3.214 13.140 ( 0.000 -2.458 0.000) 2.458 14.947 ( 0.000 -0.676 0.000) 0.676 16.032 ( 0.000 -4.189 0.000) 4.189 20.132 ( 0.000 -0.007 0.000) 0.007 20.338 ( 0.000 -1.062 0.000) 1.062 20.673 ( 0.000 0.082 0.000) 0.082 20.870 ( 0.000 -7.319 0.000) 7.319 21.189 ( 0.000 5.650 0.000) 5.650 21.636 ( 0.000 -1.873 0.000) 1.873 22.284 ( 0.000 3.583 0.000) 3.583 22.637 ( 0.000 0.027 0.000) 0.027 ======================= Grid point 10 (7/170) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( 13.194 13.635 7.074) 20.250 0.729 ( 14.990 15.576 9.395) 23.571 1.129 ( 14.455 26.475 3.387) 30.353 1.576 ( 0.524 3.538 4.349) 5.631 1.712 ( 8.977 5.361 -2.207) 10.687 1.799 ( 7.361 6.213 6.333) 11.528 1.964 ( 2.746 2.235 3.735) 5.147 2.059 ( 7.354 -1.052 3.010) 8.015 2.289 ( 8.654 1.922 1.389) 8.973 2.539 ( 2.828 0.812 0.085) 2.944 2.627 ( -2.130 8.860 2.410) 9.425 2.997 ( 0.421 3.211 -5.182) 6.110 3.303 ( -8.138 14.941 -5.095) 17.760 3.675 ( -1.027 3.056 4.061) 5.185 3.706 ( -2.026 0.246 3.379) 3.948 3.903 ( -1.345 -0.914 -4.613) 4.892 4.050 ( 1.739 -0.578 -0.926) 2.053 4.297 ( -8.619 2.635 -4.229) 9.955 4.459 ( -0.872 1.421 -1.393) 2.173 4.598 ( 3.446 5.028 3.365) 6.963 4.848 ( -6.946 14.356 5.713) 16.940 5.076 ( 10.962 11.189 -5.502) 16.602 5.261 ( -3.170 -4.345 -3.820) 6.597 5.456 ( -0.850 0.755 -5.115) 5.239 5.624 ( 0.787 -1.885 0.147) 2.048 6.175 ( -0.014 3.723 4.642) 5.950 6.295 ( -2.997 4.166 2.614) 5.760 6.620 ( -1.990 -0.056 13.439) 13.586 6.675 ( -5.364 1.278 20.894) 21.609 7.202 ( -1.403 -3.998 -4.952) 6.517 7.604 ( 2.736 -4.830 -11.530) 12.797 7.918 ( 10.576 -8.971 6.597) 15.357 8.043 ( -1.601 -6.933 0.567) 7.138 8.645 ( 6.385 2.972 6.732) 9.743 8.944 ( 14.368 -4.999 8.175) 17.270 9.575 ( -11.773 0.964 -1.725) 11.938 9.882 ( -2.163 -9.421 0.940) 9.711 10.860 ( -12.063 -8.835 -2.831) 15.218 11.921 ( -1.521 -2.115 -1.299) 2.911 12.202 ( 0.838 -0.521 -0.818) 1.282 12.366 ( 2.239 2.378 7.522) 8.201 12.767 ( 3.157 4.002 -2.378) 5.624 12.877 ( 9.654 4.774 -6.316) 12.485 13.149 ( 1.181 -1.852 -0.137) 2.201 14.372 ( -31.215 28.654 -3.122) 42.487 16.386 ( 31.184 -23.259 -28.757) 48.377 20.087 ( -1.902 0.877 -3.711) 4.261 20.347 ( 0.846 -1.859 -0.842) 2.209 20.654 ( -2.061 -0.315 1.632) 2.648 20.900 ( 2.489 -5.045 -0.910) 5.699 21.172 ( 1.704 8.736 -5.692) 10.565 21.585 ( -6.813 0.408 2.069) 7.132 22.155 ( -15.088 12.707 27.210) 33.608 22.743 ( 9.548 -7.603 -11.447) 16.733 ======================= Grid point 11 (8/170) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 15.539 9.856 3.630) 18.756 1.115 ( 16.223 3.899 7.337) 18.227 1.464 ( 13.941 1.592 10.003) 17.232 1.640 ( 1.990 4.776 3.762) 6.397 1.808 ( 6.254 7.079 -2.206) 9.700 1.947 ( 5.775 2.378 6.272) 8.851 2.150 ( 6.801 3.793 2.736) 8.254 2.213 ( 8.350 -1.268 6.163) 10.455 2.521 ( 14.918 9.029 1.857) 17.536 2.601 ( 1.951 4.324 4.119) 6.283 2.640 ( 3.750 1.698 -1.907) 4.537 2.989 ( 5.159 6.313 -5.425) 9.793 3.248 ( 3.268 12.082 -3.212) 12.922 3.634 ( -5.996 -0.591 1.273) 6.158 3.728 ( -1.319 -0.901 1.641) 2.290 3.833 ( -5.038 1.750 4.198) 6.788 3.967 ( -7.409 3.516 -6.781) 10.641 4.145 ( -2.943 3.846 -2.388) 5.400 4.439 ( -0.447 2.672 -0.976) 2.880 4.643 ( -2.625 6.120 0.670) 6.693 4.826 ( -0.680 10.698 8.011) 13.382 5.152 ( 3.283 10.564 -1.086) 11.115 5.300 ( 1.934 -8.529 -0.428) 8.756 5.387 ( -1.022 3.112 -2.132) 3.908 5.637 ( 3.876 -2.437 -2.525) 5.228 6.067 ( -9.760 16.310 2.579) 19.181 6.353 ( 5.355 3.182 1.760) 6.473 6.732 ( -1.064 -2.336 11.035) 11.330 6.901 ( 4.582 -3.692 16.367) 17.392 7.116 ( 1.824 1.192 -1.935) 2.914 7.645 ( 4.495 -6.838 1.529) 8.325 7.981 ( -4.393 -10.613 3.976) 12.155 8.222 ( 11.914 -13.558 6.937) 19.336 8.818 ( 8.480 10.147 6.512) 14.741 9.021 ( -6.807 7.003 0.393) 9.774 9.411 ( -4.280 -7.134 -4.504) 9.460 9.794 ( -6.071 -7.147 -2.541) 9.715 10.546 ( -18.819 -7.710 -6.149) 21.247 11.919 ( 0.413 -5.924 2.775) 6.555 12.201 ( 0.808 -1.440 -3.376) 3.758 12.423 ( -0.388 1.873 3.040) 3.591 12.815 ( 5.318 5.425 -4.136) 8.650 12.961 ( 5.688 1.785 -4.674) 7.575 13.173 ( 1.569 0.953 -0.380) 1.874 14.019 ( -10.893 22.138 -1.289) 24.706 16.507 ( 12.748 -19.209 -20.887) 31.109 20.020 ( -1.674 0.807 -3.884) 4.306 20.349 ( 0.543 -2.331 -0.911) 2.560 20.641 ( -1.742 -0.404 2.371) 2.970 20.920 ( 1.166 -2.091 -1.361) 2.754 21.156 ( 1.726 10.301 -4.072) 11.210 21.493 ( -6.162 1.468 3.404) 7.191 22.260 ( -2.432 5.570 22.604) 23.407 22.745 ( 2.641 -5.929 -9.127) 11.199 ======================= Grid point 12 (9/170) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 8.023 8.751 0.892) 11.906 1.370 ( 8.349 -5.049 2.580) 10.092 1.651 ( -1.974 -5.020 3.138) 6.241 1.731 ( 9.528 6.594 3.756) 12.181 1.963 ( 6.878 6.270 1.943) 9.507 2.091 ( 3.373 -1.879 5.173) 6.455 2.226 ( 4.980 0.993 2.484) 5.653 2.411 ( 4.748 -0.943 5.968) 7.684 2.620 ( -0.106 5.744 0.699) 5.787 2.657 ( 3.691 4.191 -5.818) 8.065 2.832 ( 13.381 7.105 0.743) 15.169 3.069 ( 7.707 5.447 -2.964) 9.892 3.297 ( 4.129 12.961 -2.405) 13.814 3.534 ( -3.686 -3.953 0.203) 5.408 3.668 ( -5.663 2.165 0.139) 6.065 3.764 ( -6.352 1.657 1.293) 6.690 3.845 ( -3.721 4.865 2.868) 6.763 4.101 ( -0.687 7.267 -2.107) 7.597 4.424 ( -0.153 5.283 -0.589) 5.318 4.553 ( -5.796 6.667 -1.068) 8.898 4.922 ( 3.479 5.406 3.959) 7.550 5.151 ( -4.379 1.583 -2.774) 5.420 5.261 ( 1.927 1.916 0.388) 2.745 5.385 ( -2.529 1.029 1.430) 3.081 5.732 ( 4.535 9.174 2.918) 10.642 6.021 ( 2.790 5.958 0.117) 6.580 6.429 ( 3.348 4.738 -0.626) 5.835 6.664 ( -8.844 -1.859 -0.534) 9.053 7.076 ( 4.426 -2.869 5.646) 7.726 7.298 ( 8.763 -0.204 8.094) 11.930 7.738 ( 1.174 -2.517 8.288) 8.741 7.982 ( -1.263 -14.501 8.007) 16.613 8.383 ( 2.323 -14.850 -2.734) 15.277 8.900 ( -1.855 7.600 -0.947) 7.880 9.038 ( 6.130 10.120 5.441) 13.023 9.330 ( 1.311 -6.044 -1.146) 6.290 9.668 ( -4.759 -0.342 -3.141) 5.712 10.143 ( -19.456 -7.936 -8.259) 22.577 11.980 ( 2.142 -6.778 5.233) 8.827 12.160 ( -0.979 -2.650 -5.216) 5.932 12.431 ( -0.272 0.268 0.626) 0.733 12.865 ( 4.426 7.765 -3.382) 9.556 12.986 ( 1.042 -0.154 -1.988) 2.250 13.189 ( 0.828 4.369 -0.467) 4.471 13.900 ( -3.388 14.684 -0.477) 15.077 16.503 ( 4.453 -16.536 -10.119) 19.891 19.966 ( -1.050 0.871 -2.449) 2.804 20.352 ( 0.489 -2.877 -0.402) 2.946 20.635 ( -1.111 0.030 1.565) 1.920 20.921 ( 0.348 -0.594 -0.869) 1.108 21.154 ( 1.041 10.362 -1.845) 10.576 21.439 ( -3.002 0.801 1.824) 3.603 22.429 ( 0.797 1.245 16.167) 16.234 22.683 ( -0.109 -3.823 -8.730) 9.531 ======================= Grid point 13 (10/170) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( 0.000 8.474 0.000) 8.474 1.449 ( 0.000 -5.283 0.000) 5.283 1.646 ( -0.000 -3.674 -0.000) 3.674 1.864 ( 0.000 -0.406 0.000) 0.406 1.985 ( -0.000 9.121 -0.000) 9.121 2.145 ( 0.000 -5.589 0.000) 5.589 2.361 ( -0.000 5.887 0.000) 5.887 2.431 ( 0.000 -4.681 0.000) 4.681 2.615 ( -0.000 5.565 -0.000) 5.565 2.670 ( 0.000 5.675 0.000) 5.675 2.937 ( 0.000 5.772 0.000) 5.772 3.162 ( -0.000 -1.049 -0.000) 1.049 3.296 ( -0.000 18.283 -0.000) 18.283 3.529 ( 0.000 -7.642 0.000) 7.642 3.621 ( -0.000 3.509 -0.000) 3.509 3.711 ( 0.000 4.945 0.000) 4.945 3.816 ( -0.000 6.305 -0.000) 6.305 4.082 ( 0.000 8.447 0.000) 8.447 4.430 ( 0.000 8.018 0.000) 8.018 4.479 ( -0.000 3.527 -0.000) 3.527 4.988 ( 0.000 6.476 -0.000) 6.476 5.067 ( 0.000 -1.398 0.000) 1.398 5.316 ( 0.000 5.073 0.000) 5.073 5.343 ( -0.000 -2.214 -0.000) 2.214 5.784 ( 0.000 19.089 0.000) 19.089 6.074 ( 0.000 -2.691 0.000) 2.691 6.465 ( 0.000 7.625 0.000) 7.625 6.558 ( -0.000 -3.743 -0.000) 3.743 7.130 ( 0.000 -3.433 -0.000) 3.433 7.422 ( 0.000 -0.443 0.000) 0.443 7.805 ( 0.000 -0.981 -0.000) 0.981 8.042 ( 0.000 -15.054 0.000) 15.054 8.325 ( 0.000 -12.361 -0.000) 12.361 8.970 ( -0.000 10.365 -0.000) 10.365 8.998 ( 0.000 -4.544 0.000) 4.544 9.494 ( 0.000 2.401 -0.000) 2.401 9.572 ( -0.000 8.105 -0.000) 8.105 9.860 ( 0.000 -13.638 0.000) 13.638 12.064 ( -0.000 -9.016 -0.000) 9.016 12.087 ( 0.000 -1.039 0.000) 1.039 12.431 ( 0.000 -0.396 -0.000) 0.396 12.892 ( 0.000 8.593 0.000) 8.593 12.979 ( 0.000 -0.500 0.000) 0.500 13.194 ( 0.000 5.452 0.000) 5.452 13.872 ( 0.000 12.227 0.000) 12.227 16.493 ( 0.000 -15.832 -0.000) 15.832 19.945 ( 0.000 0.933 0.000) 0.933 20.355 ( 0.000 -3.136 0.000) 3.136 20.633 ( 0.000 0.262 -0.000) 0.262 20.919 ( 0.000 -0.157 0.000) 0.157 21.155 ( -0.000 10.327 0.000) 10.327 21.422 ( 0.000 0.479 0.000) 0.479 22.552 ( 0.000 -1.576 0.000) 1.576 22.601 ( 0.000 -1.556 0.000) 1.556 ======================= Grid point 18 (11/170) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( 0.000 13.474 0.000) 13.474 0.964 ( 0.000 14.840 0.000) 14.840 1.372 ( 0.000 -1.371 0.000) 1.371 1.677 ( 0.000 5.510 0.000) 5.510 1.848 ( 0.000 -0.303 0.000) 0.303 1.866 ( 0.000 10.574 0.000) 10.574 1.994 ( 0.000 4.552 0.000) 4.552 2.114 ( 0.000 21.681 0.000) 21.681 2.245 ( 0.000 10.208 0.000) 10.208 2.497 ( 0.000 -0.941 0.000) 0.941 2.882 ( 0.000 10.388 0.000) 10.388 2.968 ( 0.000 -2.959 0.000) 2.959 3.536 ( 0.000 0.702 0.000) 0.702 3.632 ( 0.000 -0.042 0.000) 0.042 3.836 ( 0.000 3.608 0.000) 3.608 3.953 ( 0.000 0.973 0.000) 0.973 4.055 ( 0.000 6.951 0.000) 6.951 4.390 ( 0.000 -2.123 0.000) 2.123 4.542 ( 0.000 2.515 0.000) 2.515 4.688 ( 0.000 7.505 0.000) 7.505 5.182 ( 0.000 14.727 0.000) 14.727 5.307 ( 0.000 11.579 0.000) 11.579 5.415 ( 0.000 5.327 0.000) 5.327 5.484 ( 0.000 -0.193 0.000) 0.193 5.602 ( 0.000 2.757 0.000) 2.757 5.976 ( 0.000 -6.207 0.000) 6.207 6.231 ( 0.000 0.809 0.000) 0.809 6.387 ( 0.000 -7.634 0.000) 7.634 6.935 ( 0.000 4.980 0.000) 4.980 7.004 ( 0.000 -9.651 0.000) 9.651 7.655 ( 0.000 -4.703 0.000) 4.703 7.719 ( 0.000 -2.074 0.000) 2.074 8.039 ( 0.000 -10.197 0.000) 10.197 8.160 ( 0.000 -2.163 0.000) 2.163 8.981 ( 0.000 11.703 0.000) 11.703 9.689 ( 0.000 -10.105 0.000) 10.105 9.813 ( 0.000 5.002 0.000) 5.002 10.738 ( 0.000 -13.361 0.000) 13.361 12.037 ( 0.000 5.574 0.000) 5.574 12.265 ( 0.000 5.039 0.000) 5.039 12.339 ( 0.000 3.379 0.000) 3.379 12.840 ( 0.000 0.002 0.000) 0.002 12.952 ( 0.000 7.387 0.000) 7.387 13.100 ( 0.000 -0.122 0.000) 0.122 14.965 ( 0.000 3.448 0.000) 3.448 15.902 ( 0.000 -8.565 0.000) 8.565 20.135 ( 0.000 0.399 0.000) 0.399 20.304 ( 0.000 -2.242 0.000) 2.242 20.672 ( 0.000 -0.216 0.000) 0.216 20.738 ( 0.000 -5.135 0.000) 5.135 21.285 ( 0.000 3.728 0.000) 3.728 21.580 ( 0.000 -3.535 0.000) 3.535 22.382 ( 0.000 5.559 0.000) 5.559 22.636 ( 0.000 -0.170 0.000) 0.170 ======================= Grid point 19 (12/170) ======================= q-point: ( 0.12 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 8.347 8.528 7.154) 13.913 1.039 ( 9.512 12.225 1.392) 15.552 1.409 ( 1.284 1.909 3.892) 4.521 1.723 ( 2.610 5.187 -0.792) 5.861 1.836 ( -0.876 1.739 4.407) 4.818 1.913 ( 5.234 8.302 -0.874) 9.853 2.018 ( 5.017 2.763 2.807) 6.378 2.207 ( 6.270 11.332 0.345) 12.955 2.397 ( 13.890 12.717 3.613) 19.176 2.529 ( 3.652 0.451 0.714) 3.748 2.833 ( -4.236 8.210 1.410) 9.345 3.004 ( 4.423 0.047 -4.091) 6.025 3.505 ( -2.431 6.007 2.559) 6.968 3.690 ( 2.524 0.289 2.793) 3.776 3.768 ( -5.300 3.326 -1.163) 6.364 3.915 ( -1.474 3.206 -1.721) 3.926 4.101 ( 1.947 4.232 0.654) 4.704 4.347 ( -4.331 1.113 -3.099) 5.441 4.522 ( -1.349 3.966 -0.765) 4.259 4.695 ( 3.890 3.811 -2.641) 6.052 5.137 ( -8.748 3.306 -1.405) 9.457 5.195 ( -1.694 11.303 -0.250) 11.432 5.381 ( 0.901 11.901 -1.718) 12.058 5.522 ( 3.116 6.132 -4.951) 8.475 5.612 ( 1.928 2.853 -1.433) 3.729 6.150 ( 7.008 -4.649 10.084) 13.131 6.328 ( 4.115 0.711 11.330) 12.075 6.510 ( 6.825 -6.790 10.541) 14.276 6.831 ( -10.581 7.758 5.879) 14.378 7.070 ( 3.902 -8.326 0.730) 9.224 7.512 ( -5.975 -2.771 -9.921) 11.908 7.773 ( 3.350 -5.827 8.193) 10.597 7.919 ( -1.430 -4.787 -4.506) 6.728 8.484 ( 13.455 -12.512 13.594) 22.855 9.070 ( 7.548 8.835 3.542) 12.148 9.596 ( -10.420 -1.293 -2.960) 10.909 9.726 ( -8.950 -3.042 2.746) 9.844 10.637 ( -9.228 -12.359 -4.144) 15.971 11.974 ( -2.283 6.190 -6.211) 9.062 12.241 ( -0.401 4.476 -1.291) 4.676 12.410 ( 3.058 0.989 2.467) 4.051 12.869 ( 2.210 1.449 2.122) 3.390 12.946 ( 3.144 2.999 -7.247) 8.450 13.144 ( 4.621 2.212 -0.123) 5.125 14.754 ( -16.675 13.411 -3.958) 21.762 16.009 ( 11.738 -15.360 -6.877) 20.519 20.101 ( -1.609 0.773 -3.299) 3.752 20.302 ( 0.317 -2.645 -1.346) 2.984 20.647 ( -2.443 -0.367 1.989) 3.172 20.791 ( 4.365 -4.949 -0.526) 6.620 21.294 ( 2.570 4.118 -2.795) 5.602 21.565 ( -2.141 -2.201 0.529) 3.116 22.368 ( -5.083 8.166 9.041) 13.201 22.644 ( 0.532 -2.434 -0.324) 2.513 ======================= Grid point 20 (13/170) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 10.307 2.807 5.540) 12.033 1.264 ( 10.624 8.119 2.702) 13.641 1.490 ( 3.873 2.393 4.557) 6.441 1.730 ( -0.122 4.467 3.279) 5.543 1.919 ( 4.671 -3.831 2.467) 6.526 2.008 ( 6.798 6.912 -1.082) 9.754 2.198 ( 9.619 2.385 6.482) 11.842 2.287 ( 1.253 8.028 0.274) 8.130 2.604 ( 8.226 -2.158 -0.202) 8.506 2.699 ( 12.370 6.909 -0.405) 14.175 2.814 ( 0.539 10.888 3.552) 11.465 3.039 ( 5.914 1.618 -4.840) 7.812 3.510 ( -1.477 7.534 2.284) 8.010 3.666 ( -1.183 6.795 -3.989) 7.968 3.748 ( 0.249 3.393 3.119) 4.616 3.900 ( -4.265 3.368 6.312) 8.330 4.053 ( -4.423 4.658 -5.160) 8.240 4.250 ( -1.387 5.536 -2.577) 6.262 4.517 ( 1.121 3.962 -0.589) 4.159 4.748 ( 2.680 4.134 -1.458) 5.137 5.021 ( -2.110 1.284 -1.944) 3.143 5.192 ( -1.342 7.439 2.272) 7.893 5.359 ( -2.903 7.697 0.867) 8.272 5.559 ( -3.002 8.165 -1.391) 8.810 5.623 ( 10.853 5.211 -3.715) 12.599 6.318 ( 1.354 -0.631 8.951) 9.075 6.435 ( -1.749 10.268 4.584) 11.380 6.694 ( 3.085 -1.890 5.761) 6.803 6.843 ( 2.333 0.202 14.294) 14.484 7.123 ( 2.636 -0.736 2.174) 3.496 7.435 ( 0.969 -11.051 2.432) 11.357 7.829 ( -0.429 -4.035 -1.366) 4.281 7.987 ( 6.238 -9.284 7.873) 13.678 8.781 ( 11.001 -12.155 7.189) 17.901 9.227 ( 2.318 -0.416 3.454) 4.180 9.324 ( -14.794 10.747 0.250) 18.287 9.607 ( -6.014 -9.593 -0.112) 11.323 10.373 ( -14.977 -9.214 -6.874) 18.880 11.898 ( 0.101 4.011 -4.778) 6.239 12.215 ( -1.382 2.836 -2.245) 3.872 12.451 ( 0.336 0.606 0.831) 1.082 12.921 ( 1.353 -5.418 -2.219) 6.009 12.951 ( 5.579 6.682 -3.939) 9.554 13.226 ( 5.290 3.308 -1.646) 6.453 14.465 ( -11.821 20.974 -3.548) 24.336 16.099 ( 6.664 -19.429 -7.785) 21.966 20.039 ( -1.482 1.179 -3.809) 4.254 20.290 ( 0.068 -3.372 -1.681) 3.769 20.636 ( -1.590 -0.077 2.644) 3.086 20.849 ( 3.157 -4.442 -1.098) 5.559 21.317 ( 4.121 5.151 -4.852) 8.189 21.519 ( -4.204 0.542 1.830) 4.617 22.401 ( -2.821 7.246 12.427) 14.659 22.638 ( -0.646 -3.617 -0.700) 3.740 ======================= Grid point 21 (14/170) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 5.773 -1.407 4.772) 7.621 1.417 ( 4.558 9.927 1.056) 10.975 1.542 ( 2.278 -3.734 -1.698) 4.692 1.808 ( 1.241 0.757 4.518) 4.746 2.062 ( 8.602 -0.858 4.223) 9.621 2.108 ( 6.726 4.164 -2.193) 8.209 2.269 ( -2.711 3.682 1.907) 4.954 2.407 ( 6.344 1.931 5.590) 8.673 2.707 ( 3.075 0.385 0.418) 3.127 2.757 ( 0.175 5.463 -3.691) 6.595 2.956 ( 10.573 3.468 0.420) 11.135 3.116 ( 4.719 1.975 -3.456) 6.174 3.458 ( -3.487 -0.237 -0.748) 3.574 3.652 ( -0.896 11.571 -3.518) 12.127 3.776 ( 0.087 10.530 3.210) 11.009 3.851 ( -1.319 6.898 3.128) 7.688 3.992 ( -2.754 8.550 2.857) 9.426 4.232 ( 1.232 5.379 -2.455) 6.040 4.531 ( 0.976 3.647 -0.203) 3.780 4.722 ( -3.567 10.086 -2.157) 10.913 5.015 ( 1.892 1.408 0.015) 2.358 5.168 ( -1.943 3.617 -2.541) 4.828 5.330 ( -1.002 5.638 3.171) 6.545 5.468 ( -4.379 3.623 -1.744) 5.945 5.853 ( 14.087 5.131 2.147) 15.145 6.320 ( -6.158 15.967 3.618) 17.491 6.451 ( -0.387 -0.300 3.420) 3.455 6.706 ( -1.195 5.919 -4.571) 7.573 6.983 ( 1.652 -6.306 5.794) 8.722 7.285 ( 8.067 -0.846 7.983) 11.381 7.507 ( -1.936 -13.412 11.547) 17.803 7.874 ( 9.498 -1.109 -3.801) 10.291 8.112 ( -1.759 -9.889 7.114) 12.308 8.951 ( -1.867 -4.480 -2.654) 5.532 9.072 ( 0.151 -8.518 0.257) 8.523 9.332 ( -1.204 7.111 9.795) 12.164 9.548 ( 0.197 -7.559 -1.560) 7.721 10.031 ( -15.903 -3.239 -8.310) 18.233 11.899 ( 2.760 0.259 -0.774) 2.878 12.148 ( -3.284 1.228 -3.196) 4.745 12.453 ( -0.176 1.593 -0.027) 1.602 12.912 ( 0.723 -5.616 -2.402) 6.151 13.012 ( 3.632 5.432 -1.573) 6.721 13.282 ( 2.881 3.148 -1.572) 4.548 14.296 ( -5.327 22.832 -1.751) 23.510 16.113 ( 2.325 -20.103 -4.605) 20.755 19.989 ( -0.853 1.472 -2.420) 2.958 20.279 ( 0.082 -4.106 -0.949) 4.215 20.636 ( -0.843 0.166 1.735) 1.936 20.879 ( 1.458 -3.613 -0.821) 3.982 21.345 ( 4.286 6.615 -4.955) 9.310 21.465 ( -4.500 1.663 3.021) 5.670 22.478 ( -0.535 3.466 9.704) 10.319 22.611 ( -1.003 -2.435 -1.994) 3.303 ======================= Grid point 22 (15/170) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( -0.000 -3.990 0.000) 3.990 1.400 ( 0.000 6.809 -0.000) 6.809 1.595 ( 0.000 0.647 -0.000) 0.647 1.824 ( -0.000 -2.492 0.000) 2.492 2.137 ( -0.000 3.377 0.000) 3.377 2.183 ( 0.000 8.186 -0.000) 8.186 2.303 ( 0.000 -6.820 0.000) 6.820 2.456 ( -0.000 1.705 0.000) 1.705 2.714 ( -0.000 4.233 -0.000) 4.233 2.764 ( 0.000 3.131 0.000) 3.131 3.056 ( 0.000 4.612 0.000) 4.612 3.133 ( -0.000 -1.712 0.000) 1.712 3.425 ( 0.000 -1.184 0.000) 1.184 3.581 ( 0.000 6.620 0.000) 6.620 3.840 ( -0.000 17.192 -0.000) 17.192 3.864 ( 0.000 9.274 0.000) 9.274 3.975 ( -0.000 8.964 -0.000) 8.964 4.232 ( 0.000 5.534 0.000) 5.534 4.548 ( -0.000 3.113 -0.000) 3.113 4.653 ( -0.000 13.233 0.000) 13.233 5.053 ( 0.000 -0.138 -0.000) 0.138 5.113 ( 0.000 6.082 0.000) 6.082 5.373 ( 0.000 4.189 0.000) 4.189 5.393 ( -0.000 1.924 -0.000) 1.924 6.029 ( -0.000 -0.894 0.000) 0.894 6.251 ( 0.000 22.870 0.000) 22.870 6.464 ( 0.000 -3.360 0.000) 3.360 6.661 ( -0.000 9.913 -0.000) 9.913 7.014 ( -0.000 -8.776 -0.000) 8.776 7.408 ( 0.000 -0.922 0.000) 0.922 7.551 ( 0.000 -13.001 0.000) 13.001 8.034 ( 0.000 -14.889 -0.000) 14.889 8.043 ( -0.000 7.354 0.000) 7.354 8.866 ( -0.000 -8.431 -0.000) 8.431 9.111 ( 0.000 2.450 0.000) 2.450 9.429 ( -0.000 -20.555 -0.000) 20.555 9.556 ( 0.000 4.028 0.000) 4.028 9.786 ( 0.000 5.714 0.000) 5.714 11.939 ( -0.000 -2.160 0.000) 2.160 12.085 ( 0.000 1.244 0.000) 1.244 12.451 ( 0.000 1.992 -0.000) 1.992 12.906 ( 0.000 -5.613 -0.000) 5.613 13.037 ( 0.000 5.111 0.000) 5.111 13.299 ( 0.000 2.999 -0.000) 2.999 14.244 ( 0.000 23.104 0.000) 23.104 16.110 ( 0.000 -20.136 -0.000) 20.136 19.970 ( 0.000 1.592 0.000) 1.592 20.276 ( 0.000 -4.431 0.000) 4.431 20.637 ( 0.000 0.272 -0.000) 0.272 20.887 ( 0.000 -3.260 0.000) 3.260 21.364 ( -0.000 8.258 0.000) 8.258 21.435 ( 0.000 0.781 -0.000) 0.781 22.534 ( 0.000 0.248 0.000) 0.248 22.580 ( 0.000 -0.157 -0.000) 0.157 ======================= Grid point 27 (16/170) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( 0.000 11.498 0.000) 11.498 1.192 ( 0.000 8.671 0.000) 8.671 1.291 ( 0.000 -5.181 0.000) 5.181 1.591 ( 0.000 -10.051 0.000) 10.051 1.918 ( 0.000 5.864 0.000) 5.864 2.008 ( 0.000 3.385 0.000) 3.385 2.138 ( 0.000 6.872 0.000) 6.872 2.233 ( 0.000 1.187 0.000) 1.187 2.513 ( 0.000 3.282 0.000) 3.282 2.642 ( 0.000 8.936 0.000) 8.936 2.961 ( 0.000 5.223 0.000) 5.223 3.036 ( 0.000 4.702 0.000) 4.702 3.567 ( 0.000 2.145 0.000) 2.145 3.629 ( 0.000 -0.245 0.000) 0.245 3.919 ( 0.000 5.357 0.000) 5.357 4.019 ( 0.000 4.729 0.000) 4.729 4.212 ( 0.000 6.550 0.000) 6.550 4.315 ( 0.000 -4.903 0.000) 4.903 4.578 ( 0.000 1.446 0.000) 1.446 4.761 ( 0.000 -1.081 0.000) 1.081 5.314 ( 0.000 -0.660 0.000) 0.660 5.354 ( 0.000 0.383 0.000) 0.383 5.589 ( 0.000 10.250 0.000) 10.250 5.674 ( 0.000 7.615 0.000) 7.615 5.704 ( 0.000 7.529 0.000) 7.529 5.937 ( 0.000 2.008 0.000) 2.008 6.229 ( 0.000 -1.124 0.000) 1.124 6.245 ( 0.000 -5.348 0.000) 5.348 6.846 ( 0.000 -3.909 0.000) 3.909 6.966 ( 0.000 -2.114 0.000) 2.114 7.581 ( 0.000 -2.276 0.000) 2.276 7.673 ( 0.000 -4.002 0.000) 4.002 7.899 ( 0.000 -0.990 0.000) 0.990 8.090 ( 0.000 -4.739 0.000) 4.739 9.157 ( 0.000 6.007 0.000) 6.007 9.460 ( 0.000 -11.097 0.000) 11.097 9.975 ( 0.000 10.531 0.000) 10.531 10.469 ( 0.000 -12.703 0.000) 12.703 12.172 ( 0.000 7.018 0.000) 7.018 12.366 ( 0.000 -0.922 0.000) 0.922 12.405 ( 0.000 8.165 0.000) 8.165 12.753 ( 0.000 -7.325 0.000) 7.325 13.070 ( 0.000 4.216 0.000) 4.216 13.131 ( 0.000 1.511 0.000) 1.511 15.115 ( 0.000 11.172 0.000) 11.172 15.682 ( 0.000 -12.849 0.000) 12.849 20.152 ( 0.000 1.337 0.000) 1.337 20.249 ( 0.000 -2.985 0.000) 2.985 20.664 ( 0.000 -0.598 0.000) 0.598 20.667 ( 0.000 -1.861 0.000) 1.861 21.351 ( 0.000 3.022 0.000) 3.022 21.499 ( 0.000 -4.197 0.000) 4.197 22.495 ( 0.000 5.123 0.000) 5.123 22.624 ( 0.000 -1.194 0.000) 1.194 ======================= Grid point 28 (17/170) ======================= q-point: ( 0.12 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 5.274 9.119 0.806) 10.565 1.216 ( 6.025 4.746 -3.224) 8.320 1.382 ( 7.609 -1.704 2.330) 8.139 1.636 ( 3.165 -9.393 2.927) 10.335 1.963 ( 0.461 7.652 4.410) 8.843 2.024 ( 0.618 4.364 1.175) 4.562 2.151 ( 2.862 6.108 1.699) 6.956 2.303 ( 7.815 0.723 0.847) 7.894 2.508 ( -0.370 2.626 -0.134) 2.656 2.678 ( 2.923 2.180 -0.193) 3.651 2.977 ( 1.158 7.926 2.057) 8.270 3.045 ( 2.608 3.086 -3.139) 5.116 3.603 ( 1.225 4.165 5.654) 7.129 3.703 ( 4.460 0.357 4.417) 6.288 3.845 ( -4.347 5.146 -3.408) 7.549 4.008 ( -1.149 4.172 -0.919) 4.424 4.169 ( -1.426 1.999 -3.106) 3.959 4.348 ( 1.169 -0.804 -0.100) 1.423 4.589 ( 1.139 2.848 -0.030) 3.068 4.727 ( 0.448 -1.006 -4.512) 4.644 5.172 ( -7.033 4.112 -3.606) 8.909 5.366 ( 1.142 0.015 -2.386) 2.645 5.595 ( 0.186 10.339 -2.803) 10.714 5.665 ( 4.563 8.723 -4.452) 10.804 5.790 ( 0.358 8.788 4.415) 9.841 6.054 ( 4.312 -4.038 10.941) 12.434 6.317 ( 7.060 -1.305 9.842) 12.183 6.402 ( 7.366 -3.242 13.652) 15.848 6.885 ( 1.573 -3.081 4.354) 5.561 6.938 ( -0.938 -2.891 -0.887) 3.166 7.507 ( -7.092 2.005 -4.505) 8.638 7.676 ( 0.795 -3.977 7.556) 8.576 7.868 ( -0.691 0.985 -3.584) 3.781 8.225 ( 7.546 -12.432 8.200) 16.696 9.189 ( 1.663 3.561 2.221) 4.514 9.436 ( -1.115 -9.830 -3.023) 10.344 9.864 ( -12.825 11.947 2.218) 17.668 10.382 ( -8.518 -12.410 -2.255) 15.220 12.131 ( -1.883 8.422 -4.572) 9.766 12.367 ( -3.474 4.520 -0.514) 5.724 12.402 ( 4.100 1.077 -1.325) 4.442 12.763 ( 1.606 -8.543 -1.888) 8.896 13.057 ( 1.403 5.592 -2.518) 6.291 13.185 ( 4.699 0.425 -0.405) 4.736 15.035 ( -6.346 15.169 -3.063) 16.726 15.702 ( 2.622 -15.414 -1.999) 15.763 20.125 ( -1.123 1.734 -2.985) 3.631 20.240 ( 0.076 -3.364 -2.249) 4.047 20.644 ( -1.608 0.229 2.020) 2.592 20.709 ( 2.741 -3.054 0.243) 4.110 21.364 ( 2.245 3.026 -1.575) 4.084 21.503 ( 0.320 -3.618 -0.043) 3.632 22.502 ( -1.593 5.127 4.625) 7.086 22.616 ( -2.489 -1.021 3.040) 4.059 ======================= Grid point 29 (18/170) ======================= q-point: ( 0.25 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 8.087 5.557 -0.354) 9.819 1.325 ( 9.774 -0.720 -3.966) 10.573 1.553 ( 6.908 2.180 4.741) 8.657 1.725 ( 2.730 -7.208 4.093) 8.726 1.941 ( -1.954 9.840 1.855) 10.202 2.116 ( 4.346 4.088 4.658) 7.569 2.250 ( 4.455 1.936 3.550) 6.017 2.451 ( 1.740 4.415 -0.018) 4.746 2.528 ( 8.500 -2.831 -0.200) 8.961 2.732 ( 4.973 -2.916 -1.006) 5.852 2.995 ( 0.044 6.230 -1.442) 6.395 3.094 ( 5.218 2.304 -1.399) 5.874 3.611 ( -5.085 5.121 -0.810) 7.262 3.776 ( 1.042 1.840 3.508) 4.096 3.874 ( 4.418 5.256 5.244) 8.639 3.958 ( -1.684 2.560 -0.129) 3.067 4.153 ( 1.958 6.124 -0.856) 6.486 4.336 ( -0.116 1.943 -2.688) 3.319 4.584 ( -0.896 3.239 -0.496) 3.397 4.755 ( 5.998 -3.687 -2.947) 7.632 5.090 ( 0.392 8.668 -2.407) 9.005 5.350 ( -0.990 2.753 -1.880) 3.478 5.552 ( -3.323 9.901 -1.633) 10.571 5.646 ( -2.796 4.921 -5.737) 8.059 5.833 ( 3.769 9.752 2.302) 10.706 6.194 ( 1.539 -8.504 8.072) 11.826 6.556 ( 6.690 0.468 10.473) 12.436 6.656 ( 5.400 -1.296 11.140) 12.447 6.898 ( -0.557 2.376 6.280) 6.738 7.063 ( 7.385 -5.676 9.535) 13.329 7.355 ( -6.621 5.990 0.755) 8.960 7.786 ( 1.776 -6.395 0.155) 6.638 7.859 ( 4.642 2.882 4.793) 7.268 8.439 ( 8.725 -18.816 7.673) 22.114 9.185 ( -5.773 -0.292 -0.243) 5.785 9.379 ( -1.947 -8.548 -3.669) 9.504 9.662 ( -10.927 14.424 4.251) 18.588 10.171 ( -12.100 -10.489 -3.137) 16.318 12.044 ( -1.720 9.079 -6.307) 11.188 12.285 ( -4.627 1.910 -2.109) 5.432 12.461 ( 3.272 1.866 -0.571) 3.810 12.766 ( 1.039 -8.966 -1.835) 9.210 13.078 ( 3.964 5.777 -3.730) 7.937 13.253 ( 4.099 -1.181 -1.729) 4.603 14.892 ( -5.946 21.116 -3.384) 22.196 15.715 ( 1.352 -18.674 -2.840) 18.938 20.074 ( -1.082 2.305 -3.622) 4.428 20.214 ( -0.175 -3.995 -2.788) 4.874 20.643 ( -1.020 0.996 2.444) 2.829 20.755 ( 2.288 -4.352 0.150) 4.919 21.393 ( 3.556 2.911 -3.034) 5.507 21.503 ( -0.482 -2.029 0.086) 2.087 22.525 ( -2.083 4.542 7.029) 8.625 22.600 ( -2.979 -0.624 4.046) 5.063 ======================= Grid point 30 (19/170) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 5.526 2.849 0.139) 6.219 1.450 ( 7.025 -3.148 -3.475) 8.446 1.635 ( 0.227 6.471 2.048) 6.791 1.780 ( -0.072 -2.973 2.880) 4.140 2.035 ( 7.977 2.369 5.642) 10.054 2.208 ( 3.414 4.576 0.521) 5.733 2.314 ( -0.548 -0.046 1.066) 1.200 2.429 ( -1.700 -2.664 0.364) 3.181 2.697 ( 7.633 1.206 1.444) 7.862 2.814 ( 3.418 -0.400 -0.244) 3.450 3.009 ( 4.442 3.169 -1.088) 5.564 3.136 ( 1.231 -0.849 -2.938) 3.297 3.515 ( -3.100 5.364 -2.157) 6.560 3.723 ( -5.681 -1.189 -1.502) 5.995 3.983 ( 2.178 6.550 6.443) 9.442 4.029 ( 4.320 7.242 2.852) 8.902 4.190 ( 2.031 9.820 -0.003) 10.028 4.315 ( 0.289 2.447 -2.457) 3.480 4.588 ( 1.648 3.737 1.074) 4.223 4.842 ( 6.138 -2.434 -2.106) 6.930 5.092 ( 0.298 10.656 -1.019) 10.709 5.295 ( -2.512 6.089 -2.707) 7.121 5.455 ( -4.875 5.007 -1.096) 7.074 5.520 ( -5.425 1.731 -3.167) 6.516 5.959 ( 7.223 4.980 1.683) 8.934 6.255 ( -0.203 -9.551 3.506) 10.176 6.696 ( 1.397 6.350 5.131) 8.282 6.745 ( 1.172 -2.515 2.842) 3.972 6.950 ( -2.889 7.892 2.384) 8.736 7.274 ( 6.170 -2.511 8.593) 10.872 7.362 ( -0.016 1.644 11.883) 11.996 7.773 ( 2.601 -8.313 -6.556) 10.902 8.062 ( 8.170 4.660 9.236) 13.182 8.638 ( 5.261 -19.815 5.136) 21.135 9.017 ( -5.867 0.940 -5.123) 7.845 9.260 ( -9.818 -9.288 -0.436) 13.523 9.628 ( 0.954 9.928 3.028) 10.423 9.953 ( -9.439 -5.113 -2.462) 11.013 11.982 ( 0.144 6.758 -3.720) 7.715 12.180 ( -4.512 0.472 -2.760) 5.310 12.497 ( 1.425 3.358 -0.145) 3.650 12.769 ( 0.542 -7.843 -0.521) 7.879 13.109 ( 3.010 4.551 -3.017) 6.235 13.289 ( 2.016 -2.361 -1.689) 3.534 14.789 ( -3.059 24.564 -1.947) 24.830 15.704 ( 0.198 -20.201 -1.918) 20.292 20.031 ( -0.607 2.686 -2.324) 3.603 20.190 ( -0.138 -4.540 -1.706) 4.852 20.649 ( -0.535 1.351 1.570) 2.139 20.786 ( 1.208 -4.915 -0.010) 5.062 21.426 ( 3.762 2.392 -3.462) 5.644 21.487 ( -1.896 -0.041 1.054) 2.169 22.551 ( -1.584 3.093 5.154) 6.216 22.592 ( -1.602 0.140 2.737) 3.174 ======================= Grid point 31 (20/170) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 0.000 1.425 0.000) 1.425 1.472 ( -0.000 -0.470 0.000) 0.470 1.660 ( 0.000 4.631 -0.000) 4.631 1.787 ( -0.000 -1.134 0.000) 1.134 2.179 ( 0.000 -1.260 0.000) 1.260 2.246 ( 0.000 3.550 0.000) 3.550 2.286 ( -0.000 1.692 -0.000) 1.692 2.398 ( -0.000 -6.131 0.000) 6.131 2.792 ( -0.000 3.498 -0.000) 3.498 2.824 ( 0.000 2.753 0.000) 2.753 3.091 ( 0.000 -2.185 0.000) 2.185 3.094 ( -0.000 -0.629 -0.000) 0.629 3.480 ( 0.000 5.509 0.000) 5.509 3.654 ( 0.000 0.585 -0.000) 0.585 4.048 ( 0.000 7.575 0.000) 7.575 4.067 ( 0.000 5.625 0.000) 5.625 4.213 ( 0.000 10.778 -0.000) 10.778 4.302 ( 0.000 1.651 0.000) 1.651 4.628 ( -0.000 5.760 -0.000) 5.760 4.881 ( -0.000 3.450 0.000) 3.450 5.093 ( 0.000 7.770 -0.000) 7.770 5.247 ( 0.000 6.442 0.000) 6.442 5.407 ( 0.000 0.059 0.000) 0.059 5.451 ( -0.000 1.636 0.000) 1.636 6.042 ( -0.000 1.831 -0.000) 1.831 6.266 ( -0.000 -8.842 0.000) 8.842 6.719 ( 0.000 5.132 0.000) 5.132 6.791 ( -0.000 1.503 -0.000) 1.503 6.898 ( 0.000 10.451 0.000) 10.451 7.371 ( 0.000 -3.762 0.000) 3.762 7.446 ( 0.000 1.616 0.000) 1.616 7.762 ( 0.000 -11.041 -0.000) 11.041 8.213 ( 0.000 8.932 0.000) 8.932 8.648 ( -0.000 -12.570 -0.000) 12.570 9.065 ( -0.000 -12.091 -0.000) 12.091 9.067 ( 0.000 -5.520 0.000) 5.520 9.666 ( 0.000 6.343 0.000) 6.343 9.847 ( 0.000 -0.204 0.000) 0.204 11.973 ( -0.000 4.636 0.000) 4.636 12.118 ( 0.000 0.721 0.000) 0.721 12.509 ( 0.000 3.960 0.000) 3.960 12.772 ( 0.000 -7.253 -0.000) 7.253 13.122 ( 0.000 3.932 0.000) 3.932 13.297 ( 0.000 -2.771 -0.000) 2.771 14.755 ( 0.000 25.577 0.000) 25.577 15.695 ( 0.000 -20.579 0.000) 20.579 20.014 ( 0.000 2.824 0.000) 2.824 20.181 ( 0.000 -4.771 0.000) 4.771 20.652 ( 0.000 1.457 -0.000) 1.457 20.796 ( 0.000 -5.045 0.000) 5.045 21.453 ( -0.000 0.963 0.000) 0.963 21.464 ( 0.000 1.971 -0.000) 1.971 22.561 ( 0.000 2.006 0.000) 2.006 22.592 ( 0.000 0.871 0.000) 0.871 ======================= Grid point 36 (21/170) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 0.000 -7.463 0.000) 7.463 1.166 ( 0.000 7.463 0.000) 7.463 1.375 ( 0.000 -10.057 0.000) 10.057 1.375 ( 0.000 10.057 0.000) 10.057 2.013 ( 0.000 -2.735 0.000) 2.735 2.013 ( 0.000 2.735 0.000) 2.735 2.224 ( 0.000 -2.087 0.000) 2.087 2.224 ( 0.000 2.087 0.000) 2.087 2.619 ( 0.000 -5.625 0.000) 5.625 2.619 ( 0.000 5.625 0.000) 5.625 3.071 ( 0.000 -1.813 0.000) 1.813 3.071 ( 0.000 1.813 0.000) 1.813 3.611 ( 0.000 -1.741 0.000) 1.741 3.611 ( 0.000 1.741 0.000) 1.741 4.048 ( 0.000 -4.701 0.000) 4.701 4.048 ( 0.000 4.701 0.000) 4.701 4.254 ( 0.000 -0.631 0.000) 0.631 4.254 ( 0.000 0.631 0.000) 0.631 4.663 ( 0.000 -6.684 0.000) 6.684 4.663 ( 0.000 6.684 0.000) 6.684 5.330 ( 0.000 -1.591 0.000) 1.591 5.330 ( 0.000 1.591 0.000) 1.591 5.711 ( 0.000 -2.167 0.000) 2.167 5.711 ( 0.000 2.167 0.000) 2.167 5.895 ( 0.000 -7.745 0.000) 7.745 5.895 ( 0.000 7.745 0.000) 7.745 6.202 ( 0.000 -0.619 0.000) 0.619 6.202 ( 0.000 0.619 0.000) 0.619 6.876 ( 0.000 -5.255 0.000) 5.255 6.876 ( 0.000 5.255 0.000) 5.255 7.583 ( 0.000 -2.813 0.000) 2.813 7.583 ( 0.000 2.813 0.000) 2.813 7.975 ( 0.000 -6.020 0.000) 6.020 7.975 ( 0.000 6.020 0.000) 6.020 9.275 ( 0.000 -6.803 0.000) 6.803 9.275 ( 0.000 6.803 0.000) 6.803 10.215 ( 0.000 -12.336 0.000) 12.336 10.215 ( 0.000 12.336 0.000) 12.336 12.302 ( 0.000 -5.165 0.000) 5.165 12.302 ( 0.000 5.165 0.000) 5.165 12.582 ( 0.000 -8.848 0.000) 8.848 12.582 ( 0.000 8.848 0.000) 8.848 13.130 ( 0.000 -1.615 0.000) 1.615 13.130 ( 0.000 1.615 0.000) 1.615 15.392 ( 0.000 -14.865 0.000) 14.865 15.392 ( 0.000 14.865 0.000) 14.865 20.191 ( 0.000 -2.483 0.000) 2.483 20.191 ( 0.000 2.483 0.000) 2.483 20.653 ( 0.000 -0.192 0.000) 0.192 20.653 ( 0.000 0.192 0.000) 0.192 21.417 ( 0.000 -3.638 0.000) 3.638 21.417 ( 0.000 3.638 0.000) 3.638 22.581 ( 0.000 -3.161 0.000) 3.161 22.581 ( 0.000 3.161 0.000) 3.161 ======================= Grid point 38 (22/170) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 5.513 -6.223 -4.805) 9.603 1.189 ( 5.513 6.223 -4.805) 9.603 1.448 ( 5.554 -7.678 4.087) 10.320 1.448 ( 5.554 7.678 4.087) 10.320 2.062 ( 1.997 -1.713 4.600) 5.300 2.062 ( 1.997 1.713 4.600) 5.300 2.256 ( 3.953 -4.521 -0.019) 6.006 2.256 ( 3.953 4.521 -0.019) 6.006 2.608 ( -0.823 -5.907 -0.060) 5.965 2.608 ( -0.823 5.907 -0.060) 5.965 3.076 ( 1.187 -1.077 -1.207) 2.007 3.076 ( 1.187 1.077 -1.207) 2.007 3.678 ( 3.414 -2.807 6.146) 7.570 3.678 ( 3.414 2.807 6.146) 7.570 3.975 ( -4.350 -6.298 -3.891) 8.586 3.975 ( -4.350 6.298 -3.891) 8.586 4.270 ( 1.959 -6.716 -0.859) 7.048 4.270 ( 1.959 6.716 -0.859) 7.048 4.666 ( 0.631 -4.313 -1.466) 4.599 4.666 ( 0.631 4.313 -1.466) 4.599 5.287 ( -0.371 -5.984 -3.600) 6.993 5.287 ( -0.371 5.984 -3.600) 6.993 5.745 ( 2.716 -3.789 -4.113) 6.217 5.745 ( 2.716 3.789 -4.113) 6.217 5.939 ( 1.145 -7.913 7.188) 10.752 5.939 ( 1.145 7.913 7.188) 10.752 6.342 ( 7.309 -2.997 13.357) 15.518 6.342 ( 7.309 2.997 13.357) 15.518 6.871 ( 0.013 -2.738 0.908) 2.885 6.871 ( 0.013 2.738 0.908) 2.885 7.582 ( -1.517 -4.904 2.871) 5.881 7.582 ( -1.517 4.904 2.871) 5.881 7.990 ( 1.511 -9.927 1.257) 10.120 7.990 ( 1.511 9.927 1.257) 10.120 9.272 ( -0.536 -5.709 -0.128) 5.735 9.272 ( -0.536 5.709 -0.128) 5.735 10.125 ( -9.542 -12.847 -0.108) 16.003 10.125 ( -9.542 12.847 -0.108) 16.003 12.291 ( -1.108 -6.618 -1.571) 6.892 12.291 ( -1.108 6.618 -1.571) 6.892 12.570 ( 0.813 -9.727 -2.697) 10.127 12.570 ( 0.813 9.727 -2.697) 10.127 13.151 ( 2.911 -3.423 -1.408) 4.709 13.151 ( 2.911 3.423 -1.408) 4.709 15.370 ( -1.507 -16.909 -1.772) 17.068 15.370 ( -1.507 16.909 -1.772) 17.068 20.173 ( -0.453 -2.926 -2.736) 4.031 20.173 ( -0.453 2.926 -2.736) 4.031 20.662 ( 0.249 -1.582 1.310) 2.069 20.662 ( 0.249 1.582 1.310) 2.069 21.428 ( 1.570 -3.450 -0.758) 3.865 21.428 ( 1.570 3.450 -0.758) 3.865 22.581 ( -1.944 -2.657 3.787) 5.018 22.581 ( -1.944 2.657 3.787) 5.018 ======================= Grid point 40 (23/170) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 8.501 -5.115 -5.396) 11.293 1.266 ( 8.501 5.115 -5.396) 11.293 1.599 ( 6.106 -3.779 5.010) 8.756 1.599 ( 6.106 3.779 5.010) 8.756 2.125 ( 0.089 -4.983 5.296) 7.272 2.125 ( 0.089 4.983 5.296) 7.272 2.333 ( 3.171 -7.625 -0.310) 8.264 2.333 ( 3.171 7.625 -0.310) 8.264 2.631 ( 4.703 -6.335 0.593) 7.913 2.631 ( 4.703 6.335 0.593) 7.913 3.087 ( 1.761 -2.810 -2.232) 3.998 3.087 ( 1.761 2.810 -2.232) 3.998 3.727 ( -3.842 -5.436 0.314) 6.664 3.727 ( -3.842 5.436 0.314) 6.664 3.953 ( 3.995 -2.881 4.074) 6.392 3.953 ( 3.995 2.881 4.074) 6.392 4.298 ( 2.190 -5.778 -1.086) 6.274 4.298 ( 2.190 5.778 -1.086) 6.274 4.664 ( 1.813 -4.450 -1.995) 5.203 4.664 ( 1.813 4.450 -1.995) 5.203 5.284 ( 2.699 -8.062 -2.539) 8.873 5.284 ( 2.699 8.062 -2.539) 8.873 5.693 ( -3.767 -2.804 -6.018) 7.633 5.693 ( -3.767 2.804 -6.018) 7.633 6.013 ( 0.617 -8.780 5.215) 10.231 6.013 ( 0.617 8.780 5.215) 10.231 6.591 ( 5.152 -3.872 11.922) 13.552 6.591 ( 5.152 3.872 11.922) 13.552 6.952 ( 5.314 -4.119 9.030) 11.258 6.952 ( 5.314 4.119 9.030) 11.258 7.574 ( -2.962 -12.229 3.106) 12.961 7.574 ( -2.962 12.229 3.106) 12.961 8.077 ( 6.859 -15.578 3.434) 17.364 8.077 ( 6.859 15.578 3.434) 17.364 9.232 ( -4.146 -4.999 -1.580) 6.684 9.232 ( -4.146 4.999 -1.580) 6.684 9.940 ( -10.648 -12.384 0.568) 16.343 9.940 ( -10.648 12.384 0.568) 16.343 12.222 ( -3.500 -7.166 -4.232) 9.028 12.222 ( -3.500 7.166 -4.232) 9.028 12.580 ( 2.259 -8.609 -1.229) 8.985 12.580 ( 2.259 8.609 -1.229) 8.985 13.188 ( 3.354 -4.716 -2.921) 6.482 13.188 ( 3.354 4.716 -2.921) 6.482 15.319 ( -1.949 -20.278 -2.281) 20.499 15.319 ( -1.949 20.278 -2.281) 20.499 20.134 ( -0.560 -3.589 -3.392) 4.970 20.134 ( -0.560 3.589 -3.392) 4.970 20.681 ( 0.313 -2.768 1.558) 3.192 20.681 ( 0.313 2.768 1.558) 3.192 21.450 ( 2.004 -2.790 -1.464) 3.734 21.450 ( 2.004 2.790 -1.464) 3.734 22.585 ( -2.626 -1.490 5.521) 6.293 22.585 ( -2.626 1.490 5.521) 6.293 ======================= Grid point 42 (24/170) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 6.149 -5.553 -3.097) 8.845 1.358 ( 6.149 5.553 -3.097) 8.845 1.714 ( 2.819 -3.036 2.730) 4.961 1.714 ( 2.819 3.036 2.730) 4.961 2.179 ( 0.607 -8.441 5.551) 10.121 2.179 ( 0.607 8.441 5.551) 10.121 2.338 ( 0.073 -3.998 -2.844) 4.907 2.338 ( 0.073 3.998 -2.844) 4.907 2.762 ( 6.920 -3.783 2.532) 8.284 2.762 ( 6.920 3.783 2.532) 8.284 3.085 ( 0.535 -3.673 -2.729) 4.607 3.085 ( 0.535 3.673 -2.729) 4.607 3.641 ( -3.500 -6.014 -1.798) 7.187 3.641 ( -3.500 6.014 -1.798) 7.187 4.076 ( 3.326 -1.959 4.934) 6.264 4.076 ( 3.326 1.959 4.934) 6.264 4.316 ( 1.114 -2.628 -1.410) 3.183 4.316 ( 1.114 2.628 -1.410) 3.183 4.718 ( 5.276 -7.789 0.404) 9.416 4.718 ( 5.276 7.789 0.404) 9.416 5.307 ( 1.732 -6.608 -1.710) 7.042 5.307 ( 1.732 6.608 -1.710) 7.042 5.520 ( -8.453 -2.120 -5.207) 10.152 5.520 ( -8.453 2.120 -5.207) 10.152 6.073 ( 2.043 -7.041 2.652) 7.797 6.073 ( 2.043 7.041 2.652) 7.797 6.714 ( 1.251 -2.242 5.140) 5.746 6.714 ( 1.251 2.242 5.140) 5.746 7.146 ( 4.224 -8.412 8.669) 12.797 7.146 ( 4.224 8.412 8.669) 12.797 7.553 ( -1.585 -12.625 2.788) 13.026 7.553 ( -1.585 12.625 2.788) 13.026 8.270 ( 10.010 -14.999 4.455) 18.574 8.270 ( 10.009 14.999 4.455) 18.574 9.091 ( -8.671 -6.385 -3.488) 11.319 9.091 ( -8.671 6.385 -3.488) 11.319 9.817 ( -4.601 -8.107 1.370) 9.422 9.817 ( -4.601 8.107 1.370) 9.422 12.123 ( -2.876 -5.813 -3.718) 7.476 12.123 ( -2.876 5.813 -3.718) 7.476 12.609 ( 1.452 -7.281 0.056) 7.425 12.609 ( 1.452 7.281 0.056) 7.425 13.208 ( 2.003 -4.907 -2.585) 5.897 13.208 ( 2.003 4.907 -2.585) 5.897 15.272 ( -1.262 -22.359 -1.470) 22.443 15.272 ( -1.262 22.359 -1.470) 22.443 20.100 ( -0.342 -4.045 -2.155) 4.596 20.100 ( -0.342 4.045 -2.155) 4.596 20.698 ( 0.173 -3.443 0.962) 3.579 20.698 ( 0.173 3.443 0.962) 3.579 21.466 ( 1.293 -1.653 -1.254) 2.444 21.466 ( 1.293 1.653 -1.254) 2.444 22.591 ( -1.772 -0.745 3.992) 4.431 22.591 ( -1.772 0.745 3.992) 4.431 ======================= Grid point 44 (25/170) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 0.000 -5.167 0.000) 5.167 1.399 ( 0.000 5.167 0.000) 5.167 1.748 ( 0.000 -3.353 0.000) 3.353 1.748 ( 0.000 3.353 0.000) 3.353 2.223 ( 0.000 -5.470 0.000) 5.470 2.223 ( 0.000 5.470 0.000) 5.470 2.315 ( 0.000 -2.471 0.000) 2.471 2.315 ( 0.000 2.471 0.000) 2.471 2.846 ( 0.000 -1.133 0.000) 1.133 2.846 ( 0.000 1.133 0.000) 1.133 3.069 ( 0.000 -0.567 0.000) 0.567 3.069 ( 0.000 0.567 0.000) 0.567 3.601 ( 0.000 -5.199 0.000) 5.199 3.601 ( 0.000 5.199 0.000) 5.199 4.129 ( 0.000 -0.038 0.000) 0.038 4.129 ( 0.000 0.038 0.000) 0.038 4.316 ( 0.000 -0.588 0.000) 0.588 4.316 ( 0.000 0.588 0.000) 0.588 4.789 ( 0.000 -8.455 0.000) 8.455 4.789 ( 0.000 8.455 0.000) 8.455 5.302 ( 0.000 -5.447 0.000) 5.447 5.302 ( -0.000 5.447 0.000) 5.447 5.411 ( 0.000 -1.930 0.000) 1.930 5.411 ( 0.000 1.930 0.000) 1.930 6.108 ( 0.000 -5.303 0.000) 5.303 6.108 ( 0.000 5.303 0.000) 5.303 6.747 ( 0.000 -3.412 -0.000) 3.412 6.747 ( 0.000 3.412 0.000) 3.412 7.212 ( 0.000 -12.247 0.000) 12.247 7.212 ( 0.000 12.247 0.000) 12.247 7.565 ( 0.000 -8.764 0.000) 8.764 7.565 ( 0.000 8.764 0.000) 8.764 8.406 ( 0.000 -10.322 0.000) 10.322 8.406 ( 0.000 10.322 0.000) 10.322 8.968 ( 0.000 -1.805 0.000) 1.805 8.968 ( 0.000 1.805 0.000) 1.805 9.789 ( 0.000 -5.008 0.000) 5.008 9.789 ( 0.000 5.008 0.000) 5.008 12.079 ( 0.000 -4.442 0.000) 4.442 12.079 ( 0.000 4.442 0.000) 4.442 12.623 ( 0.000 -6.951 0.000) 6.951 12.623 ( 0.000 6.951 0.000) 6.951 13.212 ( 0.000 -4.819 -0.000) 4.819 13.212 ( 0.000 4.819 0.000) 4.819 15.254 ( 0.000 -22.975 0.000) 22.975 15.254 ( 0.000 22.975 0.000) 22.975 20.087 ( 0.000 -4.214 0.000) 4.214 20.087 ( 0.000 4.214 0.000) 4.214 20.704 ( 0.000 -3.655 0.000) 3.655 20.704 ( 0.000 3.655 0.000) 3.655 21.472 ( 0.000 -0.659 0.000) 0.659 21.472 ( 0.000 0.659 0.000) 0.659 22.595 ( 0.000 -0.886 0.000) 0.886 22.595 ( 0.000 0.886 0.000) 0.886 ======================= Grid point 81 (26/170) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.359 ( -5.359 0.000 16.544) 17.391 0.508 ( -10.381 0.000 25.946) 27.945 0.845 ( -7.817 0.000 41.950) 42.672 1.582 ( 5.046 0.000 3.809) 6.322 1.588 ( 2.331 0.000 5.516) 5.988 1.744 ( -1.608 0.000 9.097) 9.238 1.988 ( 3.637 0.000 4.603) 5.867 1.997 ( -1.108 0.000 4.770) 4.897 2.224 ( 1.819 0.000 2.319) 2.947 2.425 ( -0.182 0.000 -1.876) 1.884 2.658 ( 0.925 0.000 6.358) 6.425 2.767 ( -2.416 0.000 4.851) 5.420 3.114 ( -5.574 0.000 -0.804) 5.632 3.672 ( 7.809 0.000 5.415) 9.503 3.686 ( 2.987 0.000 5.955) 6.662 3.823 ( 0.336 0.000 -6.499) 6.508 4.015 ( -0.878 0.000 -1.006) 1.335 4.334 ( -1.549 0.000 -5.685) 5.892 4.520 ( 2.158 0.000 -2.512) 3.312 4.571 ( -6.860 0.000 5.120) 8.560 4.726 ( 5.051 0.000 -2.180) 5.502 4.894 ( -6.693 0.000 8.196) 10.582 5.324 ( -2.270 0.000 -0.149) 2.275 5.455 ( -1.137 0.000 -1.724) 2.066 5.719 ( -2.862 0.000 5.858) 6.520 6.048 ( 34.266 0.000 3.307) 34.425 6.181 ( 2.713 0.000 -4.321) 5.102 6.432 ( 6.111 0.000 3.466) 7.025 6.650 ( 13.029 0.000 5.904) 14.304 7.233 ( -5.174 0.000 -9.702) 10.996 7.632 ( -4.475 0.000 0.546) 4.508 7.997 ( 8.328 0.000 7.338) 11.099 8.367 ( -13.788 0.000 11.285) 17.818 8.498 ( 1.769 0.000 0.685) 1.897 9.205 ( -2.474 0.000 -1.214) 2.756 9.496 ( -1.864 0.000 -2.359) 3.007 9.915 ( 5.703 0.000 -3.426) 6.653 11.226 ( -4.445 0.000 -9.879) 10.832 12.028 ( 1.237 0.000 -0.213) 1.255 12.176 ( 2.050 0.000 -2.765) 3.442 12.406 ( 26.457 0.000 -2.698) 26.594 12.710 ( -3.669 0.000 -3.580) 5.126 12.973 ( -2.551 0.000 0.642) 2.630 13.125 ( -0.562 0.000 -3.314) 3.361 13.699 ( -0.748 0.000 0.604) 0.961 16.353 ( -64.966 0.000 -0.511) 64.968 20.069 ( -2.528 0.000 -1.761) 3.081 20.368 ( -0.470 0.000 2.173) 2.223 20.732 ( -2.688 0.000 5.859) 6.446 20.927 ( -0.072 0.000 -0.384) 0.391 21.009 ( 0.175 0.000 0.834) 0.852 21.650 ( 3.570 0.000 -1.132) 3.745 21.945 ( 40.191 0.000 -0.399) 40.193 23.239 ( -34.912 0.000 0.774) 34.920 ======================= Grid point 82 (27/170) ======================= q-point: ( 0.12 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( 14.148 0.000 8.413) 16.460 0.763 ( 13.189 0.000 19.401) 23.459 1.268 ( 13.782 0.000 27.939) 31.153 1.678 ( 4.637 0.000 1.050) 4.755 1.696 ( 1.335 0.000 3.478) 3.725 1.857 ( 3.529 0.000 10.230) 10.821 2.100 ( 5.039 0.000 12.710) 13.673 2.165 ( 8.580 0.000 8.425) 12.024 2.304 ( 2.058 0.000 4.832) 5.252 2.466 ( 7.054 0.000 -2.424) 7.458 2.686 ( -3.151 0.000 3.268) 4.540 2.797 ( 0.206 0.000 4.824) 4.828 3.039 ( -0.241 0.000 -1.950) 1.965 3.699 ( -0.089 0.000 -3.510) 3.511 3.766 ( -0.422 0.000 4.976) 4.994 3.864 ( 1.803 0.000 2.826) 3.352 3.994 ( -4.260 0.000 -2.172) 4.782 4.176 ( -6.545 0.000 -6.420) 9.168 4.498 ( -3.098 0.000 2.237) 3.821 4.570 ( -0.606 0.000 -1.254) 1.393 4.840 ( 7.905 0.000 -0.769) 7.942 4.880 ( -3.946 0.000 13.446) 14.013 5.349 ( 2.761 0.000 -1.822) 3.308 5.423 ( 2.016 0.000 -1.122) 2.307 5.688 ( -4.475 0.000 2.285) 5.024 6.006 ( -13.516 0.000 -10.012) 16.820 6.297 ( 0.137 0.000 11.098) 11.099 6.645 ( 20.116 0.000 -7.960) 21.634 6.932 ( 9.228 0.000 5.097) 10.542 7.112 ( -3.211 0.000 2.042) 3.805 7.689 ( 4.032 0.000 5.958) 7.194 8.270 ( 14.023 0.000 5.507) 15.065 8.314 ( -6.873 0.000 12.444) 14.216 8.576 ( 4.302 0.000 7.034) 8.245 9.101 ( -8.627 0.000 -1.978) 8.851 9.425 ( -2.844 0.000 -4.482) 5.308 9.890 ( -2.392 0.000 -8.207) 8.549 10.915 ( -17.170 0.000 -10.655) 20.207 12.068 ( 1.405 0.000 1.268) 1.892 12.141 ( 2.390 0.000 -8.088) 8.433 12.555 ( -8.307 0.000 -0.715) 8.337 12.625 ( 7.583 0.000 -8.947) 11.728 12.926 ( -3.884 0.000 8.885) 9.697 13.103 ( 3.224 0.000 -5.465) 6.345 13.705 ( 0.580 0.000 0.676) 0.891 16.162 ( 15.107 0.000 -5.624) 16.120 20.011 ( -2.036 0.000 -2.293) 3.067 20.380 ( -0.466 0.000 2.257) 2.304 20.729 ( -3.409 0.000 4.743) 5.841 20.922 ( -0.002 0.000 -0.552) 0.552 21.019 ( 0.211 0.000 0.751) 0.780 21.617 ( -4.728 0.000 1.324) 4.910 22.364 ( 17.389 0.000 -6.606) 18.602 22.806 ( -21.767 0.000 14.641) 26.233 ======================= Grid point 83 (28/170) ======================= q-point: ( 0.25 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( 12.319 0.000 3.210) 12.731 1.185 ( 17.355 0.000 11.898) 21.042 1.585 ( 2.415 0.000 1.876) 3.058 1.763 ( 1.666 0.000 1.229) 2.070 1.830 ( 11.046 0.000 12.379) 16.591 2.029 ( 9.037 0.000 7.214) 11.563 2.254 ( 0.038 0.000 2.470) 2.471 2.393 ( 2.174 0.000 10.474) 10.697 2.449 ( 12.568 0.000 1.369) 12.642 2.534 ( 3.442 0.000 4.548) 5.703 2.654 ( -1.254 0.000 1.865) 2.248 2.874 ( 3.234 0.000 6.238) 7.027 3.095 ( 5.701 0.000 1.417) 5.875 3.669 ( -0.043 0.000 -4.071) 4.071 3.717 ( -8.944 0.000 0.361) 8.951 3.829 ( -0.708 0.000 -3.163) 3.241 3.901 ( -7.426 0.000 4.596) 8.734 4.072 ( -4.129 0.000 -0.100) 4.130 4.435 ( -4.050 0.000 -2.292) 4.653 4.522 ( -4.153 0.000 1.643) 4.466 4.875 ( -0.560 0.000 3.554) 3.598 5.068 ( 8.022 0.000 6.789) 10.509 5.285 ( -5.237 0.000 -1.800) 5.538 5.513 ( 1.517 0.000 -1.334) 2.020 5.628 ( -6.401 0.000 0.208) 6.405 5.791 ( 5.955 0.000 -5.283) 7.960 6.357 ( -0.969 0.000 4.911) 5.006 6.837 ( -3.448 0.000 -2.084) 4.029 6.955 ( 9.802 0.000 -5.573) 11.276 7.265 ( 6.384 0.000 11.779) 13.398 7.820 ( 2.157 0.000 8.008) 8.293 8.300 ( -2.837 0.000 0.448) 2.873 8.497 ( 9.633 0.000 -0.701) 9.658 8.793 ( 8.623 0.000 13.240) 15.801 8.909 ( -13.008 0.000 6.715) 14.639 9.342 ( -0.422 0.000 -6.502) 6.516 9.731 ( -7.443 0.000 -5.632) 9.333 10.490 ( -19.521 0.000 -12.506) 23.183 12.063 ( 0.910 0.000 -5.828) 5.899 12.151 ( 3.566 0.000 -1.608) 3.912 12.456 ( -2.711 0.000 0.295) 2.727 12.653 ( 5.195 0.000 -7.018) 8.732 12.966 ( -0.816 0.000 5.947) 6.003 13.112 ( 2.732 0.000 -3.994) 4.839 13.727 ( 0.966 0.000 1.006) 1.395 16.374 ( 15.605 0.000 -7.895) 17.488 19.964 ( -1.582 0.000 -0.932) 1.836 20.397 ( -0.392 0.000 3.063) 3.088 20.704 ( -3.756 0.000 3.313) 5.008 20.917 ( -0.038 0.000 -0.412) 0.414 21.027 ( 0.146 0.000 0.173) 0.226 21.550 ( -5.741 0.000 4.322) 7.186 22.517 ( 8.859 0.000 -9.680) 13.122 22.670 ( -9.833 0.000 12.941) 16.254 ======================= Grid point 84 (29/170) ======================= q-point: ( 0.38 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 6.662 0.000 1.826) 6.908 1.500 ( 7.959 0.000 4.462) 9.124 1.597 ( 2.005 0.000 -0.805) 2.161 1.806 ( 2.435 0.000 2.947) 3.823 2.020 ( -3.570 0.000 4.413) 5.676 2.210 ( 7.398 0.000 -3.687) 8.265 2.260 ( 2.276 0.000 0.808) 2.415 2.399 ( 2.426 0.000 -1.208) 2.710 2.560 ( -3.805 0.000 -0.647) 3.860 2.678 ( 6.129 0.000 9.082) 10.957 2.788 ( 5.380 0.000 8.704) 10.233 3.038 ( 7.405 0.000 10.338) 12.716 3.180 ( 0.578 0.000 2.333) 2.403 3.589 ( -2.481 0.000 -0.126) 2.485 3.656 ( -0.981 0.000 -0.064) 0.983 3.764 ( -5.510 0.000 -1.197) 5.638 3.823 ( -3.360 0.000 -1.047) 3.519 3.966 ( -7.780 0.000 -0.460) 7.794 4.355 ( -2.041 0.000 -2.444) 3.184 4.479 ( -3.252 0.000 4.237) 5.341 4.905 ( 1.400 0.000 1.289) 1.903 5.160 ( -4.337 0.000 3.146) 5.358 5.234 ( 1.726 0.000 1.031) 2.010 5.448 ( -3.528 0.000 -1.784) 3.954 5.502 ( -1.867 0.000 -9.079) 9.269 6.018 ( 12.234 0.000 5.732) 13.510 6.381 ( 0.494 0.000 2.258) 2.311 6.657 ( -8.080 0.000 -5.491) 9.769 7.096 ( 6.484 0.000 -1.195) 6.593 7.400 ( 2.096 0.000 -0.944) 2.299 7.853 ( -6.023 0.000 2.941) 6.703 8.146 ( -0.770 0.000 -20.993) 21.007 8.690 ( 6.572 0.000 10.477) 12.368 8.782 ( -10.257 0.000 12.349) 16.053 9.064 ( 4.739 0.000 10.142) 11.195 9.342 ( 6.812 0.000 -0.823) 6.861 9.569 ( -7.348 0.000 -2.782) 7.857 10.079 ( -12.822 0.000 -10.573) 16.620 12.017 ( 2.296 0.000 -9.984) 10.245 12.204 ( 1.580 0.000 2.945) 3.342 12.443 ( 0.435 0.000 -0.499) 0.662 12.697 ( 6.047 0.000 -3.886) 7.188 12.986 ( -1.155 0.000 2.268) 2.545 13.124 ( 0.954 0.000 -0.407) 1.037 13.752 ( 0.529 0.000 1.504) 1.594 16.559 ( 11.318 0.000 -0.567) 11.332 19.947 ( -0.540 0.000 1.436) 1.534 20.419 ( -0.884 0.000 3.688) 3.792 20.667 ( -3.213 0.000 2.031) 3.802 20.915 ( 0.083 0.000 0.094) 0.126 21.026 ( -0.001 0.000 -0.848) 0.848 21.505 ( -5.156 0.000 6.041) 7.942 22.460 ( 0.740 0.000 -16.640) 16.656 22.710 ( -1.344 0.000 11.869) 11.945 ======================= Grid point 85 (30/170) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 0.058 0.000 2.431) 2.432 1.541 ( -0.226 0.000 -1.151) 1.173 1.655 ( 1.547 0.000 1.343) 2.048 1.816 ( -11.925 0.000 -3.672) 12.478 1.891 ( -1.537 0.000 0.679) 1.680 2.181 ( -8.275 0.000 -6.889) 10.768 2.293 ( 0.051 0.000 -0.484) 0.487 2.380 ( 0.109 0.000 -3.772) 3.773 2.554 ( 0.368 0.000 -0.258) 0.450 2.830 ( -2.807 0.000 14.802) 15.066 2.885 ( 0.216 0.000 6.559) 6.563 3.097 ( -8.564 0.000 4.100) 9.495 3.291 ( 3.747 0.000 9.168) 9.904 3.553 ( -2.137 0.000 -3.639) 4.220 3.646 ( -5.705 0.000 -0.112) 5.706 3.678 ( -2.034 0.000 -0.094) 2.036 3.728 ( 4.402 0.000 -0.746) 4.465 3.915 ( 3.633 0.000 -3.904) 5.333 4.323 ( 0.368 0.000 -2.096) 2.128 4.498 ( -0.811 0.000 6.239) 6.291 4.925 ( -2.139 0.000 1.405) 2.559 5.106 ( -4.056 0.000 -2.851) 4.958 5.235 ( 0.461 0.000 3.519) 3.549 5.394 ( 0.864 0.000 -11.837) 11.868 5.449 ( 3.351 0.000 1.126) 3.535 6.163 ( -3.078 0.000 3.879) 4.952 6.438 ( 0.350 0.000 4.512) 4.525 6.514 ( 2.358 0.000 -7.880) 8.225 7.126 ( -2.594 0.000 -6.666) 7.152 7.302 ( -5.423 0.000 -12.490) 13.617 7.678 ( -2.184 0.000 -9.183) 9.439 8.052 ( 2.357 0.000 -6.894) 7.286 8.686 ( -3.352 0.000 -5.538) 6.474 8.840 ( -5.285 0.000 15.744) 16.607 9.091 ( -12.496 0.000 0.261) 12.499 9.448 ( 0.626 0.000 2.165) 2.254 9.527 ( 9.445 0.000 7.110) 11.822 10.016 ( 11.052 0.000 -0.546) 11.066 11.960 ( 1.852 0.000 -10.089) 10.257 12.252 ( 0.604 0.000 3.067) 3.126 12.443 ( -0.140 0.000 -0.336) 0.364 12.773 ( 3.575 0.000 0.411) 3.599 12.988 ( 1.654 0.000 -1.159) 2.019 13.127 ( -1.498 0.000 1.363) 2.025 13.769 ( -0.511 0.000 2.021) 2.085 16.767 ( 8.756 0.000 9.532) 12.944 19.972 ( 0.574 0.000 3.736) 3.780 20.429 ( -1.861 0.000 3.528) 3.989 20.639 ( -1.855 0.000 1.691) 2.510 20.922 ( 0.285 0.000 0.639) 0.699 21.014 ( 0.014 0.000 -1.618) 1.618 21.477 ( -4.411 0.000 5.324) 6.914 22.277 ( -2.636 0.000 -19.570) 19.747 22.803 ( 1.582 0.000 8.278) 8.428 ======================= Grid point 86 (31/170) ======================= q-point: (-0.38 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( -9.093 0.000 3.421) 9.715 1.423 ( -22.344 0.000 -6.970) 23.405 1.525 ( -1.282 0.000 -0.470) 1.365 1.727 ( 2.011 0.000 1.507) 2.513 1.775 ( -15.134 0.000 -2.776) 15.386 1.939 ( -7.061 0.000 -7.319) 10.170 2.239 ( -5.205 0.000 -2.050) 5.594 2.298 ( -8.349 0.000 -1.379) 8.462 2.498 ( -4.179 0.000 -2.438) 4.839 2.776 ( -15.920 0.000 7.028) 17.402 2.849 ( -12.725 0.000 8.908) 15.533 2.995 ( -8.620 0.000 5.876) 10.432 3.337 ( -3.720 0.000 7.541) 8.409 3.489 ( 2.348 0.000 -5.303) 5.799 3.638 ( 5.343 0.000 -5.175) 7.438 3.756 ( 7.659 0.000 1.941) 7.902 3.857 ( 6.942 0.000 3.337) 7.702 4.000 ( 8.488 0.000 1.901) 8.699 4.318 ( 2.251 0.000 -4.192) 4.758 4.536 ( -0.576 0.000 4.109) 4.149 4.785 ( -10.652 0.000 -4.796) 11.682 5.041 ( 0.497 0.000 -2.666) 2.712 5.301 ( 2.363 0.000 -5.302) 5.805 5.398 ( 7.706 0.000 4.090) 8.724 5.530 ( 3.753 0.000 1.504) 4.043 6.045 ( -10.832 0.000 2.254) 11.064 6.353 ( -2.644 0.000 -7.103) 7.579 6.632 ( 4.189 0.000 -1.955) 4.623 6.836 ( -9.005 0.000 -22.128) 23.891 7.086 ( -2.939 0.000 -11.815) 12.175 7.754 ( 5.981 0.000 9.130) 10.915 8.022 ( 1.072 0.000 -5.303) 5.411 8.594 ( -2.728 0.000 -6.690) 7.225 8.644 ( -17.521 0.000 -9.582) 19.970 8.949 ( -2.672 0.000 7.738) 8.186 9.569 ( 2.748 0.000 9.592) 9.978 9.773 ( 9.696 0.000 8.410) 12.835 10.304 ( 20.173 0.000 -0.123) 20.173 11.905 ( 1.781 0.000 -7.969) 8.166 12.272 ( -0.701 0.000 1.115) 1.317 12.426 ( -2.185 0.000 0.379) 2.218 12.803 ( -0.477 0.000 1.200) 1.291 13.027 ( 2.202 0.000 -0.005) 2.202 13.096 ( -1.472 0.000 -1.367) 2.009 13.769 ( -1.791 0.000 2.174) 2.817 17.045 ( 7.990 0.000 20.910) 22.385 20.027 ( 1.048 0.000 4.776) 4.890 20.425 ( -1.950 0.000 3.360) 3.885 20.637 ( -0.634 0.000 2.290) 2.376 20.933 ( 0.096 0.000 0.616) 0.623 21.001 ( 0.404 0.000 -1.614) 1.664 21.441 ( -3.546 0.000 0.622) 3.600 22.021 ( -5.146 0.000 -21.081) 21.700 22.920 ( 3.336 0.000 8.586) 9.212 ======================= Grid point 87 (32/170) ======================= q-point: (-0.25 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( -20.546 0.000 3.312) 20.812 0.928 ( -26.178 0.000 -3.488) 26.409 1.383 ( -28.936 0.000 8.396) 30.129 1.520 ( -0.887 0.000 -0.111) 0.894 1.749 ( -2.181 0.000 -3.455) 4.086 1.821 ( -4.482 0.000 1.009) 4.594 1.999 ( -12.729 0.000 -3.477) 13.196 2.201 ( -4.565 0.000 -0.503) 4.592 2.343 ( -11.833 0.000 -2.283) 12.051 2.568 ( -10.295 0.000 5.668) 11.752 2.703 ( -10.268 0.000 3.353) 10.802 2.891 ( -8.616 0.000 5.066) 9.995 3.314 ( -8.279 0.000 8.163) 11.627 3.500 ( 5.479 0.000 -7.838) 9.563 3.642 ( 1.897 0.000 -5.745) 6.050 3.922 ( 7.572 0.000 0.214) 7.575 4.024 ( 5.583 0.000 3.258) 6.464 4.169 ( 5.853 0.000 4.535) 7.404 4.350 ( 9.294 0.000 -4.966) 10.538 4.565 ( 1.672 0.000 1.336) 2.140 4.607 ( -5.356 0.000 0.417) 5.372 5.032 ( -1.211 0.000 1.246) 1.738 5.302 ( 4.852 0.000 -6.909) 8.443 5.543 ( 1.366 0.000 0.952) 1.665 5.584 ( 0.320 0.000 3.611) 3.625 5.902 ( -7.092 0.000 -0.279) 7.098 6.264 ( 0.698 0.000 -7.673) 7.705 6.408 ( -9.709 0.000 -13.970) 17.013 6.618 ( -2.612 0.000 -14.069) 14.309 7.107 ( 9.547 0.000 -1.715) 9.699 7.860 ( -3.047 0.000 6.317) 7.013 8.096 ( 6.325 0.000 7.081) 9.494 8.209 ( -13.874 0.000 -13.643) 19.458 8.553 ( -3.268 0.000 0.524) 3.310 9.015 ( 4.945 0.000 2.110) 5.377 9.672 ( -0.523 0.000 7.676) 7.694 9.956 ( 6.150 0.000 -0.914) 6.217 10.654 ( 20.071 0.000 0.853) 20.089 11.885 ( 2.497 0.000 -4.047) 4.756 12.238 ( -3.608 0.000 -1.629) 3.958 12.367 ( -4.538 0.000 -0.498) 4.565 12.802 ( 0.387 0.000 -0.699) 0.799 12.994 ( -6.437 0.000 3.622) 7.386 13.101 ( 4.284 0.000 -5.267) 6.789 13.749 ( -2.617 0.000 1.870) 3.216 17.436 ( 11.237 0.000 28.783) 30.899 20.082 ( 0.423 0.000 3.952) 3.975 20.433 ( -0.888 0.000 3.858) 3.959 20.656 ( -0.046 0.000 3.080) 3.081 20.933 ( -0.193 0.000 -0.424) 0.466 21.001 ( 0.761 0.000 -0.662) 1.009 21.322 ( -5.624 0.000 -13.728) 14.835 21.765 ( -5.276 0.000 -10.578) 11.821 23.086 ( 5.324 0.000 12.816) 13.878 ======================= Grid point 88 (33/170) ======================= q-point: (-0.12 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.533 ( -20.436 0.000 17.264) 26.752 0.564 ( -25.462 0.000 9.221) 27.080 0.966 ( -36.168 0.000 26.115) 44.611 1.535 ( 1.822 0.000 1.390) 2.291 1.574 ( -9.275 0.000 0.193) 9.277 1.734 ( -6.111 0.000 4.285) 7.463 1.951 ( 3.115 0.000 -0.235) 3.124 2.057 ( -9.648 0.000 1.688) 9.794 2.218 ( -1.744 0.000 -0.366) 1.782 2.480 ( -6.294 0.000 2.190) 6.664 2.610 ( -3.427 0.000 4.548) 5.695 2.809 ( -6.313 0.000 4.601) 7.812 3.225 ( -8.204 0.000 3.753) 9.022 3.509 ( 3.794 0.000 -4.109) 5.593 3.638 ( 0.309 0.000 0.692) 0.758 3.928 ( -4.965 0.000 -4.554) 6.737 4.053 ( 5.373 0.000 -7.338) 9.095 4.322 ( 5.006 0.000 1.297) 5.171 4.494 ( 7.749 0.000 -5.168) 9.314 4.610 ( 1.528 0.000 2.179) 2.662 4.651 ( 5.251 0.000 6.682) 8.498 5.009 ( -3.581 0.000 -3.527) 5.026 5.333 ( 3.740 0.000 2.443) 4.467 5.473 ( -6.038 0.000 -0.940) 6.111 5.561 ( -4.585 0.000 0.126) 4.587 5.734 ( -7.011 0.000 1.483) 7.166 6.191 ( -1.491 0.000 -3.472) 3.779 6.320 ( 0.968 0.000 5.664) 5.746 6.521 ( 3.934 0.000 -6.217) 7.357 7.254 ( 8.154 0.000 -2.828) 8.630 7.854 ( -5.898 0.000 -13.645) 14.865 7.879 ( -3.113 0.000 4.137) 5.178 8.351 ( 6.347 0.000 14.399) 15.735 8.500 ( -3.287 0.000 0.379) 3.309 9.147 ( 7.540 0.000 2.079) 7.821 9.656 ( -5.760 0.000 -4.663) 7.411 9.923 ( -3.056 0.000 -8.222) 8.771 11.029 ( 20.379 0.000 7.949) 21.875 11.939 ( 5.242 0.000 5.578) 7.655 12.106 ( -7.983 0.000 -2.832) 8.471 12.288 ( -2.631 0.000 -2.005) 3.308 12.782 ( -2.218 0.000 -1.654) 2.767 12.951 ( -0.239 0.000 2.061) 2.075 13.118 ( 2.799 0.000 -3.511) 4.490 13.720 ( -2.316 0.000 1.227) 2.621 17.729 ( -5.774 0.000 -25.338) 25.988 20.110 ( -1.001 0.000 2.524) 2.715 20.417 ( -3.776 0.000 -4.921) 6.203 20.703 ( 0.220 0.000 7.234) 7.238 20.926 ( 0.492 0.000 0.116) 0.505 21.004 ( -0.980 0.000 -0.020) 0.980 21.134 ( 5.903 0.000 10.752) 12.265 21.686 ( -1.247 0.000 2.619) 2.901 23.362 ( 11.863 0.000 12.182) 17.003 ======================= Grid point 89 (34/170) ======================= q-point: ( 0.00 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( -4.454 14.847 15.403) 21.852 0.781 ( -2.019 19.304 16.315) 25.356 1.082 ( -4.475 24.118 15.605) 29.073 1.574 ( 4.029 2.639 0.529) 4.845 1.679 ( -0.947 1.090 9.645) 9.753 1.791 ( -0.410 10.371 7.375) 12.732 1.972 ( 4.331 -0.337 2.026) 4.793 2.042 ( -2.321 1.983 9.195) 9.689 2.236 ( -0.236 0.683 3.393) 3.469 2.507 ( -0.163 4.108 -1.688) 4.444 2.703 ( -0.491 6.713 6.374) 9.270 2.987 ( -4.199 2.359 -2.376) 5.370 3.355 ( -4.251 16.504 -14.220) 22.196 3.647 ( 7.027 -1.121 3.992) 8.159 3.731 ( 1.929 2.959 3.436) 4.928 3.846 ( 0.926 1.897 -4.388) 4.869 4.017 ( 0.694 1.384 0.318) 1.580 4.362 ( -2.736 2.440 -4.287) 5.641 4.472 ( -0.745 -0.242 -0.895) 1.189 4.642 ( -2.973 3.228 8.107) 9.218 4.812 ( 8.506 10.273 -5.678) 14.496 5.053 ( -6.481 11.157 4.931) 13.813 5.297 ( -7.609 0.005 -7.730) 10.847 5.455 ( -0.785 0.480 0.624) 1.112 5.654 ( -2.026 -3.820 3.867) 5.801 6.098 ( 9.943 -0.510 3.662) 10.609 6.388 ( 5.482 4.722 4.890) 8.732 6.502 ( 12.619 8.155 -4.293) 15.626 6.643 ( 15.723 2.860 2.443) 16.166 7.190 ( -5.376 -4.005 -7.124) 9.782 7.650 ( -4.417 0.601 -2.031) 4.898 7.867 ( 3.151 -9.466 7.309) 12.367 8.191 ( -10.985 -12.146 8.152) 18.293 8.622 ( 3.752 3.576 5.999) 7.928 8.865 ( 5.014 -8.754 17.503) 20.203 9.626 ( 2.529 2.816 -6.857) 7.832 9.929 ( -0.866 -0.420 1.646) 1.907 10.992 ( -3.831 -15.758 -2.314) 16.381 11.918 ( -0.739 -3.825 -2.835) 4.818 12.166 ( -0.909 -0.421 -3.295) 3.444 12.320 ( 10.651 0.817 2.886) 11.065 12.724 ( -1.597 4.065 -3.086) 5.347 12.888 ( -10.409 4.241 7.404) 13.459 13.075 ( 2.957 -2.200 -6.125) 7.148 14.458 ( 11.042 27.166 -28.935) 41.196 16.163 ( -30.447 -12.050 5.467) 33.198 20.090 ( -2.443 1.002 -2.906) 3.927 20.355 ( -1.150 -1.222 1.688) 2.380 20.734 ( -2.316 -0.270 5.623) 6.087 20.871 ( -0.315 -5.860 0.204) 5.872 21.098 ( 0.700 7.626 -4.257) 8.762 21.627 ( 1.739 -2.164 -1.208) 3.028 22.156 ( 22.088 13.286 -4.096) 26.099 22.951 ( -19.169 -15.566 14.509) 28.640 ======================= Grid point 90 (35/170) ======================= q-point: ( 0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( 4.669 15.374 11.705) 19.879 0.981 ( 9.396 15.867 11.668) 21.822 1.342 ( 11.283 7.209 17.114) 21.729 1.659 ( 5.024 2.371 -0.751) 5.606 1.731 ( -1.057 -0.857 6.616) 6.755 1.928 ( 5.098 6.436 6.740) 10.623 2.103 ( 5.569 2.261 8.148) 10.124 2.165 ( 4.848 -1.024 10.741) 11.828 2.354 ( 8.278 4.719 6.472) 11.518 2.519 ( 3.936 2.956 -1.946) 5.293 2.725 ( -3.156 5.693 5.330) 8.413 2.906 ( -1.980 3.841 -1.601) 4.608 3.211 ( -1.515 15.901 -3.444) 16.341 3.679 ( -0.651 -1.869 -4.857) 5.245 3.762 ( -0.700 0.215 4.878) 4.933 3.919 ( 1.429 4.416 6.160) 7.712 4.014 ( -2.564 1.952 -2.033) 3.810 4.200 ( -7.331 3.206 -4.765) 9.313 4.447 ( -1.221 -0.535 -0.610) 1.466 4.680 ( -0.921 4.337 3.235) 5.488 4.925 ( 3.517 7.784 0.036) 8.541 5.037 ( 3.999 12.009 3.084) 13.027 5.216 ( 1.658 -6.930 -0.498) 7.143 5.417 ( -3.029 3.036 -0.202) 4.294 5.628 ( -2.791 -4.475 0.605) 5.308 6.216 ( -3.369 10.153 -3.672) 11.309 6.357 ( -4.751 7.496 7.894) 11.877 6.704 ( 15.053 3.650 -3.956) 15.987 6.885 ( 5.118 -3.420 3.123) 6.903 7.083 ( 1.057 -2.097 2.148) 3.183 7.644 ( 1.067 -5.188 6.226) 8.174 8.079 ( 6.825 -13.144 9.531) 17.612 8.151 ( -1.879 -10.032 7.756) 12.819 8.745 ( 6.400 8.836 5.273) 12.118 9.079 ( 3.236 -1.362 5.049) 6.149 9.500 ( -9.005 3.599 -4.458) 10.674 9.872 ( -5.238 -1.790 -3.189) 6.388 10.764 ( -14.846 -12.496 -8.749) 21.287 11.929 ( 1.843 -9.787 1.403) 10.057 12.120 ( 1.054 -0.174 -6.483) 6.571 12.476 ( 1.630 -4.944 1.882) 5.536 12.667 ( 2.950 6.141 -7.841) 10.387 12.869 ( 0.678 3.452 5.767) 6.756 13.088 ( 4.779 -0.882 -5.547) 7.374 14.185 ( -10.906 25.947 -11.879) 30.550 16.101 ( 10.907 -5.801 -3.345) 12.799 20.022 ( -2.250 0.833 -2.622) 3.554 20.356 ( -0.713 -2.203 1.799) 2.932 20.727 ( -3.702 -0.126 5.101) 6.304 20.886 ( 1.384 -4.157 -0.390) 4.399 21.088 ( 1.443 6.434 -2.656) 7.109 21.605 ( -3.042 -1.204 0.656) 3.337 22.407 ( 11.620 3.730 -2.224) 12.405 22.760 ( -15.332 -3.203 12.175) 19.838 ======================= Grid point 91 (36/170) ======================= q-point: ( 0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 8.978 13.249 5.754) 17.007 1.257 ( 10.085 2.850 8.883) 13.738 1.616 ( 7.745 0.945 4.003) 8.769 1.727 ( -1.922 -1.892 2.709) 3.823 1.825 ( 10.831 3.281 5.312) 12.502 2.084 ( 6.090 1.773 6.568) 9.131 2.205 ( 0.843 0.151 3.238) 3.350 2.375 ( 6.355 -0.968 7.156) 9.619 2.557 ( 5.668 6.099 3.028) 8.860 2.611 ( 6.583 5.224 3.721) 9.191 2.707 ( -0.196 5.876 2.389) 6.347 2.940 ( 5.073 3.416 3.340) 6.968 3.230 ( 3.537 14.208 2.247) 14.814 3.601 ( -3.665 -4.932 -3.814) 7.232 3.751 ( -3.828 3.063 0.630) 4.943 3.877 ( -6.263 3.127 -1.670) 7.196 3.958 ( -4.444 5.941 5.663) 9.333 4.109 ( -2.794 3.319 -0.463) 4.364 4.423 ( -0.596 2.115 -0.734) 2.317 4.643 ( -4.917 6.810 0.140) 8.401 4.942 ( -0.141 4.782 2.478) 5.388 5.160 ( 3.725 6.289 1.535) 7.469 5.247 ( -0.816 -5.349 -2.174) 5.831 5.404 ( 1.288 4.458 0.284) 4.649 5.639 ( 5.014 -4.009 4.078) 7.606 6.027 ( -5.412 19.112 -6.812) 20.999 6.414 ( -0.191 4.791 4.887) 6.846 6.784 ( -5.949 -4.588 -3.314) 8.211 6.963 ( 11.282 0.248 -2.507) 11.560 7.254 ( 5.847 -1.012 10.415) 11.986 7.751 ( 3.333 -7.417 5.645) 9.898 8.089 ( -4.567 -13.797 2.871) 14.814 8.357 ( 8.566 -9.371 8.812) 15.455 8.908 ( 2.991 4.992 4.395) 7.293 9.084 ( -3.667 12.814 7.165) 15.132 9.323 ( -4.739 -2.115 -4.450) 6.836 9.729 ( -6.324 -0.874 -3.973) 7.520 10.376 ( -18.690 -9.535 -11.964) 24.153 11.990 ( 2.485 -10.026 3.689) 10.968 12.077 ( 1.836 -0.488 -8.500) 8.709 12.455 ( -2.535 -0.344 0.330) 2.579 12.694 ( 7.791 2.887 -8.778) 12.087 12.948 ( 2.632 1.926 2.843) 4.327 13.131 ( 4.432 2.003 -2.770) 5.597 13.981 ( -6.204 18.741 -2.083) 19.851 16.266 ( 11.817 -9.752 -5.040) 16.129 19.972 ( -1.522 0.725 -1.020) 1.971 20.365 ( -0.522 -2.915 2.534) 3.898 20.705 ( -3.680 0.063 3.743) 5.250 20.902 ( 0.951 -2.052 -0.406) 2.298 21.093 ( 1.859 6.044 -2.576) 6.828 21.557 ( -4.615 0.469 3.663) 5.910 22.530 ( 6.233 1.361 -5.982) 8.746 22.654 ( -8.902 -1.199 10.645) 13.929 ======================= Grid point 92 (37/170) ======================= q-point: ( 0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 4.960 9.700 0.997) 10.940 1.435 ( 3.753 -4.388 3.821) 6.924 1.678 ( -3.123 -1.038 -0.856) 3.400 1.781 ( 7.450 3.259 3.531) 8.865 2.030 ( 1.892 -0.544 5.134) 5.498 2.160 ( 0.145 0.116 1.955) 1.964 2.284 ( 5.431 2.851 0.769) 6.182 2.465 ( 2.250 1.828 -1.950) 3.493 2.582 ( -3.693 3.469 -0.466) 5.088 2.703 ( 5.236 2.753 7.461) 9.522 2.863 ( 6.612 5.914 2.945) 9.347 3.097 ( 7.444 0.798 6.528) 9.933 3.321 ( 0.885 15.692 5.513) 16.655 3.532 ( -0.647 -5.791 -0.615) 5.860 3.677 ( -4.576 4.223 1.178) 6.337 3.783 ( -4.561 3.353 0.065) 5.661 3.892 ( -7.185 5.960 0.656) 9.358 4.061 ( -1.260 7.296 -1.504) 7.556 4.414 ( 0.075 5.494 -0.898) 5.568 4.549 ( -5.514 5.472 1.979) 8.016 4.977 ( 2.247 4.443 0.916) 5.062 5.131 ( -5.237 -1.704 1.393) 5.680 5.269 ( 3.885 1.097 -1.018) 4.163 5.364 ( -3.300 2.614 -2.955) 5.143 5.763 ( 1.007 15.055 -1.654) 15.179 6.010 ( 7.255 1.783 0.964) 7.533 6.446 ( 1.313 5.601 2.586) 6.307 6.624 ( -7.065 -2.610 -3.787) 8.431 7.089 ( 4.433 -0.892 -0.887) 4.608 7.372 ( 2.912 -2.538 -2.228) 4.460 7.787 ( -2.557 -10.319 -5.021) 11.757 8.001 ( -1.908 -5.938 -7.200) 9.525 8.555 ( -2.718 -11.124 21.456) 24.321 8.871 ( -1.618 4.914 -1.719) 5.452 9.119 ( -4.272 2.786 3.598) 6.242 9.377 ( 11.352 3.320 4.882) 12.795 9.618 ( -3.620 3.298 -2.215) 5.375 9.953 ( -15.507 -10.256 -11.198) 21.704 12.015 ( 1.472 0.004 -9.465) 9.579 12.084 ( 2.340 -9.298 5.544) 11.076 12.426 ( -0.614 -0.461 -0.819) 1.123 12.762 ( 8.544 2.627 -6.710) 11.177 12.995 ( 0.869 2.126 0.893) 2.464 13.180 ( 2.139 5.341 0.694) 5.795 13.906 ( -2.812 13.542 1.086) 13.874 16.414 ( 8.456 -13.042 0.492) 15.551 19.956 ( -0.420 0.842 1.392) 1.680 20.381 ( -0.854 -3.394 3.177) 4.726 20.673 ( -3.186 0.381 2.294) 3.944 20.914 ( 0.646 -0.634 0.173) 0.922 21.103 ( 2.282 6.855 -2.834) 7.761 21.519 ( -4.999 1.170 5.791) 7.739 22.474 ( -0.388 1.457 -13.308) 13.393 22.675 ( -1.796 -2.871 9.758) 10.329 ======================= Grid point 93 (38/170) ======================= q-point: (-0.50 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( -0.231 5.427 -0.155) 5.435 1.468 ( -2.397 -3.800 0.850) 4.573 1.624 ( -1.910 -2.815 0.166) 3.406 1.851 ( -4.966 2.874 -1.077) 5.838 1.996 ( -3.154 6.990 0.388) 7.679 2.152 ( -4.436 -1.572 -0.739) 4.764 2.304 ( -3.965 3.726 -2.143) 5.848 2.409 ( -0.894 -0.422 -2.877) 3.042 2.589 ( 1.350 4.335 -1.655) 4.833 2.823 ( -2.415 0.097 10.630) 10.901 2.958 ( 1.471 5.990 4.818) 7.827 3.213 ( -3.076 1.753 4.702) 5.886 3.380 ( 0.183 11.998 7.241) 14.015 3.557 ( 1.286 -3.349 2.840) 4.576 3.590 ( -4.919 2.946 -2.982) 6.463 3.715 ( -4.207 4.826 -0.635) 6.434 3.781 ( 0.329 6.260 -1.865) 6.540 4.069 ( 3.780 10.379 -1.301) 11.123 4.402 ( 0.971 7.355 -2.703) 7.896 4.534 ( -0.847 2.823 5.441) 6.188 4.989 ( -4.204 4.216 -0.510) 5.976 5.104 ( 2.173 0.123 1.629) 2.719 5.282 ( -1.396 0.518 -3.415) 3.725 5.313 ( 2.590 3.569 -1.436) 4.637 5.714 ( -0.197 18.610 -4.978) 19.265 6.094 ( -1.801 -4.536 1.478) 5.100 6.474 ( -3.345 -0.628 -5.725) 6.660 6.558 ( 5.105 6.519 5.007) 9.676 7.080 ( -4.072 -3.579 -7.356) 9.138 7.315 ( -3.198 0.502 -10.120) 10.625 7.591 ( 0.259 -11.273 -16.895) 20.312 7.957 ( -1.020 -3.040 -0.611) 3.264 8.595 ( -12.289 -13.926 15.016) 23.884 8.850 ( 1.258 5.638 -4.777) 7.496 9.130 ( -2.137 2.120 5.646) 6.398 9.389 ( -8.161 -3.037 -5.609) 10.358 9.624 ( 4.226 3.284 3.478) 6.383 9.898 ( 14.419 -8.325 2.738) 16.873 11.946 ( -0.012 -0.818 -7.408) 7.453 12.171 ( 1.856 -6.249 4.585) 7.970 12.416 ( 0.434 -0.859 -1.187) 1.529 12.854 ( 6.787 2.344 -2.690) 7.668 12.999 ( -0.119 2.500 -0.878) 2.653 13.210 ( -0.410 7.810 2.515) 8.215 13.892 ( -0.700 11.924 2.035) 12.117 16.575 ( 5.927 -16.962 8.296) 19.791 19.982 ( 0.638 0.935 3.720) 3.888 20.390 ( -1.559 -3.350 3.191) 4.882 20.644 ( -2.107 0.260 1.545) 2.626 20.929 ( 0.458 0.062 0.958) 1.063 21.121 ( 2.817 9.018 -2.600) 9.799 21.487 ( -4.817 0.943 5.323) 7.241 22.311 ( -2.701 3.322 -16.251) 16.805 22.738 ( 0.759 -5.743 5.995) 8.336 ======================= Grid point 94 (39/170) ======================= q-point: (-0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( -9.516 2.046 -0.310) 9.738 1.350 ( -13.430 -0.558 -0.019) 13.441 1.607 ( -11.223 -1.329 -4.565) 12.189 1.638 ( -1.220 2.065 -0.792) 2.526 1.909 ( -6.175 8.066 -4.737) 11.208 2.040 ( -6.453 6.329 0.556) 9.056 2.228 ( -4.235 0.775 1.216) 4.474 2.323 ( -7.582 0.061 -2.344) 7.937 2.557 ( -1.702 6.917 -3.115) 7.775 2.799 ( -9.935 0.160 6.208) 11.716 2.881 ( -16.795 5.315 6.087) 18.638 3.158 ( -8.309 8.342 5.845) 13.145 3.368 ( -4.730 4.773 3.701) 7.671 3.514 ( 2.888 2.449 -3.547) 5.188 3.639 ( 5.415 0.559 -2.943) 6.189 3.719 ( 3.686 1.950 -1.310) 4.371 3.893 ( 9.555 3.711 7.977) 12.988 4.132 ( 2.530 8.314 1.176) 8.770 4.413 ( 3.045 8.364 -2.747) 9.315 4.580 ( 1.713 3.972 2.155) 4.833 4.842 ( -8.311 5.562 -4.560) 10.992 5.150 ( 2.969 5.804 -3.259) 7.288 5.261 ( 1.511 -1.524 -4.481) 4.969 5.389 ( 4.211 3.307 7.642) 9.331 5.700 ( 1.091 10.855 -0.562) 10.924 6.015 ( -5.720 1.168 0.281) 5.845 6.362 ( -1.190 -0.189 -9.071) 9.150 6.664 ( -1.277 2.552 -2.711) 3.935 6.808 ( -7.196 -2.079 -18.522) 19.979 7.106 ( -3.357 1.312 -11.777) 12.316 7.647 ( 8.216 -11.747 2.973) 14.640 7.925 ( -1.339 -4.734 -0.422) 4.938 8.425 ( -16.291 -13.005 0.655) 20.856 8.805 ( 0.798 11.856 -10.040) 15.556 9.016 ( -6.497 3.824 3.012) 8.119 9.418 ( 2.681 -12.579 7.125) 14.704 9.723 ( 5.058 -5.490 2.288) 7.807 10.252 ( 20.514 -4.197 3.431) 21.219 11.895 ( 0.323 -0.001 -3.613) 3.628 12.218 ( 0.130 -3.702 1.582) 4.028 12.412 ( -0.185 -0.447 -0.973) 1.087 12.909 ( -1.183 6.044 1.813) 6.420 12.997 ( 3.225 -2.391 -3.506) 5.330 13.207 ( -2.608 9.287 2.352) 9.929 13.919 ( 2.290 14.445 1.376) 14.690 16.767 ( 3.094 -23.422 16.098) 28.589 20.039 ( 1.122 0.928 4.823) 5.038 20.389 ( -1.682 -2.801 2.932) 4.389 20.632 ( -1.018 -0.416 1.774) 2.087 20.945 ( -0.033 -0.070 1.696) 1.697 21.158 ( 3.688 12.332 -1.097) 12.918 21.446 ( -3.503 0.458 0.692) 3.600 22.094 ( -4.119 7.046 -17.448) 19.263 22.816 ( 2.202 -9.069 5.774) 10.974 ======================= Grid point 95 (40/170) ======================= q-point: (-0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( -18.444 3.724 -0.279) 18.819 1.011 ( -20.439 9.010 -0.040) 22.337 1.384 ( -11.993 -0.061 2.826) 12.322 1.643 ( -4.175 8.454 2.893) 9.863 1.775 ( -1.589 2.706 -6.647) 7.351 1.932 ( -9.102 7.690 4.200) 12.634 2.098 ( -12.881 6.762 -1.220) 14.599 2.170 ( -6.829 0.413 0.579) 6.866 2.497 ( -6.948 12.184 -1.672) 14.126 2.564 ( -12.145 2.038 3.474) 12.795 2.701 ( -9.651 -0.299 3.625) 10.313 3.085 ( -4.942 10.104 4.953) 12.290 3.327 ( -3.930 3.083 4.421) 6.670 3.544 ( 4.854 3.539 -7.175) 9.358 3.650 ( 1.987 0.925 -4.809) 5.285 3.845 ( 8.024 -1.661 2.637) 8.608 4.077 ( -1.217 3.182 0.723) 3.483 4.208 ( 7.423 3.486 6.434) 10.424 4.441 ( 2.815 5.639 -1.939) 6.594 4.631 ( 1.721 6.422 0.640) 6.679 4.710 ( -0.168 10.683 -3.241) 11.165 5.186 ( 2.975 4.181 -1.262) 5.285 5.235 ( 0.388 1.645 -0.961) 1.944 5.529 ( 1.012 1.156 9.637) 9.759 5.691 ( -3.866 2.693 2.570) 5.367 5.969 ( 3.666 9.403 -10.157) 14.319 6.276 ( 0.440 0.768 -8.146) 8.194 6.408 ( -7.080 1.557 -12.976) 14.864 6.607 ( -5.120 -1.342 -11.862) 12.989 7.107 ( 7.536 -0.651 -2.166) 7.868 7.759 ( -1.461 -8.828 5.679) 10.598 7.973 ( 5.423 -11.213 2.505) 12.705 8.116 ( -14.313 -5.173 -2.072) 15.359 8.709 ( -5.005 8.209 -2.534) 9.943 9.013 ( 0.504 1.260 -0.797) 1.574 9.470 ( -0.082 -15.146 1.118) 15.187 9.836 ( 4.779 -7.136 2.621) 8.980 10.618 ( 19.005 -5.088 1.872) 19.763 11.900 ( 2.075 2.173 0.331) 3.023 12.206 ( -1.362 -1.517 -1.576) 2.577 12.372 ( -3.114 0.995 -2.273) 3.982 12.862 ( -4.500 4.127 0.384) 6.118 13.025 ( 1.275 -1.545 -0.758) 2.142 13.165 ( -4.148 7.266 1.149) 8.445 14.014 ( 9.935 21.952 -1.613) 24.150 16.940 ( -3.985 -36.097 19.270) 41.112 20.098 ( 0.904 0.920 3.856) 4.066 20.388 ( -1.536 -2.437 2.548) 3.846 20.644 ( -0.018 -0.949 3.034) 3.179 20.952 ( -1.514 -1.737 2.051) 3.084 21.227 ( 2.304 11.889 2.354) 12.337 21.383 ( 3.000 6.175 -10.088) 12.203 21.888 ( -3.012 12.879 -11.418) 17.473 22.918 ( 1.762 -13.497 8.978) 16.306 ======================= Grid point 96 (41/170) ======================= q-point: (-0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( -12.227 10.070 14.137) 21.231 0.790 ( -10.477 20.369 8.437) 24.410 1.202 ( -17.271 13.491 11.038) 24.538 1.576 ( -3.931 6.604 0.174) 7.688 1.676 ( -6.155 6.718 0.712) 9.139 1.811 ( -8.082 6.801 5.061) 11.713 1.947 ( -3.172 3.359 1.318) 4.804 2.063 ( -6.766 0.094 3.818) 7.769 2.293 ( -9.334 3.887 1.918) 10.291 2.542 ( -2.096 3.936 -0.041) 4.459 2.640 ( 0.428 5.365 4.024) 6.720 3.061 ( -3.246 4.214 1.539) 5.537 3.384 ( 8.720 11.645 2.257) 14.722 3.534 ( 2.476 3.212 -8.134) 9.089 3.660 ( 1.496 2.324 0.915) 2.912 3.955 ( -2.622 0.291 -5.390) 6.001 3.987 ( 3.019 -1.115 -2.016) 3.798 4.361 ( 3.781 3.881 1.229) 5.556 4.475 ( 1.498 -0.233 -0.258) 1.538 4.643 ( -3.561 5.440 7.198) 9.700 4.748 ( 5.687 11.289 -4.912) 13.562 5.136 ( -5.244 5.451 -0.138) 7.565 5.366 ( 7.240 1.093 6.294) 9.655 5.555 ( -6.645 0.087 -3.326) 7.432 5.658 ( -2.862 0.516 3.154) 4.290 5.870 ( 9.221 12.078 -13.072) 20.045 6.231 ( 2.088 4.019 -0.037) 4.529 6.376 ( 5.326 9.171 -1.130) 10.665 6.492 ( 2.528 -2.242 -3.420) 4.808 7.219 ( 5.929 -4.124 -1.888) 7.465 7.733 ( -1.537 -7.737 -4.528) 9.095 7.879 ( -6.623 -2.735 1.570) 7.335 8.208 ( 7.372 -9.131 9.374) 15.020 8.585 ( -11.629 -5.234 6.521) 14.323 8.876 ( -14.703 -5.630 2.279) 15.908 9.538 ( 10.141 -2.140 -4.089) 11.142 9.910 ( 0.668 -3.236 3.059) 4.503 10.909 ( 12.147 -10.073 1.588) 15.860 11.953 ( 1.927 1.294 -0.069) 2.322 12.160 ( -0.288 3.516 -1.543) 3.851 12.277 ( -3.652 1.688 -3.299) 5.203 12.784 ( -4.065 1.920 -0.436) 4.516 13.002 ( -6.572 3.681 3.941) 8.501 13.102 ( -1.429 -0.485 -2.911) 3.279 14.255 ( 24.901 29.779 -11.679) 40.537 16.816 ( -30.689 -46.961 5.977) 56.416 20.129 ( -0.161 0.571 0.542) 0.803 20.373 ( -2.275 -1.546 1.286) 3.036 20.690 ( 0.837 -1.218 5.153) 5.361 20.917 ( -4.254 -4.894 0.775) 6.531 21.165 ( -2.471 6.584 -7.956) 10.619 21.512 ( 14.823 10.281 -2.966) 18.282 21.852 ( 8.184 21.898 -0.498) 23.382 23.020 ( -3.606 -20.756 13.487) 25.014 ======================= Grid point 97 (42/170) ======================= q-point: ( 0.00 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( -0.311 8.207 15.643) 17.668 1.016 ( -6.490 9.334 9.524) 14.831 1.407 ( 1.060 1.102 1.595) 2.210 1.703 ( 1.671 4.588 3.860) 6.224 1.782 ( 2.064 12.166 -2.107) 12.518 1.943 ( -0.471 0.706 2.309) 2.461 2.052 ( -2.453 2.916 9.274) 10.026 2.167 ( -0.721 13.922 4.287) 14.585 2.331 ( -0.158 11.892 7.887) 14.271 2.538 ( -1.604 0.746 2.476) 3.043 2.884 ( 1.898 7.849 -0.103) 8.076 2.995 ( -6.085 0.667 4.167) 7.405 3.548 ( -1.237 4.538 -2.963) 5.559 3.638 ( 5.502 0.382 2.042) 5.882 3.784 ( -0.579 2.663 -3.169) 4.180 3.916 ( 1.466 5.011 1.889) 5.552 4.093 ( 0.665 5.673 0.814) 5.769 4.377 ( -2.112 -1.443 -1.266) 2.854 4.515 ( 0.014 1.995 -3.501) 4.030 4.712 ( -5.932 4.017 3.044) 7.784 5.060 ( 7.712 11.524 -9.391) 16.748 5.233 ( -6.218 4.653 -7.526) 10.815 5.396 ( -0.506 7.013 -1.490) 7.187 5.476 ( 0.024 4.107 2.506) 4.811 5.647 ( -3.868 5.491 4.313) 7.982 6.068 ( 9.121 -2.429 6.218) 11.303 6.381 ( 5.542 -2.404 13.231) 14.545 6.497 ( 6.064 -3.233 10.142) 12.250 6.830 ( 8.273 8.213 -5.898) 13.065 7.067 ( -2.332 -7.457 0.958) 7.872 7.612 ( -9.216 -3.542 -4.681) 10.926 7.745 ( 5.455 -2.022 3.660) 6.874 7.981 ( -6.384 -7.989 3.961) 10.967 8.461 ( 7.331 -12.011 18.470) 23.220 8.983 ( 4.284 9.959 0.297) 10.845 9.619 ( -0.169 -4.025 -4.311) 5.900 9.907 ( -1.257 0.427 6.548) 6.681 10.688 ( -2.014 -13.819 -5.164) 14.889 11.952 ( -2.391 5.929 -7.717) 10.021 12.189 ( 0.812 3.070 -5.611) 6.448 12.371 ( 3.002 2.262 0.706) 3.825 12.783 ( 1.766 -0.975 -5.750) 6.093 12.992 ( -6.874 4.311 2.596) 8.519 13.070 ( 1.966 3.077 -1.694) 4.025 14.799 ( 2.840 11.741 -14.412) 18.804 15.933 ( -7.907 -11.123 2.233) 13.828 20.107 ( -2.232 0.905 -2.299) 3.330 20.316 ( -1.983 -2.700 0.877) 3.463 20.716 ( 0.586 -1.548 3.461) 3.836 20.770 ( -3.114 -3.280 3.853) 5.942 21.234 ( 0.447 5.356 -4.014) 6.708 21.565 ( 1.372 -3.809 -1.714) 4.397 22.375 ( 7.927 8.312 -0.037) 11.486 22.743 ( -4.659 -5.796 8.664) 11.418 ======================= Grid point 98 (43/170) ======================= q-point: ( 0.12 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 3.250 5.031 9.196) 10.975 1.181 ( 4.372 4.041 11.892) 13.299 1.462 ( 3.759 0.951 2.205) 4.461 1.772 ( 0.860 6.032 4.516) 7.584 1.838 ( 5.118 10.967 -0.273) 12.105 1.956 ( 1.285 -0.341 1.525) 2.023 2.151 ( 3.638 2.281 11.036) 11.842 2.270 ( 3.931 8.164 6.511) 11.158 2.480 ( 8.185 5.309 4.824) 10.884 2.560 ( 3.412 3.637 1.106) 5.108 2.880 ( -2.076 7.370 0.210) 7.660 2.965 ( -1.324 3.561 4.160) 5.634 3.511 ( 1.099 11.634 -2.527) 11.956 3.648 ( -2.001 0.001 -6.596) 6.893 3.784 ( 0.247 1.962 6.263) 6.568 4.015 ( 1.182 4.428 9.959) 10.963 4.071 ( -2.485 3.127 -3.046) 5.023 4.280 ( -5.268 3.390 -3.658) 7.254 4.498 ( 1.258 4.497 -1.534) 4.916 4.695 ( 0.865 -1.377 2.122) 2.674 5.012 ( -2.450 1.082 -5.608) 6.215 5.189 ( 5.073 8.408 -3.640) 10.473 5.385 ( -0.625 11.526 -0.140) 11.544 5.497 ( 1.320 4.093 2.184) 4.824 5.613 ( -3.652 7.079 1.015) 8.030 6.285 ( 8.162 -1.316 6.327) 10.411 6.554 ( -1.487 6.791 10.200) 12.343 6.689 ( 4.361 -3.049 4.575) 7.017 6.885 ( 2.139 3.117 1.250) 3.981 7.062 ( 4.471 0.227 0.340) 4.490 7.476 ( -2.672 -8.786 4.762) 10.345 7.869 ( -0.241 -7.391 1.527) 7.551 7.993 ( 3.128 -5.339 11.605) 13.152 8.707 ( 6.371 -11.767 8.740) 15.982 9.148 ( 10.028 6.396 4.509) 12.720 9.501 ( -8.479 -3.635 -5.162) 10.571 9.841 ( -12.574 0.450 6.756) 14.281 10.509 ( -10.406 -11.191 -8.954) 17.711 11.858 ( -0.692 3.276 -5.070) 6.076 12.158 ( 1.833 4.037 -6.709) 8.042 12.422 ( 2.605 -1.894 -1.146) 3.418 12.754 ( 3.559 -0.587 -11.341) 11.901 12.936 ( -1.042 3.030 2.476) 4.050 13.134 ( 5.282 4.955 0.189) 7.245 14.595 ( -9.142 16.613 -10.811) 21.828 15.934 ( 4.766 -10.476 -1.156) 11.567 20.042 ( -2.362 1.192 -2.472) 3.621 20.294 ( -1.130 -3.749 0.456) 3.942 20.722 ( -3.429 -0.430 5.040) 6.111 20.797 ( 2.103 -3.736 1.375) 4.503 21.218 ( 1.993 5.590 -4.095) 7.210 21.563 ( -0.135 -3.027 -0.651) 3.099 22.498 ( 4.539 4.750 3.085) 7.258 22.710 ( -7.154 -1.559 6.824) 10.009 ======================= Grid point 99 (44/170) ======================= q-point: ( 0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 5.519 -1.489 8.537) 10.274 1.325 ( 6.999 4.967 3.244) 9.175 1.538 ( 0.094 0.665 2.351) 2.445 1.840 ( 1.941 6.016 5.978) 8.700 1.941 ( 7.567 3.154 1.233) 8.290 2.021 ( 3.662 -0.227 1.516) 3.970 2.309 ( 3.783 5.399 5.044) 8.300 2.391 ( 2.452 3.407 9.689) 10.560 2.627 ( 5.948 -0.957 1.462) 6.200 2.686 ( 7.154 3.069 0.403) 7.795 2.846 ( 0.877 6.180 -0.306) 6.249 3.025 ( 3.144 5.156 2.997) 6.742 3.502 ( -3.016 1.017 -3.011) 4.382 3.597 ( 3.571 14.200 0.103) 14.642 3.824 ( -0.956 3.679 3.282) 5.021 3.962 ( -6.642 5.239 1.140) 8.537 4.099 ( -3.116 6.192 8.151) 10.700 4.192 ( -0.581 4.879 -3.065) 5.791 4.518 ( 1.425 5.519 0.182) 5.703 4.724 ( 0.029 1.219 -0.612) 1.365 4.968 ( 1.215 -0.529 -1.913) 2.327 5.193 ( -1.484 4.755 -2.335) 5.502 5.373 ( -0.607 8.014 -0.969) 8.095 5.517 ( -3.300 1.993 -1.502) 4.137 5.655 ( 10.057 9.441 5.042) 14.687 6.396 ( 0.338 7.893 -0.527) 7.918 6.518 ( -5.567 9.275 2.826) 11.180 6.707 ( -1.987 -0.163 -2.213) 2.979 6.960 ( 5.932 0.213 1.330) 6.083 7.233 ( 5.812 -0.647 7.427) 9.453 7.541 ( 2.275 -10.673 3.760) 11.542 7.850 ( -1.973 -9.735 4.606) 10.949 8.201 ( 5.049 -6.074 13.252) 15.428 8.866 ( 6.401 -9.263 2.908) 11.629 9.234 ( -13.630 -3.700 -2.637) 14.367 9.351 ( 6.011 7.662 2.475) 10.048 9.669 ( -12.414 -2.876 5.168) 13.750 10.201 ( -14.464 -6.216 -10.728) 19.051 11.851 ( 2.527 -1.131 -0.034) 2.769 12.115 ( 0.669 3.708 -7.758) 8.625 12.434 ( 0.695 -1.783 -1.860) 2.669 12.725 ( 6.733 -1.249 -13.119) 14.799 12.979 ( 3.082 1.520 1.367) 3.698 13.232 ( 4.176 5.593 2.640) 7.463 14.379 ( -7.078 20.321 -4.750) 22.036 16.011 ( 5.232 -14.583 -1.558) 15.571 19.993 ( -1.410 1.384 -0.934) 2.185 20.287 ( -0.603 -4.510 1.239) 4.716 20.705 ( -3.541 0.032 4.258) 5.538 20.843 ( 2.136 -3.330 0.492) 3.987 21.225 ( 3.271 5.988 -4.295) 8.063 21.552 ( -1.637 -1.336 1.665) 2.690 22.574 ( 1.744 2.766 0.277) 3.282 22.639 ( -6.774 0.047 5.376) 8.648 ======================= Grid point 100 (45/170) ======================= q-point: ( 0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( 2.372 -3.662 -0.359) 4.378 1.454 ( -0.383 11.413 2.348) 11.658 1.562 ( 3.407 -5.606 4.517) 7.965 1.884 ( -2.498 1.329 3.930) 4.843 2.064 ( 3.597 5.676 0.213) 6.723 2.156 ( 9.388 -2.022 3.553) 10.239 2.354 ( -3.324 3.030 5.613) 7.193 2.483 ( -1.271 0.755 0.078) 1.481 2.678 ( 2.499 3.907 -2.041) 5.067 2.770 ( 2.322 3.486 5.422) 6.852 2.965 ( 8.758 2.940 -0.291) 9.243 3.102 ( 3.442 0.619 3.188) 4.732 3.426 ( -1.376 -1.981 -2.200) 3.264 3.631 ( -2.775 8.843 1.501) 9.388 3.864 ( -1.264 13.873 5.323) 14.912 3.907 ( -0.066 9.064 3.245) 9.627 4.037 ( -6.955 7.498 0.402) 10.235 4.209 ( 2.105 6.350 0.546) 6.712 4.546 ( 1.510 5.480 0.685) 5.725 4.666 ( -4.197 6.947 -2.434) 8.473 4.999 ( 3.365 -0.128 -0.249) 3.377 5.151 ( -1.305 3.504 -0.670) 3.799 5.354 ( -0.182 5.704 -0.998) 5.794 5.439 ( -3.745 3.040 -1.008) 4.928 5.907 ( 12.131 2.187 3.037) 12.695 6.298 ( -6.221 20.227 -5.671) 21.909 6.473 ( -0.983 -2.831 -1.486) 3.345 6.677 ( -0.974 8.445 2.555) 8.877 7.031 ( 0.115 -5.343 0.909) 5.421 7.311 ( 3.751 -2.397 -6.774) 8.106 7.532 ( -3.521 -9.575 -6.016) 11.843 7.917 ( 4.034 -5.981 3.069) 7.840 8.347 ( -6.137 -7.555 17.444) 19.976 8.895 ( -5.542 -2.022 -2.072) 6.253 9.082 ( 2.219 -7.815 1.796) 8.320 9.478 ( 4.626 -0.320 -1.080) 4.761 9.530 ( -7.044 -4.750 3.078) 9.037 9.871 ( -11.623 2.834 -6.623) 13.674 11.926 ( 3.420 -3.528 3.203) 5.866 12.051 ( 0.434 2.826 -6.534) 7.132 12.424 ( 0.731 -0.128 -2.409) 2.520 12.744 ( 8.412 -3.763 -11.412) 14.668 13.045 ( 2.604 2.685 1.716) 4.115 13.315 ( 1.505 5.301 4.694) 7.238 14.268 ( -3.031 21.648 -0.977) 21.881 16.084 ( 3.612 -18.203 1.349) 18.606 19.980 ( -0.274 1.587 1.454) 2.170 20.295 ( -0.551 -4.774 2.370) 5.359 20.679 ( -3.226 0.309 2.691) 4.213 20.878 ( 1.341 -2.923 0.710) 3.294 21.253 ( 4.531 6.698 -4.167) 9.097 21.537 ( -3.277 0.154 4.124) 5.270 22.520 ( -2.364 2.829 -6.942) 7.860 22.622 ( -2.549 -1.633 4.587) 5.496 ======================= Grid point 101 (46/170) ======================= q-point: (-0.50 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( -2.416 -0.413 -3.567) 4.328 1.468 ( -0.331 4.368 3.758) 5.771 1.622 ( -2.168 2.285 3.057) 4.389 1.837 ( -5.192 -3.309 0.362) 6.167 2.118 ( 0.386 5.802 0.439) 5.831 2.232 ( -7.160 5.599 -2.020) 9.311 2.279 ( -2.195 -4.491 1.806) 5.315 2.439 ( -2.018 1.948 -0.624) 2.873 2.694 ( 1.414 4.798 -1.933) 5.362 2.834 ( -1.818 0.755 6.010) 6.324 3.075 ( 1.294 4.029 2.861) 5.108 3.184 ( 0.879 -2.762 4.282) 5.171 3.425 ( 1.580 -0.468 0.288) 1.673 3.619 ( 0.936 3.680 1.904) 4.248 3.817 ( -4.211 12.683 -0.390) 13.370 3.881 ( -5.793 10.764 -1.976) 12.383 3.980 ( -2.193 14.149 3.921) 14.845 4.253 ( 1.642 6.693 1.842) 7.133 4.564 ( -1.101 2.498 0.099) 2.731 4.629 ( 4.545 11.970 -0.939) 12.838 5.045 ( -0.897 1.763 -1.598) 2.543 5.146 ( 2.760 4.058 2.912) 5.707 5.321 ( -2.426 4.085 -3.483) 5.890 5.419 ( 2.287 4.059 1.630) 4.935 6.007 ( -4.440 0.029 -2.303) 5.002 6.192 ( 2.944 20.544 -4.582) 21.253 6.421 ( -2.201 -1.863 -4.210) 5.103 6.730 ( 2.272 8.881 5.003) 10.443 6.983 ( -5.017 -7.061 -4.634) 9.824 7.261 ( 2.877 -9.981 -15.206) 18.415 7.344 ( -5.205 -2.990 -11.880) 13.311 7.960 ( 0.921 -0.668 -5.412) 5.531 8.299 ( -16.303 -11.306 18.206) 26.927 8.869 ( 4.413 -5.258 0.280) 6.870 9.177 ( 2.201 1.230 5.442) 5.997 9.253 ( -11.390 -11.827 -13.260) 21.105 9.583 ( -0.033 -1.119 1.343) 1.748 9.852 ( 10.307 1.430 4.339) 11.274 11.949 ( -1.648 1.326 0.104) 2.118 12.082 ( 5.490 -1.149 0.311) 5.618 12.418 ( 1.576 0.538 -3.256) 3.657 12.798 ( 7.822 -5.756 -7.268) 12.130 13.084 ( -0.261 4.488 1.881) 4.874 13.365 ( -1.553 4.941 6.018) 7.940 14.252 ( 1.133 22.632 0.794) 22.674 16.164 ( 2.114 -21.668 5.442) 22.441 20.008 ( 0.593 1.649 3.775) 4.162 20.309 ( -0.793 -4.306 3.236) 5.445 20.648 ( -2.428 0.310 1.373) 2.807 20.901 ( 0.192 -3.022 1.433) 3.349 21.304 ( 5.569 7.472 -3.497) 9.954 21.511 ( -4.700 1.095 4.707) 6.742 22.403 ( -2.165 5.089 -9.934) 11.369 22.614 ( -0.730 -5.181 0.444) 5.251 ======================= Grid point 102 (47/170) ======================= q-point: (-0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( -6.620 2.757 -1.524) 7.331 1.434 ( -7.972 6.720 1.062) 10.480 1.575 ( -7.575 0.410 2.276) 7.920 1.707 ( -3.613 2.582 -5.412) 7.001 2.001 ( -6.881 -0.705 -1.306) 7.040 2.143 ( -5.673 3.330 0.625) 6.608 2.289 ( -2.974 1.763 2.155) 4.074 2.323 ( -5.658 5.037 -1.934) 7.818 2.716 ( -0.036 3.613 1.272) 3.830 2.808 ( -5.634 2.810 1.929) 6.584 2.989 ( -13.205 2.995 3.805) 14.065 3.201 ( -5.294 -0.311 5.278) 7.481 3.459 ( 1.414 2.858 -0.007) 3.189 3.617 ( 1.988 6.018 -7.969) 10.182 3.736 ( -1.118 5.646 -5.945) 8.275 3.855 ( -1.371 11.564 7.900) 14.072 4.024 ( 4.558 9.035 6.625) 12.096 4.277 ( -1.117 5.924 1.616) 6.242 4.552 ( -1.473 2.521 1.505) 3.285 4.735 ( 6.659 12.302 -0.924) 14.019 4.970 ( -1.789 3.848 -3.940) 5.791 5.199 ( -1.621 3.492 -5.651) 6.838 5.298 ( 3.360 5.610 5.173) 8.338 5.516 ( 5.287 6.084 3.872) 8.942 5.844 ( -10.295 4.451 1.307) 11.292 6.197 ( 1.736 7.269 -9.417) 12.022 6.368 ( 2.073 6.650 -4.422) 8.250 6.720 ( -7.154 2.886 -13.844) 15.848 6.764 ( -5.594 -2.350 -7.545) 9.682 7.111 ( -2.773 -1.305 -9.315) 9.806 7.347 ( 9.177 -13.831 0.578) 16.609 7.868 ( -3.889 -2.639 -6.327) 7.882 8.165 ( -15.176 -10.343 10.845) 21.328 8.902 ( -9.742 -13.814 -11.227) 20.292 9.032 ( 9.770 3.502 0.510) 10.391 9.271 ( 0.393 3.566 2.853) 4.584 9.587 ( 0.358 -6.222 2.817) 6.839 10.140 ( 17.080 -6.857 2.921) 18.635 11.944 ( -0.031 4.874 2.855) 5.649 12.166 ( 3.933 -0.683 -0.852) 4.082 12.416 ( 1.708 0.484 -3.621) 4.033 12.867 ( 5.624 -6.753 -3.459) 9.444 13.066 ( -3.401 6.044 0.975) 7.003 13.364 ( -5.259 4.599 6.164) 9.317 14.323 ( 6.390 23.490 0.841) 24.358 16.246 ( -0.651 -25.327 8.693) 26.786 20.062 ( 0.876 1.491 4.898) 5.194 20.327 ( -0.892 -3.246 3.689) 4.994 20.626 ( -1.338 -0.004 1.020) 1.682 20.907 ( -1.520 -3.784 2.153) 4.612 21.375 ( 5.075 7.457 -1.784) 9.195 21.462 ( -3.997 1.244 1.471) 4.437 22.275 ( -1.252 9.217 -10.579) 14.086 22.618 ( 1.600 -8.604 -0.662) 8.776 ======================= Grid point 103 (48/170) ======================= q-point: (-0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( -12.086 6.702 -0.323) 13.824 1.239 ( -11.502 10.628 0.134) 15.660 1.441 ( -6.634 5.161 2.718) 8.834 1.709 ( 3.441 0.916 -1.105) 3.728 1.875 ( -7.890 3.409 -1.330) 8.697 2.036 ( -6.678 -0.626 0.279) 6.713 2.127 ( -8.632 5.223 0.459) 10.100 2.324 ( -3.514 6.848 3.844) 8.604 2.620 ( -12.203 -0.227 0.707) 12.226 2.723 ( -12.137 6.578 2.609) 14.049 2.784 ( -4.174 12.012 1.178) 12.771 3.150 ( -6.209 -0.284 6.038) 8.665 3.447 ( 0.872 5.983 -3.009) 6.753 3.628 ( 5.487 5.184 -5.526) 9.355 3.676 ( 1.023 1.522 -5.190) 5.505 3.926 ( 0.880 7.894 7.086) 10.644 4.147 ( -1.903 3.539 1.826) 4.414 4.291 ( 4.736 4.071 2.751) 6.824 4.534 ( -1.516 3.322 0.847) 3.748 4.783 ( -1.084 7.253 2.183) 7.652 4.976 ( 6.343 9.111 -5.737) 12.496 5.133 ( 1.822 3.236 -3.249) 4.935 5.395 ( 2.266 8.081 3.741) 9.189 5.622 ( 0.407 6.729 5.811) 8.900 5.727 ( -7.064 3.105 5.522) 9.488 6.070 ( -1.954 -2.080 -17.096) 17.333 6.324 ( -4.020 2.018 -7.159) 8.455 6.552 ( -5.394 1.099 -5.982) 8.130 6.575 ( 4.629 10.238 -9.610) 14.785 7.056 ( 1.827 -4.444 -3.371) 5.869 7.548 ( 5.765 -10.514 9.359) 15.211 7.746 ( -2.030 -9.018 -5.901) 10.967 8.022 ( -8.862 -4.175 6.562) 11.791 8.622 ( -13.032 -13.993 -7.056) 20.382 9.147 ( -3.127 4.815 -4.622) 7.370 9.334 ( 12.625 6.925 1.571) 14.485 9.671 ( 3.866 -9.559 5.692) 11.778 10.443 ( 15.774 -11.022 0.550) 19.251 11.994 ( 1.760 6.644 3.631) 7.773 12.199 ( 2.465 1.394 -3.001) 4.126 12.399 ( 0.119 0.963 -4.173) 4.284 12.903 ( -0.271 -4.726 -1.446) 4.949 13.008 ( -1.734 4.905 -0.911) 5.282 13.294 ( -9.024 4.259 5.265) 11.282 14.487 ( 12.965 22.671 -1.307) 26.149 16.270 ( -6.987 -27.946 8.692) 30.089 20.117 ( 0.561 1.164 3.828) 4.041 20.343 ( -1.245 -2.261 3.452) 4.310 20.627 ( -0.017 -0.518 1.996) 2.062 20.882 ( -4.014 -4.781 2.468) 6.713 21.361 ( -4.087 3.969 -1.374) 5.860 21.480 ( 5.699 2.249 -2.430) 6.591 22.197 ( 2.791 13.730 -7.586) 15.932 22.656 ( 2.041 -10.274 1.802) 10.628 ======================= Grid point 104 (49/170) ======================= q-point: (-0.12 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( -6.758 10.593 9.540) 15.777 1.109 ( -9.541 11.081 7.157) 16.280 1.393 ( -2.509 5.127 3.448) 6.669 1.708 ( -2.125 2.425 -4.198) 5.293 1.781 ( -0.452 5.140 1.173) 5.292 1.947 ( -3.236 5.531 1.566) 6.596 2.037 ( -5.736 2.525 5.592) 8.399 2.249 ( -8.473 11.859 3.818) 15.067 2.388 ( -13.656 9.920 3.657) 17.270 2.568 ( -6.171 1.751 3.781) 7.446 2.825 ( 4.262 8.677 0.010) 9.667 3.079 ( -7.566 0.303 4.324) 8.720 3.492 ( 4.913 2.353 1.931) 5.780 3.619 ( 0.462 2.548 -5.135) 5.751 3.731 ( 6.886 4.695 -2.000) 8.571 3.965 ( -1.939 3.293 -1.395) 4.068 4.074 ( -1.802 6.849 0.337) 7.090 4.388 ( 1.435 -1.930 1.120) 2.653 4.528 ( 0.131 3.675 0.153) 3.680 4.778 ( -4.117 5.780 4.629) 8.472 5.008 ( 6.713 11.674 -8.756) 16.063 5.237 ( 8.855 3.343 -0.111) 9.466 5.433 ( -1.119 8.844 2.751) 9.330 5.583 ( -8.322 2.657 -6.943) 11.158 5.680 ( -4.454 3.376 6.145) 8.306 5.919 ( 2.038 -2.064 -3.056) 4.213 6.250 ( 0.130 -1.150 1.723) 2.076 6.410 ( -2.574 -3.631 0.668) 4.500 6.707 ( 11.564 14.337 -5.419) 19.200 7.077 ( 1.004 -8.567 0.244) 8.629 7.606 ( 2.253 -4.196 -0.848) 4.838 7.778 ( -1.907 -6.205 5.869) 8.751 8.023 ( 2.680 -8.409 3.171) 9.378 8.343 ( -13.993 -10.862 4.635) 18.311 9.011 ( -4.998 8.586 -3.090) 10.404 9.565 ( 11.138 3.239 -2.886) 11.953 9.798 ( 4.325 -6.043 7.037) 10.234 10.657 ( 9.052 -13.475 -1.919) 16.346 12.027 ( 0.238 5.580 -2.512) 6.124 12.212 ( 2.128 3.289 -3.127) 5.012 12.352 ( -0.631 3.386 -2.814) 4.447 12.833 ( -3.646 0.010 -2.065) 4.190 13.011 ( 2.111 0.711 -1.748) 2.832 13.163 ( -10.459 4.243 3.485) 11.813 14.712 ( 16.240 17.217 -7.341) 24.780 16.137 ( -15.421 -23.416 4.797) 28.445 20.141 ( -0.488 0.779 0.587) 1.091 20.340 ( -2.220 -1.996 2.258) 3.743 20.663 ( 1.254 -1.242 3.245) 3.694 20.820 ( -5.606 -4.380 2.921) 7.691 21.281 ( -1.874 4.738 -3.892) 6.412 21.542 ( 3.499 -1.909 -1.978) 4.450 22.245 ( 8.156 13.494 -3.330) 16.115 22.712 ( -0.246 -9.472 6.321) 11.390 ======================= Grid point 105 (50/170) ======================= q-point: ( 0.00 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( -4.363 5.202 5.559) 8.775 1.184 ( -5.232 6.303 5.996) 10.151 1.357 ( -1.105 -1.855 4.035) 4.577 1.648 ( 0.189 -7.856 6.076) 9.933 1.993 ( 4.400 7.304 5.320) 10.050 2.028 ( -1.053 5.432 3.514) 6.555 2.154 ( -1.094 5.970 2.744) 6.661 2.272 ( -1.467 0.718 3.386) 3.760 2.509 ( 0.460 2.790 0.880) 2.962 2.650 ( -0.387 4.034 -0.558) 4.090 2.991 ( 0.062 6.108 1.229) 6.231 3.068 ( -4.668 4.094 4.874) 7.894 3.609 ( 2.884 2.308 1.932) 4.168 3.656 ( 4.079 0.839 2.599) 4.909 3.873 ( -3.023 6.500 -2.955) 7.754 4.031 ( 0.784 5.845 3.247) 6.732 4.192 ( -4.201 1.205 -2.751) 5.164 4.328 ( 1.478 -2.608 1.078) 3.186 4.527 ( 1.923 1.722 -3.860) 4.644 4.761 ( -5.224 -1.098 0.332) 5.349 5.215 ( 0.696 4.359 -6.961) 8.243 5.289 ( -3.231 1.409 -7.539) 8.322 5.519 ( 3.016 7.118 -3.422) 8.454 5.595 ( 1.527 4.613 -1.370) 5.048 5.853 ( -1.169 8.880 5.518) 10.521 6.022 ( 7.804 -0.839 5.521) 9.596 6.324 ( 5.500 -1.479 13.981) 15.097 6.447 ( 4.740 -2.185 14.808) 15.701 6.887 ( 1.963 -1.671 3.206) 4.113 6.958 ( -1.093 -2.420 0.832) 2.783 7.575 ( -5.225 0.110 -3.604) 6.349 7.700 ( 3.518 -3.728 3.669) 6.304 7.902 ( -3.419 1.473 3.747) 5.282 8.220 ( 3.797 -11.142 10.949) 16.076 9.146 ( 3.755 6.128 -1.202) 7.286 9.457 ( -2.801 -10.070 -0.069) 10.453 10.005 ( 0.610 8.441 3.062) 9.000 10.432 ( -0.667 -11.412 -3.766) 12.036 12.110 ( -0.979 8.463 -6.552) 10.748 12.277 ( 3.288 4.106 -7.274) 8.976 12.397 ( -0.689 1.287 -1.891) 2.389 12.676 ( 1.049 -7.993 -7.780) 11.203 13.075 ( -3.020 3.669 0.016) 4.752 13.136 ( 0.151 1.777 0.849) 1.975 15.056 ( -0.609 14.325 -5.558) 15.377 15.683 ( -1.905 -13.725 -0.041) 13.857 20.133 ( -2.285 1.764 -1.613) 3.307 20.249 ( -2.490 -3.535 -0.114) 4.325 20.689 ( 0.616 -0.490 3.045) 3.145 20.726 ( -2.859 -1.598 5.265) 6.201 21.323 ( 0.104 3.662 -2.529) 4.452 21.479 ( 1.126 -4.317 -2.030) 4.901 22.512 ( 3.974 5.444 1.814) 6.980 22.666 ( 0.941 -2.732 3.912) 4.864 ======================= Grid point 106 (51/170) ======================= q-point: ( 0.12 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 1.986 1.972 2.735) 3.914 1.186 ( 0.687 -2.559 1.482) 3.036 1.484 ( 7.370 3.018 8.095) 11.356 1.737 ( 2.312 -7.246 6.692) 10.131 2.021 ( -3.672 10.275 2.443) 11.182 2.113 ( 2.695 8.408 4.812) 10.055 2.228 ( 4.663 3.564 8.056) 9.967 2.344 ( 6.530 -0.290 3.174) 7.266 2.501 ( -1.329 0.740 0.453) 1.587 2.651 ( 2.220 0.237 -2.468) 3.328 2.994 ( -0.598 4.685 -1.934) 5.104 3.062 ( -0.954 3.611 5.133) 6.348 3.650 ( -0.789 4.113 -3.635) 5.546 3.740 ( 4.628 5.859 -0.655) 7.495 3.839 ( 0.841 3.697 5.386) 6.587 4.057 ( -3.667 -1.753 3.113) 5.120 4.139 ( 1.001 4.937 3.463) 6.113 4.321 ( -1.215 0.251 -2.198) 2.525 4.572 ( 3.905 3.038 -1.086) 5.066 4.686 ( -2.160 -0.247 0.983) 2.386 5.084 ( -3.847 6.060 -3.328) 7.912 5.285 ( 4.533 0.204 -5.741) 7.318 5.528 ( 1.581 6.508 -5.107) 8.422 5.619 ( 1.351 4.786 -0.916) 5.057 5.856 ( -2.268 12.043 2.170) 12.445 6.198 ( 5.556 -6.223 5.429) 9.954 6.561 ( 5.409 -0.714 11.666) 12.879 6.696 ( 4.785 0.006 14.897) 15.647 6.939 ( 2.266 1.076 3.957) 4.685 7.042 ( 5.244 -3.259 10.093) 11.832 7.426 ( -4.565 5.351 -4.140) 8.162 7.768 ( -0.940 -3.474 -0.452) 3.627 7.921 ( 0.454 -0.437 11.561) 11.578 8.396 ( 5.331 -16.749 8.782) 19.649 9.232 ( 4.456 1.875 2.137) 5.285 9.376 ( -5.323 -6.976 -2.894) 9.240 9.937 ( -11.854 8.126 5.197) 15.283 10.308 ( -8.229 -9.041 -5.239) 13.301 12.011 ( -2.044 10.205 -7.413) 12.778 12.275 ( 2.589 6.715 -7.868) 10.663 12.365 ( 1.143 -3.852 -2.993) 5.010 12.638 ( 4.503 -8.721 -10.934) 14.693 13.032 ( -0.559 5.466 -0.337) 5.505 13.193 ( 3.813 -0.180 1.375) 4.057 14.945 ( -4.951 18.339 -5.700) 19.833 15.674 ( 0.824 -14.963 -0.994) 15.019 20.075 ( -2.192 2.129 -2.042) 3.675 20.210 ( -1.412 -4.223 -0.832) 4.530 20.713 ( -2.088 -0.225 4.563) 5.023 20.743 ( 0.147 -1.710 3.432) 3.837 21.315 ( 1.884 4.105 -3.059) 5.455 21.486 ( 1.502 -4.306 -1.605) 4.835 22.590 ( 1.573 4.071 4.168) 6.035 22.688 ( -2.679 -0.982 4.078) 4.977 ======================= Grid point 107 (52/170) ======================= q-point: ( 0.25 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 4.679 -0.719 1.145) 4.871 1.284 ( 9.116 -4.315 1.829) 10.250 1.660 ( 3.058 4.896 6.003) 8.328 1.822 ( 0.707 -5.934 5.715) 8.269 2.001 ( 0.827 9.541 3.363) 10.150 2.185 ( 1.463 9.174 2.363) 9.585 2.348 ( 0.677 -1.894 6.031) 6.358 2.483 ( -1.493 0.715 4.567) 4.858 2.551 ( 10.685 -1.353 2.395) 11.034 2.715 ( 7.260 -1.025 -0.179) 7.334 2.961 ( -0.274 5.153 -1.399) 5.346 3.090 ( 0.890 0.343 -0.322) 1.006 3.545 ( -3.955 4.759 -4.781) 7.819 3.779 ( -2.017 -1.019 -2.507) 3.375 3.947 ( 7.395 8.994 5.641) 12.938 4.066 ( -1.341 4.198 6.807) 8.109 4.196 ( -0.057 4.358 3.777) 5.767 4.289 ( -0.004 3.139 -0.922) 3.272 4.590 ( -0.052 2.526 0.864) 2.670 4.730 ( 4.434 -1.304 1.027) 4.735 5.049 ( 0.968 8.718 -1.113) 8.842 5.288 ( 0.644 2.629 -4.724) 5.444 5.479 ( -0.890 4.232 -5.204) 6.766 5.589 ( -3.945 3.127 -1.616) 5.287 5.871 ( 3.275 9.971 1.503) 10.602 6.278 ( 0.527 -10.615 1.181) 10.693 6.685 ( 1.603 2.209 3.397) 4.358 6.804 ( -0.518 3.109 4.682) 5.644 7.036 ( -1.030 7.518 6.577) 10.042 7.247 ( 6.312 0.770 8.249) 10.415 7.399 ( 2.387 -0.174 0.774) 2.515 7.719 ( -1.897 -2.670 0.777) 3.366 8.089 ( 4.119 -3.807 12.993) 14.152 8.564 ( 7.252 -18.586 5.248) 20.629 9.171 ( -12.721 -1.057 -1.366) 12.838 9.328 ( 1.364 -6.506 -1.392) 6.792 9.767 ( -11.921 9.697 6.291) 16.605 10.093 ( -10.519 -5.439 -4.629) 12.715 11.938 ( 0.314 8.256 -4.353) 9.339 12.198 ( -2.346 2.384 -6.769) 7.550 12.393 ( 5.368 -0.836 -5.649) 7.837 12.627 ( 6.467 -7.323 -12.248) 15.668 13.055 ( 2.574 5.570 1.072) 6.229 13.271 ( 2.593 -1.954 3.362) 4.674 14.823 ( -3.868 22.749 -3.546) 23.346 15.680 ( 0.868 -17.869 -0.817) 17.909 20.032 ( -1.193 2.567 -0.660) 2.906 20.190 ( -0.578 -4.802 0.179) 4.840 20.710 ( -2.943 0.554 4.274) 5.219 20.778 ( 0.716 -2.794 2.208) 3.633 21.330 ( 3.225 4.451 -3.250) 6.386 21.499 ( 1.045 -3.643 -0.348) 3.806 22.631 ( -0.915 2.397 2.766) 3.772 22.653 ( -4.418 0.913 2.081) 4.968 ======================= Grid point 108 (53/170) ======================= q-point: ( 0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( 4.866 0.635 -0.843) 4.980 1.447 ( 5.293 -5.393 3.222) 8.215 1.693 ( -1.843 9.107 3.889) 10.072 1.854 ( -2.992 -2.555 4.519) 5.992 2.114 ( 6.380 0.654 1.748) 6.647 2.223 ( 1.779 7.173 1.635) 7.569 2.363 ( -3.676 -3.277 4.142) 6.435 2.460 ( -4.860 -2.620 2.242) 5.959 2.737 ( 7.130 3.065 2.753) 8.235 2.834 ( 2.018 1.551 2.109) 3.306 2.995 ( 6.381 1.120 -0.795) 6.527 3.096 ( 0.887 -1.783 -0.621) 2.086 3.470 ( -0.445 5.751 -2.183) 6.167 3.700 ( -4.004 -1.092 -0.324) 4.163 4.072 ( -1.208 7.554 2.413) 8.022 4.113 ( -0.498 5.551 5.422) 7.775 4.209 ( 0.669 8.967 2.167) 9.249 4.300 ( 1.208 2.317 0.997) 2.797 4.616 ( 1.575 4.182 1.140) 4.612 4.823 ( 4.958 3.294 -0.092) 5.953 5.049 ( 0.736 7.084 -2.229) 7.463 5.245 ( 0.317 5.022 -2.426) 5.586 5.441 ( 0.289 2.046 -2.852) 3.522 5.481 ( -6.250 0.964 0.582) 6.351 5.969 ( 6.136 4.081 -0.683) 7.401 6.266 ( -0.867 -9.910 -1.796) 10.109 6.696 ( -0.242 5.759 -3.492) 6.740 6.821 ( -1.125 2.895 4.034) 5.092 6.996 ( -7.211 9.265 2.761) 12.061 7.326 ( 2.086 3.401 -7.694) 8.667 7.421 ( -1.129 -2.277 -2.145) 3.326 7.759 ( 2.170 -7.903 4.407) 9.306 8.253 ( 1.872 -1.412 9.303) 9.594 8.708 ( 0.853 -17.440 2.292) 17.611 8.963 ( -4.319 1.158 0.642) 4.517 9.256 ( -8.537 -10.594 -0.530) 13.616 9.682 ( -3.213 8.630 1.924) 9.408 9.905 ( -6.988 -0.813 -1.809) 7.264 11.948 ( 2.725 4.831 0.239) 5.552 12.111 ( -1.062 1.619 -4.294) 4.711 12.423 ( 4.714 0.896 -6.730) 8.266 12.633 ( 7.228 -6.581 -11.862) 15.371 13.123 ( 2.383 5.034 3.428) 6.540 13.339 ( 0.280 -2.639 5.938) 6.504 14.757 ( -1.151 25.048 -1.286) 25.108 15.692 ( 0.761 -20.151 0.644) 20.175 20.025 ( -0.181 2.864 1.666) 3.318 20.194 ( -0.177 -4.952 2.004) 5.345 20.692 ( -2.911 1.171 2.816) 4.216 20.804 ( 0.084 -3.904 1.861) 4.325 21.365 ( 4.063 4.489 -2.738) 6.645 21.513 ( -0.183 -2.505 1.563) 2.959 22.576 ( -3.317 2.437 -3.063) 5.131 22.616 ( -2.740 0.462 0.100) 2.781 ======================= Grid point 109 (54/170) ======================= q-point: (-0.50 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 0.717 3.274 -1.138) 3.540 1.527 ( 1.131 -2.404 3.922) 4.737 1.693 ( -3.355 5.749 3.431) 7.488 1.807 ( -4.962 0.988 1.819) 5.376 2.130 ( -6.000 -3.169 -2.324) 7.173 2.247 ( -0.820 -1.113 -1.458) 2.009 2.325 ( -1.727 4.017 1.730) 4.703 2.435 ( -1.111 -1.165 4.869) 5.128 2.775 ( -2.933 3.286 -1.615) 4.692 2.850 ( -0.618 0.465 2.082) 2.221 3.089 ( -1.860 -1.787 1.126) 2.815 3.129 ( 5.662 -2.331 2.222) 6.513 3.489 ( 2.215 6.035 1.261) 6.551 3.669 ( 0.413 0.397 0.761) 0.953 4.012 ( -6.478 7.248 -3.244) 10.248 4.065 ( -2.749 6.520 -0.146) 7.077 4.252 ( -1.493 8.242 3.745) 9.175 4.343 ( 0.312 2.394 3.795) 4.498 4.615 ( -1.976 5.827 -0.901) 6.219 4.898 ( 4.233 7.997 0.975) 9.100 5.048 ( 0.227 2.225 -3.565) 4.208 5.277 ( 3.651 7.258 3.272) 8.759 5.410 ( 0.883 2.708 -2.006) 3.484 5.476 ( 2.268 2.259 4.204) 5.284 6.011 ( -0.319 1.000 -3.056) 3.232 6.223 ( -1.209 -8.304 -4.286) 9.423 6.637 ( -0.469 6.860 -5.506) 8.808 6.801 ( -5.223 -4.138 -1.622) 6.858 6.932 ( -1.290 10.397 2.937) 10.880 7.193 ( -1.631 4.066 -18.713) 19.219 7.322 ( -5.183 -0.396 -6.392) 8.239 7.800 ( 0.504 -12.781 -2.258) 12.988 8.254 ( -11.323 4.561 7.063) 14.103 8.653 ( -2.576 -13.975 -0.281) 14.213 9.042 ( 1.334 -5.612 -2.276) 6.201 9.133 ( 0.985 -5.268 5.572) 7.731 9.652 ( -1.993 5.973 -0.664) 6.331 9.852 ( 2.312 -1.947 -0.004) 3.022 12.007 ( 1.490 4.315 3.373) 5.676 12.110 ( 4.213 2.059 -1.436) 4.905 12.433 ( 3.930 1.478 -7.118) 8.264 12.659 ( 6.901 -7.497 -8.844) 13.492 13.181 ( -0.284 5.219 4.676) 7.013 13.385 ( -2.351 -2.448 7.581) 8.307 14.759 ( 1.727 25.585 0.380) 25.646 15.721 ( 0.821 -21.744 2.566) 21.911 20.054 ( 0.422 2.916 3.957) 4.934 20.218 ( -0.143 -4.548 3.780) 5.916 20.665 ( -2.403 1.600 1.442) 3.227 20.814 ( -0.926 -4.955 1.828) 5.362 21.414 ( 3.988 3.798 -1.798) 5.793 21.516 ( -2.028 -0.927 2.836) 3.607 22.492 ( -1.103 3.230 -6.589) 7.421 22.553 ( -1.761 -0.970 -4.262) 4.712 ======================= Grid point 110 (55/170) ======================= q-point: (-0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( -3.896 5.642 0.433) 6.869 1.524 ( -6.218 -1.685 2.076) 6.769 1.625 ( -6.624 4.991 1.868) 8.501 1.754 ( -2.525 2.403 0.557) 3.530 1.973 ( -6.764 0.871 0.165) 6.822 2.166 ( -5.132 -0.412 -3.780) 6.387 2.311 ( -4.163 1.633 1.285) 4.653 2.451 ( 0.540 3.038 0.711) 3.166 2.688 ( -7.285 -2.390 0.799) 7.708 2.824 ( -3.845 -3.672 0.614) 5.352 3.046 ( -3.547 4.452 2.679) 6.291 3.195 ( -1.773 -1.106 3.374) 3.968 3.541 ( 2.575 5.191 0.459) 5.812 3.697 ( 3.832 0.675 -5.483) 6.723 3.857 ( -4.998 7.313 -6.356) 10.902 4.033 ( -2.608 3.617 4.176) 6.109 4.227 ( -4.153 8.719 4.216) 10.538 4.366 ( -0.883 1.824 2.040) 2.876 4.590 ( -0.572 4.380 0.989) 4.526 4.889 ( -6.191 -4.554 2.106) 7.969 5.061 ( 5.016 13.263 -3.596) 14.628 5.350 ( -0.086 6.637 1.809) 6.880 5.474 ( 6.666 9.917 1.631) 12.060 5.610 ( 6.751 3.896 5.459) 9.517 5.919 ( -6.057 2.782 -1.807) 6.906 6.133 ( -2.390 -7.290 -8.797) 11.673 6.564 ( -4.582 3.152 -8.837) 10.442 6.665 ( -4.741 -5.582 -5.520) 9.171 6.843 ( -4.161 7.271 -9.621) 12.757 7.068 ( -2.202 -2.574 -8.806) 9.435 7.224 ( 4.910 4.694 -0.872) 6.848 7.736 ( -1.444 -10.338 -9.301) 13.981 8.087 ( -14.580 2.633 9.436) 17.566 8.528 ( -8.963 -18.091 -5.999) 21.062 9.090 ( 7.000 2.354 1.626) 7.563 9.290 ( 8.358 -5.424 3.097) 10.434 9.596 ( -3.094 8.163 0.029) 8.730 9.980 ( 11.445 -8.600 0.325) 14.319 12.069 ( 1.702 6.520 4.713) 8.223 12.191 ( 6.120 2.107 -2.159) 6.823 12.429 ( 2.954 1.544 -6.503) 7.308 12.704 ( 5.490 -8.876 -4.752) 11.468 13.189 ( -3.507 6.064 4.022) 8.078 13.388 ( -5.472 -1.874 7.243) 9.269 14.821 ( 4.667 24.444 1.186) 24.914 15.760 ( 0.063 -22.504 3.803) 22.824 20.105 ( 0.444 2.746 5.129) 5.835 20.255 ( -0.357 -3.815 4.896) 6.217 20.641 ( -1.581 1.672 0.826) 2.445 20.805 ( -2.212 -5.633 1.927) 6.352 21.457 ( 1.571 1.825 -0.787) 2.534 21.493 ( -2.487 0.933 1.614) 3.108 22.423 ( 0.900 4.801 -7.631) 9.060 22.504 ( 2.158 -2.593 -6.013) 6.894 ======================= Grid point 111 (56/170) ======================= q-point: (-0.25 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( -7.762 8.216 0.399) 11.310 1.404 ( -9.111 3.918 4.488) 10.886 1.507 ( -7.860 1.662 0.696) 8.064 1.709 ( -4.882 -2.726 2.823) 6.263 1.948 ( -0.349 6.435 2.035) 6.759 2.044 ( -3.674 2.179 -1.891) 4.671 2.215 ( -6.011 3.045 -0.289) 6.744 2.448 ( -4.322 4.894 -0.057) 6.530 2.545 ( -7.304 -5.166 0.706) 8.974 2.744 ( -5.087 -4.468 0.424) 6.784 3.021 ( -2.893 8.848 2.053) 9.533 3.163 ( -5.350 1.078 5.239) 7.565 3.549 ( 0.889 4.503 -4.911) 6.722 3.687 ( 0.697 -0.874 -6.914) 7.004 3.779 ( 2.642 9.223 -1.704) 9.744 4.058 ( -1.852 1.931 6.999) 7.493 4.216 ( -2.278 3.950 5.320) 7.007 4.355 ( -0.636 1.375 -1.376) 2.047 4.586 ( -0.499 3.439 -1.194) 3.675 4.821 ( -3.894 -4.056 3.903) 6.845 5.100 ( 3.069 10.454 -1.602) 11.012 5.359 ( 1.243 8.129 -1.008) 8.285 5.578 ( 3.668 9.867 0.910) 10.566 5.730 ( 1.583 4.359 1.204) 4.791 5.831 ( -4.404 5.141 3.145) 7.465 5.990 ( -3.147 -4.544 -11.996) 13.208 6.336 ( -7.334 0.462 -10.060) 12.458 6.470 ( -9.929 -5.113 -5.998) 12.678 6.827 ( 4.856 6.668 -1.987) 8.485 6.948 ( -2.415 -5.104 -2.451) 6.155 7.414 ( 10.022 -0.401 6.326) 11.858 7.615 ( -1.213 -4.801 -7.991) 9.401 7.968 ( -7.672 -0.009 5.843) 9.644 8.311 ( -9.632 -14.585 -4.410) 18.027 9.174 ( 1.183 1.548 -1.799) 2.652 9.444 ( 3.760 -10.563 2.799) 11.556 9.630 ( 9.480 15.509 1.274) 18.221 10.202 ( 13.118 -12.320 0.107) 17.997 12.134 ( 1.789 6.367 1.696) 6.827 12.266 ( 5.857 3.420 -3.940) 7.844 12.414 ( 1.240 2.069 -4.479) 5.087 12.746 ( 2.885 -9.235 -2.645) 10.030 13.142 ( -4.841 6.713 2.092) 8.537 13.327 ( -8.285 -1.005 5.223) 9.845 14.932 ( 6.950 21.134 0.516) 22.253 15.777 ( -2.289 -21.431 3.308) 21.806 20.153 ( -0.115 2.411 4.157) 4.808 20.287 ( -1.225 -3.245 4.557) 5.727 20.632 ( -0.506 1.237 1.462) 1.981 20.775 ( -3.411 -5.264 2.301) 6.681 21.421 ( -3.478 2.161 -0.576) 4.135 21.491 ( 0.756 -0.811 -1.166) 1.609 22.396 ( 3.589 6.086 -6.032) 9.290 22.523 ( 4.830 -3.257 -3.277) 6.684 ======================= Grid point 112 (57/170) ======================= q-point: (-0.12 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( -4.402 10.101 5.837) 12.469 1.297 ( -10.364 7.813 5.472) 14.085 1.398 ( -6.408 -3.305 3.669) 8.090 1.648 ( -5.083 -6.658 3.820) 9.206 1.922 ( -0.340 6.947 0.503) 6.974 2.044 ( -1.814 3.146 2.612) 4.473 2.143 ( -1.506 6.859 1.354) 7.152 2.324 ( -7.676 0.399 2.955) 8.235 2.495 ( -0.574 1.569 -0.165) 1.678 2.679 ( -2.677 0.644 -0.032) 2.754 2.993 ( -2.205 9.084 2.338) 9.635 3.115 ( -5.725 2.496 4.826) 7.893 3.543 ( 2.234 2.754 -0.258) 3.556 3.632 ( -0.518 -0.730 -2.379) 2.541 3.862 ( 5.655 8.252 -0.973) 10.051 4.051 ( -3.671 4.176 1.541) 5.770 4.232 ( -1.056 5.821 3.528) 6.888 4.321 ( -0.909 -3.535 -2.414) 4.376 4.556 ( -0.300 0.693 -3.248) 3.334 4.813 ( -2.722 -3.444 3.574) 5.661 5.163 ( 6.786 7.401 -3.205) 10.540 5.379 ( 1.706 6.035 -1.048) 6.358 5.594 ( -0.938 4.700 -4.942) 6.884 5.654 ( -7.225 4.371 -9.505) 12.714 5.802 ( -0.960 5.384 8.645) 10.229 5.899 ( 2.016 1.983 -1.398) 3.154 6.218 ( -1.394 -0.924 0.956) 1.927 6.333 ( -3.455 -4.045 5.161) 7.412 6.851 ( 0.374 0.297 0.451) 0.656 6.962 ( 1.387 -1.950 0.515) 2.448 7.549 ( 3.689 -1.524 1.096) 4.139 7.660 ( 3.915 -5.432 4.264) 7.939 7.917 ( -2.071 -0.301 1.246) 2.435 8.157 ( -5.747 -7.994 2.884) 10.259 9.141 ( -0.432 5.101 -3.186) 6.029 9.479 ( -0.635 -10.737 1.563) 10.869 9.863 ( 12.076 11.411 2.141) 16.752 10.388 ( 8.393 -12.812 -1.533) 15.392 12.151 ( 1.097 6.072 -3.198) 6.950 12.299 ( 3.059 2.798 -6.719) 7.895 12.404 ( 1.001 3.888 -1.290) 4.217 12.735 ( -0.647 -7.910 -4.162) 8.962 13.092 ( -1.622 5.262 0.536) 5.533 13.214 ( -8.510 0.442 2.682) 8.934 15.042 ( 5.932 16.243 -2.229) 17.436 15.738 ( -4.428 -17.457 1.400) 18.064 20.167 ( -1.161 1.923 1.092) 2.498 20.287 ( -2.603 -3.158 2.302) 4.696 20.652 ( 0.448 0.390 2.724) 2.788 20.740 ( -3.572 -3.460 3.700) 6.198 21.359 ( -2.018 3.112 -1.932) 4.182 21.485 ( 0.416 -3.252 -1.900) 3.789 22.435 ( 5.036 6.210 -2.299) 8.320 22.595 ( 4.208 -3.316 1.066) 5.463 ======================= Grid point 113 (58/170) ======================= q-point: ( 0.00 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( -6.354 -3.935 0.601) 7.498 1.183 ( -6.354 3.935 0.601) 7.498 1.461 ( -0.365 -9.379 9.031) 13.025 1.461 ( -0.365 9.379 9.031) 13.025 2.080 ( 2.058 -0.987 6.662) 7.042 2.080 ( 2.058 0.987 6.662) 7.042 2.245 ( -1.353 -2.986 1.955) 3.817 2.245 ( -1.353 2.986 1.955) 3.817 2.601 ( 0.593 -5.547 -1.631) 5.812 2.601 ( 0.593 5.547 -1.631) 5.812 3.093 ( -2.647 -2.139 1.944) 3.919 3.093 ( -2.647 2.139 1.944) 3.919 3.650 ( 4.432 -1.460 2.893) 5.490 3.650 ( 4.432 1.460 2.893) 5.490 4.032 ( -4.537 -7.278 -1.302) 8.675 4.032 ( -4.537 7.278 -1.302) 8.675 4.234 ( 1.176 -6.053 -0.827) 6.221 4.234 ( 1.176 6.053 -0.827) 6.221 4.651 ( -0.160 -8.195 -0.330) 8.203 4.651 ( -0.160 8.195 -0.330) 8.203 5.286 ( -4.005 -2.265 -4.025) 6.113 5.286 ( -4.005 2.265 -4.025) 6.113 5.622 ( 4.769 -2.784 -6.455) 8.495 5.622 ( 4.769 2.784 -6.455) 8.495 5.972 ( 2.617 -5.220 5.647) 8.123 5.972 ( 2.617 5.220 5.647) 8.123 6.377 ( 5.381 -4.689 15.435) 17.005 6.377 ( 5.381 4.689 15.435) 17.005 6.897 ( -0.830 -3.013 2.587) 4.057 6.897 ( -0.830 3.013 2.587) 4.057 7.613 ( 0.391 -3.666 2.036) 4.212 7.613 ( 0.391 3.666 2.036) 4.212 8.017 ( -0.690 -8.477 5.237) 9.988 8.017 ( -0.690 8.477 5.237) 9.988 9.273 ( 0.388 -7.331 -0.199) 7.344 9.273 ( 0.388 7.331 -0.199) 7.344 10.208 ( 0.116 -10.706 -0.565) 10.722 10.208 ( 0.116 10.706 -0.565) 10.722 12.260 ( 1.785 -5.309 -4.562) 7.224 12.260 ( 1.785 5.309 -4.562) 7.224 12.502 ( -0.302 -8.172 -7.615) 11.174 12.502 ( -0.302 8.172 -7.615) 11.174 13.132 ( -1.293 -1.788 0.141) 2.211 13.132 ( -1.293 1.788 0.141) 2.211 15.375 ( -1.013 -16.036 -1.732) 16.161 15.375 ( -1.013 16.036 -1.732) 16.161 20.181 ( -2.471 -2.938 -0.928) 3.949 20.181 ( -2.471 2.938 -0.928) 3.949 20.698 ( -1.044 -1.101 4.330) 4.588 20.698 ( -1.044 1.101 4.330) 4.588 21.396 ( 0.517 -3.750 -2.079) 4.319 21.396 ( 0.517 3.750 -2.079) 4.319 22.604 ( 2.771 -3.614 2.347) 5.123 22.604 ( 2.771 3.614 2.347) 5.123 ======================= Grid point 115 (59/170) ======================= q-point: ( 0.12 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 1.577 -2.642 -1.689) 3.510 1.126 ( 1.577 2.642 -1.689) 3.510 1.587 ( 3.761 -6.655 9.508) 12.200 1.587 ( 3.761 6.655 9.508) 12.200 2.188 ( 0.312 -3.941 7.717) 8.670 2.188 ( 0.312 3.941 7.717) 8.670 2.279 ( 3.875 -4.458 2.639) 6.469 2.279 ( 3.875 4.458 2.639) 6.469 2.579 ( 0.401 -5.569 -2.426) 6.088 2.579 ( 0.401 5.569 -2.426) 6.088 3.070 ( -1.249 -2.308 0.142) 2.628 3.070 ( -1.249 2.308 0.142) 2.628 3.741 ( 1.799 -3.927 -1.888) 4.714 3.741 ( 1.799 3.927 -1.888) 4.714 3.961 ( -0.432 -6.556 3.711) 7.546 3.961 ( -0.432 6.556 3.711) 7.546 4.266 ( 1.101 -5.655 1.389) 5.926 4.266 ( 1.101 5.655 1.389) 5.926 4.645 ( -0.372 -3.546 0.303) 3.578 4.645 ( -0.372 3.546 0.303) 3.578 5.223 ( 0.784 -5.977 -2.567) 6.552 5.223 ( 0.784 5.977 -2.567) 6.552 5.636 ( 2.787 -3.168 -6.774) 7.980 5.636 ( 2.787 3.168 -6.774) 7.980 6.052 ( 0.524 -8.056 3.682) 8.873 6.052 ( 0.524 8.056 3.682) 8.873 6.627 ( 5.066 -5.696 13.535) 15.534 6.627 ( 5.066 5.696 13.535) 15.534 6.966 ( 4.009 -2.947 9.700) 10.902 6.966 ( 4.009 2.947 9.700) 10.902 7.616 ( -0.790 -10.655 -0.121) 10.685 7.616 ( -0.790 10.655 -0.121) 10.685 8.073 ( 0.614 -13.693 7.721) 15.732 8.073 ( 0.614 13.693 7.721) 15.732 9.270 ( -1.153 -2.998 -0.088) 3.213 9.270 ( -1.153 2.998 -0.088) 3.213 10.123 ( -8.894 -9.304 0.042) 12.871 10.123 ( -8.894 9.304 0.042) 12.871 12.220 ( -1.673 -9.007 -5.616) 10.745 12.220 ( -1.673 9.007 -5.616) 10.745 12.450 ( 4.483 -8.882 -9.423) 13.703 12.450 ( 4.483 8.882 -9.423) 13.703 13.138 ( 1.586 -4.505 0.032) 4.777 13.138 ( 1.586 4.505 0.032) 4.777 15.329 ( -1.876 -18.439 -2.323) 18.679 15.329 ( -1.876 18.439 -2.323) 18.679 20.131 ( -1.798 -3.392 -1.563) 4.145 20.131 ( -1.798 3.392 -1.563) 4.145 20.719 ( -1.209 -0.759 4.298) 4.529 20.719 ( -1.209 0.759 4.298) 4.529 21.397 ( 1.879 -4.170 -2.254) 5.099 21.397 ( 1.879 4.170 -2.254) 5.099 22.656 ( -0.201 -2.329 3.755) 4.424 22.656 ( -0.201 2.329 3.755) 4.424 ======================= Grid point 117 (60/170) ======================= q-point: ( 0.25 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 7.708 -3.289 -0.987) 8.438 1.202 ( 7.708 3.289 -0.987) 8.438 1.728 ( 2.629 -3.283 7.888) 8.939 1.728 ( 2.629 3.283 7.888) 8.939 2.220 ( -0.805 -9.887 2.247) 10.171 2.220 ( -0.805 9.887 2.247) 10.171 2.358 ( -0.728 -7.605 5.034) 9.149 2.358 ( -0.728 7.605 5.034) 9.149 2.646 ( 8.462 -5.219 1.463) 10.049 2.646 ( 8.462 5.219 1.463) 10.049 3.051 ( -0.057 -3.524 -1.701) 3.914 3.051 ( -0.057 3.524 -1.701) 3.914 3.675 ( -3.149 -7.033 -4.089) 8.724 3.675 ( -3.149 7.033 -4.089) 8.724 4.076 ( 4.447 -3.331 6.661) 8.674 4.076 ( 4.447 3.331 6.661) 8.674 4.288 ( 0.532 -3.236 0.818) 3.380 4.288 ( 0.532 3.236 0.818) 3.380 4.664 ( 1.896 -4.306 2.093) 5.150 4.664 ( 1.896 4.306 2.093) 5.150 5.241 ( 2.651 -7.443 -1.885) 8.122 5.241 ( 2.651 7.443 -1.885) 8.122 5.575 ( -2.980 -4.123 -6.283) 8.084 5.575 ( -2.980 4.123 -6.283) 8.084 6.066 ( 0.168 -9.691 0.507) 9.706 6.066 ( 0.168 9.691 0.507) 9.706 6.752 ( 0.410 -4.799 5.469) 7.288 6.752 ( 0.410 4.799 5.469) 7.288 7.170 ( 4.813 -5.610 11.172) 13.396 7.170 ( 4.813 5.610 11.172) 13.396 7.589 ( -1.407 -11.967 -0.939) 12.086 7.589 ( -1.407 11.967 -0.939) 12.086 8.195 ( 5.247 -14.805 8.085) 17.666 8.195 ( 5.247 14.805 8.085) 17.666 9.207 ( -6.178 -4.384 -0.840) 7.622 9.207 ( -6.178 4.384 -0.840) 7.622 9.956 ( -9.859 -8.128 1.228) 12.837 9.956 ( -9.859 8.128 1.228) 12.837 12.124 ( -2.412 -8.336 -5.405) 10.224 12.124 ( -2.412 8.336 -5.405) 10.224 12.470 ( 7.224 -7.146 -9.952) 14.223 12.470 ( 7.224 7.146 -9.952) 14.223 13.180 ( 2.098 -6.054 2.080) 6.736 13.180 ( 2.098 6.054 2.080) 6.736 15.279 ( -1.486 -21.326 -1.732) 21.447 15.279 ( -1.486 21.326 -1.732) 21.447 20.099 ( -0.831 -3.962 -0.332) 4.062 20.099 ( -0.831 3.962 -0.332) 4.062 20.732 ( -1.493 -1.673 3.604) 4.245 20.732 ( -1.493 1.673 3.604) 4.245 21.416 ( 2.512 -4.190 -1.878) 5.233 21.416 ( 2.512 4.190 -1.878) 5.233 22.661 ( -2.514 -0.444 2.163) 3.346 22.661 ( -2.514 0.444 2.163) 3.346 ======================= Grid point 119 (61/170) ======================= q-point: ( 0.38 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 6.605 -5.512 0.246) 8.607 1.329 ( 6.605 5.512 0.246) 8.607 1.805 ( -1.299 -2.755 6.282) 6.981 1.805 ( -1.299 2.755 6.282) 6.981 2.205 ( -0.683 -7.191 -2.922) 7.792 2.205 ( -0.683 7.191 -2.922) 7.792 2.382 ( -2.375 -5.155 7.542) 9.439 2.382 ( -2.375 5.155 7.542) 9.439 2.809 ( 6.013 -3.286 2.093) 7.165 2.809 ( 6.013 3.286 2.093) 7.165 3.041 ( 1.179 -3.081 -1.955) 3.834 3.041 ( 1.179 3.081 -1.955) 3.834 3.611 ( -1.126 -6.752 -0.926) 6.907 3.611 ( -1.126 6.752 -0.926) 6.907 4.160 ( -1.040 -0.880 3.560) 3.811 4.160 ( -1.040 0.880 3.560) 3.811 4.308 ( 1.194 -1.504 0.937) 2.136 4.308 ( 1.194 1.504 0.937) 2.136 4.751 ( 4.890 -7.345 2.771) 9.249 4.751 ( 4.890 7.345 2.771) 9.249 5.246 ( 1.098 -7.436 -4.752) 8.893 5.246 ( 1.098 7.436 -4.752) 8.893 5.466 ( -3.642 -2.017 -0.638) 4.212 5.466 ( -3.642 2.017 -0.638) 4.212 6.082 ( 1.676 -7.267 -1.550) 7.617 6.082 ( 1.676 7.267 -1.550) 7.617 6.765 ( -1.833 -4.405 0.436) 4.791 6.765 ( -1.833 4.405 0.436) 4.791 7.247 ( -2.268 -9.488 1.295) 9.841 7.247 ( -2.268 9.488 1.295) 9.841 7.564 ( -1.045 -11.817 -1.384) 11.944 7.564 ( -1.045 11.817 -1.384) 11.944 8.365 ( 6.026 -13.026 4.594) 15.069 8.365 ( 6.026 13.026 4.594) 15.069 9.066 ( -8.572 -7.798 1.127) 11.643 9.066 ( -8.572 7.798 1.127) 11.643 9.834 ( -5.396 -5.852 0.381) 7.969 9.834 ( -5.396 5.852 0.381) 7.969 12.068 ( 0.174 -5.385 -1.787) 5.676 12.068 ( 0.174 5.385 -1.787) 5.676 12.497 ( 6.853 -6.011 -10.648) 14.017 12.497 ( 6.853 6.011 -10.648) 14.017 13.241 ( 0.903 -6.025 5.213) 8.018 13.241 ( 0.903 6.025 5.213) 8.018 15.253 ( -0.267 -22.980 -0.484) 22.987 15.253 ( -0.267 22.980 -0.484) 22.987 20.098 ( -0.098 -4.263 1.877) 4.658 20.098 ( -0.098 4.263 1.877) 4.658 20.733 ( -1.790 -2.847 2.625) 4.266 20.733 ( -1.790 2.847 2.625) 4.266 21.447 ( 2.341 -3.683 -0.732) 4.425 21.447 ( 2.341 3.683 -0.732) 4.425 22.613 ( -3.056 -1.030 -1.719) 3.655 22.613 ( -3.056 1.030 -1.719) 3.655 ======================= Grid point 121 (62/170) ======================= q-point: (-0.50 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 1.940 -6.805 0.924) 7.137 1.410 ( 1.940 6.805 0.924) 7.137 1.802 ( -5.047 -3.227 5.259) 7.971 1.802 ( -5.047 3.227 5.259) 7.971 2.147 ( -1.639 -5.343 -4.507) 7.180 2.147 ( -1.639 5.343 -4.507) 7.180 2.404 ( -2.580 -2.682 5.455) 6.603 2.404 ( -2.580 2.682 5.455) 6.603 2.832 ( -3.337 -2.197 -1.106) 4.146 2.832 ( -3.337 2.197 -1.106) 4.146 3.082 ( 3.691 -1.625 1.126) 4.187 3.082 ( 3.691 1.625 1.126) 4.187 3.617 ( 0.918 -5.214 1.542) 5.514 3.617 ( 0.918 5.214 1.542) 5.514 4.112 ( -4.642 -1.985 -1.895) 5.392 4.112 ( -4.642 1.985 -1.895) 5.392 4.339 ( 0.233 -2.252 2.239) 3.184 4.339 ( 0.233 2.252 2.239) 3.184 4.803 ( -2.830 -10.015 1.712) 10.547 4.803 ( -2.830 10.015 1.712) 10.547 5.255 ( 6.050 -9.786 -3.546) 12.039 5.255 ( 6.050 9.786 -3.546) 12.039 5.478 ( 2.491 -3.200 5.450) 6.794 5.478 ( 2.491 3.200 5.450) 6.794 6.068 ( -0.834 -5.312 -3.866) 6.622 6.068 ( -0.834 5.312 -3.866) 6.622 6.703 ( -3.124 -4.675 -4.202) 7.020 6.703 ( -3.124 4.675 -4.202) 7.020 7.156 ( -5.267 -8.226 -6.606) 11.792 7.156 ( -5.267 8.226 -6.606) 11.792 7.508 ( -1.342 -15.395 -4.541) 16.107 7.508 ( -1.342 15.395 -4.541) 16.107 8.400 ( -5.808 -9.709 0.169) 11.315 8.400 ( -5.808 9.709 0.169) 11.315 9.027 ( 2.249 -3.445 4.663) 6.218 9.027 ( 2.249 3.445 4.663) 6.218 9.774 ( -1.071 -5.336 -1.151) 5.563 9.774 ( -1.071 5.336 -1.151) 5.563 12.098 ( 3.039 -3.467 1.620) 4.887 12.098 ( 3.039 3.467 1.620) 4.887 12.511 ( 5.880 -6.239 -9.679) 12.930 12.511 ( 5.880 6.239 -9.679) 12.930 13.295 ( -1.495 -5.578 7.079) 9.136 13.295 ( -1.495 5.578 7.079) 9.136 15.263 ( 1.136 -23.446 0.860) 23.489 15.263 ( 1.136 23.446 0.860) 23.489 20.127 ( 0.202 -4.190 4.080) 5.851 20.127 ( 0.202 4.190 4.080) 5.851 20.720 ( -1.945 -3.820 1.748) 4.629 20.720 ( -1.945 3.820 1.748) 4.629 21.477 ( 1.133 -2.565 0.506) 2.849 21.477 ( 1.133 2.565 0.506) 2.849 22.537 ( -1.370 -1.332 -5.806) 6.113 22.537 ( -1.370 1.332 -5.806) 6.113 ======================= Grid point 123 (63/170) ======================= q-point: (-0.38 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( -3.067 -7.413 0.820) 8.065 1.408 ( -3.067 7.413 0.820) 8.065 1.729 ( -8.874 -4.332 4.919) 11.032 1.729 ( -8.874 4.332 4.919) 11.032 2.091 ( -0.551 -7.308 -3.036) 7.933 2.091 ( -0.551 7.308 -3.036) 7.933 2.387 ( -2.735 -5.855 0.998) 6.539 2.387 ( -2.735 5.855 0.998) 6.539 2.726 ( -6.947 -4.798 -0.954) 8.496 2.726 ( -6.947 4.798 -0.954) 8.496 3.140 ( 0.123 -4.056 3.022) 5.060 3.140 ( 0.123 4.056 3.022) 5.060 3.650 ( 2.440 -4.615 -1.833) 5.533 3.650 ( 2.440 4.615 -1.833) 5.533 4.003 ( -4.701 -5.610 -2.008) 7.590 4.003 ( -4.701 5.610 -2.008) 7.590 4.344 ( -1.841 -3.299 1.762) 4.168 4.344 ( -1.841 3.299 1.762) 4.168 4.742 ( -4.465 -8.474 2.230) 9.834 4.742 ( -4.465 8.474 2.230) 9.834 5.316 ( 1.898 -9.124 -0.451) 9.330 5.316 ( 1.898 9.124 -0.451) 9.330 5.640 ( 7.903 -3.723 6.156) 10.687 5.640 ( 7.903 3.723 6.156) 10.687 5.988 ( -2.730 -5.354 -5.504) 8.149 5.988 ( -2.730 5.354 -5.504) 8.149 6.579 ( -5.244 -2.108 -8.456) 10.171 6.579 ( -5.244 2.108 -8.456) 10.171 6.971 ( -6.142 -5.897 -8.213) 11.831 6.971 ( -6.142 5.897 -8.213) 11.831 7.478 ( 2.680 -14.644 -4.382) 15.519 7.478 ( 2.680 14.644 -4.382) 15.519 8.228 ( -11.748 -10.872 -0.213) 16.008 8.228 ( -11.748 10.872 -0.213) 16.008 9.163 ( 6.566 -5.248 3.266) 9.018 9.163 ( 6.566 5.248 3.266) 9.018 9.793 ( 4.987 -9.694 -0.739) 10.926 9.793 ( 4.987 9.694 -0.739) 10.926 12.180 ( 4.342 -3.678 1.253) 5.827 12.180 ( 4.342 3.678 1.253) 5.827 12.525 ( 4.626 -7.753 -6.624) 11.197 12.525 ( 4.626 7.753 -6.624) 11.197 13.309 ( -4.445 -5.324 6.574) 9.556 13.309 ( -4.445 5.324 6.574) 9.556 15.304 ( 2.102 -22.721 1.695) 22.881 15.304 ( 2.102 22.721 1.695) 22.881 20.174 ( 0.004 -3.893 5.342) 6.610 20.174 ( 0.004 3.893 5.342) 6.610 20.700 ( -1.959 -4.196 1.300) 4.810 20.700 ( -1.959 4.196 1.300) 4.810 21.487 ( -0.830 -1.186 0.650) 1.587 21.487 ( -0.830 1.186 0.650) 1.587 22.478 ( 1.938 -1.146 -7.432) 7.765 22.478 ( 1.938 1.146 -7.432) 7.765 ======================= Grid point 125 (64/170) ======================= q-point: (-0.25 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( -5.192 -7.508 0.083) 9.129 1.334 ( -5.192 7.508 0.083) 9.129 1.607 ( -11.376 -6.148 7.283) 14.841 1.607 ( -11.376 6.148 7.283) 14.841 2.062 ( -1.194 -2.398 -1.195) 2.934 2.062 ( -1.194 2.398 -1.195) 2.934 2.336 ( -3.498 -9.484 -0.259) 10.112 2.336 ( -3.498 9.484 -0.259) 10.112 2.613 ( -4.007 -6.960 -1.031) 8.097 2.613 ( -4.007 6.960 -1.031) 8.097 3.143 ( -2.905 -3.426 3.717) 5.830 3.143 ( -2.905 3.426 3.717) 5.830 3.637 ( 0.571 -3.753 -6.552) 7.572 3.637 ( 0.571 3.753 -6.552) 7.572 3.971 ( 0.677 -8.441 3.408) 9.128 3.971 ( 0.677 8.441 3.408) 9.128 4.317 ( -2.756 -4.517 1.209) 5.428 4.317 ( -2.756 4.517 1.209) 5.428 4.704 ( -2.389 -6.767 1.072) 7.256 4.704 ( -2.389 6.767 1.072) 7.256 5.324 ( -0.717 -9.003 1.516) 9.158 5.324 ( -0.717 9.003 1.516) 9.158 5.763 ( 2.305 -4.591 -1.237) 5.284 5.763 ( 2.305 4.591 -1.237) 5.284 5.901 ( -1.768 -3.821 -3.939) 5.765 5.901 ( -1.768 3.821 -3.939) 5.765 6.374 ( -8.159 -3.458 -7.953) 11.907 6.374 ( -8.159 3.458 -7.953) 11.907 6.876 ( -0.549 -1.879 -0.019) 1.958 6.876 ( -0.549 1.879 -0.019) 1.958 7.504 ( 4.020 -6.322 -2.788) 7.994 7.504 ( 4.020 6.322 -2.788) 7.994 8.061 ( -7.235 -9.157 1.126) 11.724 8.061 ( -7.235 9.157 1.126) 11.724 9.256 ( 2.142 -6.786 0.594) 7.141 9.256 ( 2.142 6.786 0.594) 7.141 9.936 ( 11.134 -13.947 0.309) 17.848 9.936 ( 11.134 13.947 0.309) 17.848 12.246 ( 3.697 -4.297 -2.476) 6.186 12.246 ( 3.697 4.297 -2.476) 6.186 12.549 ( 3.073 -9.514 -3.113) 10.472 12.549 ( 3.073 9.514 -3.113) 10.472 13.263 ( -6.498 -4.885 4.241) 9.169 13.263 ( -6.498 4.885 4.241) 9.169 15.356 ( 2.013 -20.442 1.391) 20.588 15.356 ( 2.013 20.442 1.391) 20.588 20.215 ( -0.873 -3.554 4.641) 5.911 20.215 ( -0.873 3.554 4.641) 5.911 20.682 ( -1.680 -3.625 1.765) 4.368 20.682 ( -1.680 3.625 1.765) 4.368 21.461 ( -2.021 -1.850 -0.559) 2.796 21.461 ( -2.021 1.850 -0.559) 2.796 22.476 ( 4.682 -2.421 -5.343) 7.505 22.476 ( 4.682 2.421 -5.343) 7.505 ======================= Grid point 127 (65/170) ======================= q-point: (-0.12 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( -4.489 -7.614 2.394) 9.158 1.263 ( -4.489 7.614 2.394) 9.158 1.483 ( -10.404 -8.649 7.616) 15.526 1.483 ( -10.404 8.649 7.616) 15.526 2.035 ( -1.354 -3.657 1.991) 4.378 2.035 ( -1.354 3.657 1.991) 4.378 2.274 ( -3.877 -5.055 1.535) 6.553 2.274 ( -3.877 5.055 1.535) 6.553 2.588 ( 1.554 -6.656 -1.320) 6.961 2.588 ( 1.554 6.656 -1.320) 6.961 3.121 ( -3.337 -2.775 3.345) 5.480 3.121 ( -3.337 2.775 3.345) 5.480 3.598 ( 0.726 -2.438 -1.673) 3.045 3.598 ( 0.726 2.438 -1.673) 3.045 4.040 ( 2.369 -7.031 2.428) 7.806 4.040 ( 2.369 7.031 2.428) 7.806 4.270 ( -2.707 -2.901 -1.504) 4.243 4.270 ( -2.707 2.901 -1.504) 4.243 4.669 ( -1.591 -8.917 -0.684) 9.084 4.669 ( -1.591 8.917 -0.684) 9.084 5.339 ( 0.075 -7.751 1.600) 7.914 5.339 ( 0.075 7.751 1.600) 7.914 5.679 ( -2.897 -2.770 -10.101) 10.867 5.679 ( -2.897 2.770 -10.101) 10.867 5.898 ( 1.489 -4.518 2.404) 5.330 5.898 ( 1.489 4.518 2.404) 5.330 6.249 ( -2.407 -3.657 4.335) 6.161 6.249 ( -2.407 3.657 4.335) 6.161 6.892 ( -0.219 -4.418 2.082) 4.889 6.892 ( -0.219 4.418 2.082) 4.889 7.563 ( 3.133 -3.160 1.558) 4.715 7.563 ( 3.133 3.160 1.558) 4.715 8.003 ( -2.188 -6.942 2.621) 7.736 8.003 ( -2.188 6.942 2.621) 7.736 9.270 ( 0.314 -8.374 -0.480) 8.393 9.270 ( 0.314 8.374 -0.480) 8.393 10.125 ( 9.269 -13.116 -0.051) 16.061 10.125 ( 9.269 13.116 -0.051) 16.061 12.264 ( 2.562 -4.584 -4.581) 6.968 12.264 ( 2.562 4.584 -4.581) 6.968 12.555 ( 0.758 -9.060 -3.720) 9.824 12.555 ( 0.758 9.060 -3.720) 9.824 13.183 ( -5.347 -3.262 1.682) 6.486 13.183 ( -5.347 3.262 1.682) 6.486 15.387 ( 0.692 -17.189 -0.101) 17.204 15.387 ( 0.692 17.189 -0.101) 17.204 20.220 ( -2.109 -3.119 1.766) 4.159 20.220 ( -2.109 3.119 1.766) 4.159 20.680 ( -1.169 -2.306 3.267) 4.166 20.680 ( -1.169 2.306 3.267) 4.166 21.420 ( -1.244 -3.011 -1.654) 3.654 21.420 ( -1.244 3.011 -1.654) 3.654 22.531 ( 4.878 -3.587 -1.267) 6.186 22.531 ( 4.878 3.587 -1.267) 6.186 ======================= Grid point 153 (66/170) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( -3.031 0.000 8.984) 9.481 0.948 ( -6.306 0.000 20.192) 21.154 1.481 ( -6.079 0.000 21.458) 22.302 1.637 ( 0.661 0.000 6.412) 6.446 1.708 ( 2.014 0.000 6.147) 6.469 1.887 ( 2.056 0.000 3.552) 4.104 2.140 ( 5.767 0.000 10.133) 11.659 2.169 ( 1.045 0.000 11.419) 11.467 2.259 ( 5.203 0.000 -1.809) 5.509 2.467 ( -5.414 0.000 12.020) 13.183 2.756 ( -3.272 0.000 3.743) 4.972 2.927 ( -4.136 0.000 11.871) 12.571 3.112 ( -7.244 0.000 0.864) 7.295 3.655 ( -1.356 0.000 -5.748) 5.906 3.799 ( 2.123 0.000 1.732) 2.740 3.849 ( 6.278 0.000 9.026) 10.994 3.996 ( 1.551 0.000 0.265) 1.573 4.218 ( -2.788 0.000 -5.648) 6.299 4.476 ( 8.204 0.000 -2.254) 8.508 4.560 ( -2.701 0.000 -5.604) 6.221 4.771 ( -0.863 0.000 6.275) 6.334 5.054 ( -1.416 0.000 7.405) 7.539 5.310 ( -1.938 0.000 -1.527) 2.467 5.416 ( -0.824 0.000 -2.755) 2.876 5.796 ( -3.684 0.000 2.560) 4.486 5.979 ( 10.299 0.000 -5.751) 11.796 6.284 ( 5.937 0.000 6.744) 8.985 6.490 ( -6.635 0.000 6.324) 9.166 6.792 ( 11.172 0.000 5.860) 12.615 7.091 ( 5.194 0.000 -2.844) 5.922 7.665 ( 3.746 0.000 3.666) 5.241 8.102 ( 10.185 0.000 2.083) 10.396 8.504 ( -1.145 0.000 4.329) 4.478 8.635 ( -3.518 0.000 11.312) 11.846 9.172 ( -4.054 0.000 -2.168) 4.597 9.481 ( -1.608 0.000 2.677) 3.123 9.831 ( -0.333 0.000 -4.998) 5.009 10.958 ( -3.274 0.000 -18.367) 18.656 12.000 ( 1.956 0.000 -3.243) 3.787 12.129 ( -4.761 0.000 -1.258) 4.925 12.346 ( 13.114 0.000 -3.296) 13.522 12.641 ( -5.024 0.000 -3.222) 5.968 12.904 ( 5.398 0.000 -7.790) 9.478 13.108 ( -1.659 0.000 1.472) 2.218 13.712 ( -0.953 0.000 0.760) 1.219 16.342 ( -26.867 0.000 -0.577) 26.873 20.036 ( -2.977 0.000 -1.503) 3.335 20.428 ( -1.280 0.000 3.913) 4.118 20.843 ( -3.744 0.000 4.927) 6.188 20.917 ( -0.105 0.000 -0.566) 0.575 21.039 ( -1.160 0.000 2.491) 2.748 21.620 ( 6.382 0.000 -1.981) 6.682 21.938 ( 17.759 0.000 -0.240) 17.761 23.258 ( -14.294 0.000 1.105) 14.336 ======================= Grid point 154 (67/170) ======================= q-point: ( 0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( 9.257 0.000 5.564) 10.801 1.151 ( 7.312 0.000 19.554) 20.876 1.576 ( 0.273 0.000 5.285) 5.292 1.707 ( 2.457 0.000 1.446) 2.851 1.807 ( 3.686 0.000 8.124) 8.921 1.983 ( 5.143 0.000 4.291) 6.698 2.259 ( 2.620 0.000 1.905) 3.240 2.304 ( 4.871 0.000 2.549) 5.498 2.441 ( 8.664 0.000 5.630) 10.332 2.547 ( -1.112 0.000 10.794) 10.852 2.714 ( -2.310 0.000 8.708) 9.009 2.988 ( -3.039 0.000 14.135) 14.458 3.066 ( 0.581 0.000 3.489) 3.537 3.603 ( 0.986 0.000 -4.556) 4.662 3.815 ( 0.016 0.000 -2.219) 2.219 3.860 ( -7.930 0.000 -2.623) 8.353 4.069 ( -2.920 0.000 7.279) 7.842 4.102 ( -1.478 0.000 -0.656) 1.617 4.448 ( -2.525 0.000 -5.318) 5.887 4.589 ( 2.628 0.000 2.000) 3.302 4.853 ( 3.374 0.000 1.604) 3.736 5.070 ( -1.031 0.000 5.034) 5.138 5.299 ( 0.355 0.000 -3.390) 3.408 5.421 ( 5.052 0.000 0.441) 5.071 5.755 ( -3.237 0.000 2.001) 3.805 5.807 ( -14.547 0.000 -5.236) 15.461 6.416 ( 3.093 0.000 -1.787) 3.572 6.655 ( 13.898 0.000 11.153) 17.820 6.866 ( -0.229 0.000 -6.839) 6.843 7.247 ( 7.078 0.000 4.282) 8.272 7.806 ( 5.726 0.000 6.478) 8.646 8.290 ( 10.483 0.000 -0.827) 10.516 8.420 ( -9.294 0.000 -3.099) 9.797 8.778 ( 7.120 0.000 12.791) 14.639 9.134 ( -1.052 0.000 3.945) 4.082 9.400 ( -10.662 0.000 4.679) 11.644 9.767 ( -2.643 0.000 -4.498) 5.217 10.630 ( -13.484 0.000 -18.825) 23.156 11.981 ( -0.199 0.000 -7.714) 7.716 12.091 ( 1.899 0.000 1.308) 2.305 12.460 ( 6.379 0.000 -7.181) 9.605 12.527 ( -4.083 0.000 -1.798) 4.462 12.931 ( 5.490 0.000 -7.435) 9.242 13.104 ( -1.113 0.000 4.759) 4.887 13.723 ( 0.978 0.000 1.137) 1.499 16.190 ( 1.713 0.000 5.099) 5.379 19.987 ( -1.758 0.000 -0.203) 1.770 20.445 ( -0.836 0.000 4.211) 4.294 20.812 ( -4.461 0.000 3.672) 5.778 20.914 ( 0.068 0.000 -0.199) 0.210 21.038 ( -0.970 0.000 1.266) 1.595 21.638 ( -0.887 0.000 0.799) 1.194 22.193 ( 14.778 0.000 -9.658) 17.654 23.034 ( -15.679 0.000 9.143) 18.151 ======================= Grid point 155 (68/170) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 10.074 0.000 2.996) 10.510 1.459 ( 7.388 0.000 13.682) 15.549 1.574 ( -0.825 0.000 -0.368) 0.903 1.766 ( 4.632 0.000 0.460) 4.655 1.984 ( 9.987 0.000 3.737) 10.663 2.113 ( 3.001 0.000 1.865) 3.533 2.270 ( -1.582 0.000 -1.366) 2.090 2.377 ( 1.118 0.000 -2.474) 2.715 2.436 ( 3.215 0.000 -2.900) 4.329 2.697 ( 3.515 0.000 4.116) 5.412 2.869 ( 2.631 0.000 18.749) 18.933 3.110 ( 0.863 0.000 17.195) 17.217 3.180 ( 5.325 0.000 6.488) 8.394 3.598 ( 2.518 0.000 -3.456) 4.276 3.682 ( -7.532 0.000 -1.866) 7.760 3.765 ( -2.170 0.000 -4.527) 5.020 3.943 ( -8.992 0.000 -0.619) 9.014 4.141 ( -4.771 0.000 5.647) 7.393 4.359 ( -2.799 0.000 -3.974) 4.861 4.612 ( -3.785 0.000 6.828) 7.807 4.861 ( 1.242 0.000 -4.437) 4.608 5.145 ( 5.098 0.000 -0.835) 5.166 5.266 ( -0.872 0.000 -0.791) 1.178 5.482 ( -0.724 0.000 -3.079) 3.163 5.498 ( -9.896 0.000 -6.395) 11.782 5.893 ( 9.467 0.000 12.179) 15.425 6.416 ( -1.822 0.000 0.512) 1.892 6.719 ( -6.852 0.000 -8.948) 11.271 6.955 ( 11.036 0.000 4.621) 11.964 7.337 ( 3.001 0.000 -3.958) 4.967 7.918 ( 3.958 0.000 -0.178) 3.962 8.059 ( -15.393 0.000 -18.665) 24.193 8.557 ( 11.827 0.000 5.663) 13.112 9.042 ( 7.447 0.000 11.802) 13.955 9.170 ( -0.215 0.000 3.642) 3.648 9.291 ( -8.674 0.000 15.347) 17.629 9.658 ( -6.073 0.000 -2.394) 6.528 10.200 ( -15.981 0.000 -17.645) 23.806 11.899 ( -0.138 0.000 -7.792) 7.793 12.173 ( 4.744 0.000 1.930) 5.122 12.438 ( -0.620 0.000 -2.264) 2.348 12.534 ( 6.038 0.000 -4.181) 7.345 12.943 ( 3.252 0.000 -6.591) 7.350 13.150 ( 0.321 0.000 5.362) 5.372 13.759 ( 1.208 0.000 2.131) 2.450 16.366 ( 11.419 0.000 5.302) 12.590 19.975 ( -0.619 0.000 1.967) 2.062 20.475 ( -0.591 0.000 4.533) 4.571 20.763 ( -4.662 0.000 3.118) 5.609 20.915 ( 0.094 0.000 0.276) 0.291 21.028 ( -0.957 0.000 -0.010) 0.957 21.632 ( -2.362 0.000 3.928) 4.584 22.243 ( 5.391 0.000 -16.166) 17.041 22.910 ( -9.419 0.000 10.153) 13.849 ======================= Grid point 156 (69/170) ======================= q-point: ( 0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 6.295 0.000 2.500) 6.773 1.531 ( 0.353 0.000 -1.900) 1.933 1.637 ( 1.689 0.000 4.952) 5.232 1.887 ( 1.998 0.000 6.549) 6.847 2.008 ( -7.430 0.000 -6.223) 9.692 2.205 ( 7.378 0.000 4.768) 8.785 2.223 ( -1.814 0.000 -3.194) 3.674 2.375 ( -1.083 0.000 -2.554) 2.774 2.458 ( 5.275 0.000 -7.965) 9.553 2.827 ( 7.725 0.000 9.018) 11.875 3.049 ( -0.173 0.000 13.012) 13.013 3.277 ( -3.237 0.000 7.795) 8.440 3.315 ( 4.686 0.000 16.617) 17.265 3.562 ( -5.460 0.000 -4.643) 7.167 3.626 ( 4.187 0.000 -3.599) 5.521 3.709 ( 1.086 0.000 -1.560) 1.901 3.776 ( -8.010 0.000 -3.474) 8.731 3.999 ( -14.750 0.000 2.762) 15.007 4.300 ( -0.529 0.000 -2.831) 2.880 4.619 ( -3.999 0.000 9.996) 10.766 4.869 ( 5.113 0.000 -5.468) 7.486 5.163 ( 0.812 0.000 -8.072) 8.113 5.273 ( 0.500 0.000 2.471) 2.521 5.296 ( -7.434 0.000 -5.792) 9.424 5.434 ( -1.172 0.000 0.792) 1.415 6.181 ( 7.418 0.000 8.303) 11.134 6.394 ( 1.743 0.000 -0.166) 1.751 6.514 ( -6.744 0.000 -8.850) 11.127 7.089 ( 1.307 0.000 -2.294) 2.640 7.266 ( -3.472 0.000 -12.243) 12.726 7.629 ( -9.032 0.000 -17.660) 19.836 7.976 ( 3.613 0.000 -0.973) 3.741 8.665 ( -0.960 0.000 -4.549) 4.649 9.151 ( -7.856 0.000 4.607) 9.107 9.223 ( 1.572 0.000 15.177) 15.259 9.463 ( 2.649 0.000 5.969) 6.531 9.500 ( -4.604 0.000 5.200) 6.945 9.884 ( -1.333 0.000 -9.497) 9.590 11.841 ( 1.143 0.000 -6.848) 6.943 12.257 ( 2.376 0.000 2.228) 3.257 12.429 ( 1.032 0.000 -1.180) 1.567 12.639 ( 9.438 0.000 -1.619) 9.576 12.918 ( 0.773 0.000 -6.506) 6.552 13.194 ( -0.789 0.000 4.322) 4.393 13.797 ( 0.404 0.000 3.017) 3.044 16.648 ( 13.644 0.000 9.306) 16.515 20.002 ( 0.490 0.000 4.183) 4.212 20.498 ( -1.483 0.000 3.925) 4.196 20.719 ( -3.917 0.000 3.812) 5.466 20.923 ( 0.318 0.000 0.706) 0.774 21.007 ( -0.877 0.000 -0.916) 1.268 21.618 ( -4.372 0.000 4.550) 6.310 22.116 ( -0.415 0.000 -18.905) 18.910 22.882 ( -3.369 0.000 7.059) 7.822 ======================= Grid point 157 (70/170) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 0.544 0.000 2.477) 2.536 1.517 ( -0.407 0.000 -0.577) 0.706 1.676 ( -6.712 0.000 -2.374) 7.119 1.750 ( -7.128 0.000 -0.479) 7.144 1.902 ( -6.756 0.000 -1.644) 6.953 2.054 ( -9.598 0.000 -5.398) 11.012 2.276 ( -2.048 0.000 -1.956) 2.832 2.394 ( 0.224 0.000 6.067) 6.072 2.497 ( 3.810 0.000 -2.156) 4.378 3.075 ( 5.420 0.000 12.772) 13.874 3.089 ( -9.094 0.000 9.397) 13.077 3.228 ( -9.586 0.000 9.436) 13.451 3.361 ( -5.547 0.000 -8.143) 9.853 3.511 ( 0.280 0.000 2.116) 2.134 3.584 ( -6.098 0.000 -5.051) 7.918 3.698 ( 0.008 0.000 1.916) 1.917 3.774 ( 7.417 0.000 6.521) 9.876 3.862 ( 2.348 0.000 -0.485) 2.398 4.274 ( -0.098 0.000 -2.694) 2.696 4.636 ( -4.150 0.000 7.239) 8.344 4.912 ( 1.071 0.000 -3.453) 3.615 4.981 ( -8.425 0.000 -8.043) 11.648 5.161 ( 2.812 0.000 -11.298) 11.643 5.378 ( 5.092 0.000 7.234) 8.846 5.477 ( 2.919 0.000 3.142) 4.289 6.197 ( -4.306 0.000 -0.714) 4.365 6.302 ( -5.516 0.000 -11.323) 12.595 6.557 ( 7.511 0.000 4.021) 8.520 6.838 ( -14.035 0.000 -19.087) 23.692 7.035 ( -6.138 0.000 -13.370) 14.711 7.642 ( 12.258 0.000 5.264) 13.341 8.003 ( 0.030 0.000 -1.783) 1.784 8.564 ( -2.134 0.000 -6.987) 7.306 8.896 ( -20.392 0.000 -6.292) 21.340 9.148 ( -11.575 0.000 5.299) 12.730 9.541 ( 9.588 0.000 5.959) 11.289 9.747 ( 4.216 0.000 12.567) 13.255 9.979 ( 16.254 0.000 -1.474) 16.320 11.813 ( 1.616 0.000 -4.418) 4.705 12.293 ( 0.104 0.000 1.241) 1.245 12.438 ( 0.642 0.000 -0.784) 1.013 12.802 ( 7.567 0.000 2.510) 7.973 12.856 ( 1.202 0.000 -9.097) 9.176 13.192 ( -3.179 0.000 2.532) 4.065 13.821 ( -1.042 0.000 3.201) 3.366 16.993 ( 14.400 0.000 13.192) 19.529 20.061 ( 0.945 0.000 5.460) 5.541 20.495 ( -2.277 0.000 2.871) 3.664 20.704 ( -2.632 0.000 5.030) 5.677 20.937 ( 0.227 0.000 0.839) 0.869 20.985 ( -0.345 0.000 -1.349) 1.393 21.543 ( -6.638 0.000 -1.796) 6.877 21.922 ( -3.248 0.000 -14.283) 14.648 22.926 ( 2.130 0.000 5.111) 5.538 ======================= Grid point 158 (71/170) ======================= q-point: (-0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( -7.537 0.000 2.648) 7.989 1.314 ( -21.549 0.000 -2.795) 21.730 1.522 ( -0.070 0.000 0.452) 0.457 1.725 ( -8.200 0.000 -4.685) 9.444 1.769 ( -2.717 0.000 2.605) 3.764 1.887 ( -5.450 0.000 3.269) 6.355 2.205 ( -4.469 0.000 -1.491) 4.711 2.331 ( -12.908 0.000 4.325) 13.614 2.507 ( -5.138 0.000 3.348) 6.132 2.887 ( -17.623 0.000 3.951) 18.061 3.023 ( -17.926 0.000 10.097) 20.574 3.146 ( -12.297 0.000 8.524) 14.963 3.314 ( 6.806 0.000 -7.018) 9.776 3.517 ( 0.830 0.000 -3.159) 3.266 3.531 ( -1.086 0.000 4.685) 4.809 3.736 ( 6.795 0.000 -2.455) 7.225 3.957 ( 8.464 0.000 3.657) 9.221 4.068 ( 13.541 0.000 4.522) 14.276 4.217 ( -3.245 0.000 -5.415) 6.313 4.609 ( -3.840 0.000 3.013) 4.880 4.714 ( -7.164 0.000 -1.433) 7.306 4.992 ( 4.291 0.000 -3.023) 5.249 5.153 ( 5.540 0.000 -5.751) 7.985 5.517 ( 5.617 0.000 -3.582) 6.662 5.570 ( 2.330 0.000 8.270) 8.592 6.045 ( -9.259 0.000 -6.159) 11.120 6.193 ( 0.565 0.000 -1.013) 1.160 6.448 ( -8.155 0.000 -14.155) 16.336 6.600 ( -6.561 0.000 -4.939) 8.212 6.941 ( 5.977 0.000 -2.215) 6.375 7.913 ( -0.113 0.000 -1.800) 1.803 7.981 ( 11.186 0.000 5.261) 12.362 8.354 ( -15.259 0.000 -12.233) 19.557 8.641 ( -3.944 0.000 5.901) 7.098 9.045 ( -5.314 0.000 3.262) 6.235 9.716 ( 3.706 0.000 5.536) 6.662 9.846 ( 3.607 0.000 -3.390) 4.950 10.318 ( 20.221 0.000 3.482) 20.519 11.822 ( 2.468 0.000 -0.701) 2.565 12.282 ( -2.202 0.000 -0.192) 2.211 12.420 ( -2.028 0.000 -1.643) 2.610 12.774 ( -0.489 0.000 -5.546) 5.567 12.950 ( 6.752 0.000 -1.237) 6.865 13.133 ( -5.344 0.000 1.056) 5.448 13.818 ( -2.570 0.000 2.664) 3.701 17.357 ( 14.605 0.000 9.612) 17.484 20.124 ( 0.285 0.000 5.533) 5.540 20.481 ( -1.751 0.000 1.267) 2.162 20.719 ( -1.554 0.000 6.278) 6.468 20.934 ( -0.673 0.000 -0.697) 0.969 20.982 ( 0.903 0.000 -0.275) 0.944 21.352 ( -8.224 0.000 -10.401) 13.260 21.784 ( -3.752 0.000 -2.088) 4.294 23.050 ( 6.954 0.000 4.963) 8.543 ======================= Grid point 159 (72/170) ======================= q-point: (-0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( -16.617 0.000 5.072) 17.374 1.013 ( -17.182 0.000 12.334) 21.151 1.507 ( -4.120 0.000 3.803) 5.607 1.600 ( -6.044 0.000 4.961) 7.819 1.690 ( -5.695 0.000 1.603) 5.917 1.928 ( 0.247 0.000 8.334) 8.338 2.014 ( -17.656 0.000 5.206) 18.408 2.201 ( -4.190 0.000 1.110) 4.335 2.325 ( -14.405 0.000 0.583) 14.417 2.740 ( -5.850 0.000 8.273) 10.132 2.787 ( -19.420 0.000 8.133) 21.054 3.021 ( -11.211 0.000 8.092) 13.827 3.354 ( 3.785 0.000 -6.624) 7.629 3.443 ( -5.079 0.000 6.283) 8.079 3.613 ( 3.857 0.000 3.040) 4.910 3.849 ( 9.297 0.000 -6.067) 11.101 3.992 ( -7.216 0.000 -4.287) 8.393 4.184 ( 9.974 0.000 -7.482) 12.468 4.288 ( 7.946 0.000 1.466) 8.081 4.592 ( 0.684 0.000 0.221) 0.719 4.722 ( 0.889 0.000 9.366) 9.408 5.010 ( 0.305 0.000 -1.635) 1.663 5.248 ( 7.838 0.000 0.362) 7.846 5.509 ( 0.525 0.000 -6.429) 6.451 5.609 ( -3.576 0.000 0.378) 3.596 5.901 ( -5.022 0.000 5.701) 7.598 6.201 ( -1.553 0.000 -1.133) 1.922 6.340 ( 1.857 0.000 5.088) 5.416 6.447 ( -2.752 0.000 -4.433) 5.218 7.073 ( 8.748 0.000 -1.523) 8.879 7.785 ( -2.864 0.000 -11.370) 11.726 8.033 ( -11.426 0.000 -2.476) 11.691 8.265 ( 11.526 0.000 4.379) 12.330 8.669 ( -5.809 0.000 11.953) 13.290 9.059 ( 4.604 0.000 3.392) 5.719 9.703 ( -5.753 0.000 -6.249) 8.494 9.866 ( 3.421 0.000 -3.451) 4.859 10.699 ( 21.482 0.000 0.698) 21.493 11.894 ( 4.928 0.000 3.338) 5.952 12.202 ( -5.839 0.000 -2.695) 6.431 12.338 ( -4.715 0.000 -2.160) 5.187 12.746 ( 2.014 0.000 -4.333) 4.779 12.979 ( -1.135 0.000 -4.811) 4.943 13.077 ( -1.345 0.000 2.754) 3.065 13.786 ( -3.399 0.000 1.808) 3.849 17.548 ( 3.905 0.000 -13.352) 13.911 20.163 ( -1.380 0.000 3.766) 4.011 20.439 ( -2.590 0.000 -2.010) 3.278 20.786 ( 0.586 0.000 10.404) 10.420 20.919 ( 0.180 0.000 -0.290) 0.341 21.004 ( 1.666 0.000 1.116) 2.006 21.157 ( -4.162 0.000 -3.087) 5.182 21.746 ( -2.086 0.000 3.674) 4.225 23.244 ( 10.447 0.000 3.472) 11.009 ======================= Grid point 160 (73/170) ======================= q-point: (-0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( -18.211 0.000 6.593) 19.368 0.945 ( -12.432 0.000 21.183) 24.562 1.466 ( -15.341 0.000 22.602) 27.316 1.584 ( -1.253 0.000 4.949) 5.105 1.634 ( -1.366 0.000 4.920) 5.107 1.861 ( -5.443 0.000 6.387) 8.391 2.013 ( 0.054 0.000 8.338) 8.338 2.117 ( -5.278 0.000 4.973) 7.252 2.225 ( -0.280 0.000 0.839) 0.885 2.548 ( -14.247 0.000 6.770) 15.773 2.747 ( -3.684 0.000 8.682) 9.431 2.929 ( -7.692 0.000 8.825) 11.706 3.249 ( -8.248 0.000 -0.282) 8.253 3.596 ( 9.525 0.000 9.814) 13.676 3.695 ( 2.220 0.000 2.825) 3.592 3.801 ( -4.006 0.000 -5.591) 6.878 3.962 ( 5.020 0.000 -3.360) 6.041 4.249 ( 6.028 0.000 -8.541) 10.454 4.383 ( 4.608 0.000 -1.513) 4.850 4.611 ( 2.113 0.000 -3.892) 4.428 4.781 ( -4.348 0.000 6.469) 7.794 5.004 ( -0.775 0.000 4.473) 4.540 5.358 ( 2.287 0.000 -1.818) 2.921 5.458 ( -2.343 0.000 -2.160) 3.187 5.641 ( 11.100 0.000 4.251) 11.886 5.900 ( -5.737 0.000 9.230) 10.868 6.198 ( -0.086 0.000 3.839) 3.840 6.469 ( 9.337 0.000 1.087) 9.400 6.499 ( 3.546 0.000 13.232) 13.699 7.139 ( 2.580 0.000 -9.033) 9.394 7.651 ( -1.551 0.000 -6.261) 6.450 7.956 ( 1.791 0.000 3.274) 3.731 8.436 ( 5.912 0.000 1.260) 6.045 8.644 ( -8.392 0.000 11.328) 14.098 9.209 ( 4.020 0.000 3.926) 5.619 9.504 ( -5.214 0.000 -6.869) 8.624 9.871 ( -0.078 0.000 -2.189) 2.190 10.998 ( 15.215 0.000 -10.222) 18.330 12.029 ( 1.374 0.000 -1.545) 2.068 12.109 ( 4.582 0.000 4.527) 6.441 12.239 ( -4.196 0.000 -2.482) 4.875 12.728 ( -1.090 0.000 -3.329) 3.503 12.908 ( 1.046 0.000 -6.517) 6.600 13.099 ( 0.688 0.000 1.651) 1.788 13.742 ( -3.039 0.000 0.996) 3.198 17.083 ( -33.170 0.000 -27.926) 43.360 20.115 ( -4.323 0.000 -1.600) 4.610 20.413 ( -1.178 0.000 3.443) 3.639 20.848 ( -2.646 0.000 6.322) 6.853 20.926 ( -0.230 0.000 -0.132) 0.265 21.036 ( -1.579 0.000 3.385) 3.735 21.324 ( 21.396 0.000 4.989) 21.970 21.769 ( 0.670 0.000 4.485) 4.535 23.390 ( 3.041 0.000 -3.288) 4.478 ======================= Grid point 161 (74/170) ======================= q-point: ( 0.00 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( -2.437 20.255 5.168) 21.045 1.039 ( -1.373 10.012 14.361) 17.560 1.469 ( -2.185 -1.097 16.315) 16.497 1.624 ( -1.770 2.854 6.215) 7.065 1.812 ( -2.024 1.138 3.726) 4.390 1.915 ( 1.816 3.196 2.766) 4.600 2.074 ( 4.641 2.592 9.738) 11.094 2.253 ( 0.767 4.376 9.366) 10.366 2.343 ( 2.066 5.103 5.096) 7.502 2.511 ( -4.038 3.539 8.191) 9.794 2.802 ( -2.085 3.754 3.429) 5.495 3.037 ( -6.561 5.897 8.574) 12.302 3.217 ( -3.479 11.011 -2.466) 11.808 3.625 ( 0.362 -1.953 -5.020) 5.399 3.814 ( 0.680 1.474 4.375) 4.666 3.918 ( 5.870 5.538 7.953) 11.330 4.006 ( 2.350 1.968 0.167) 3.069 4.272 ( -4.661 4.529 -4.179) 7.727 4.432 ( 1.330 -2.215 -3.188) 4.103 4.682 ( 5.398 9.912 -5.604) 12.601 4.813 ( -1.240 1.086 7.125) 7.313 5.107 ( -2.132 5.078 0.776) 5.562 5.234 ( -2.985 -2.262 -0.130) 3.747 5.459 ( -1.998 4.013 -0.933) 4.579 5.709 ( -4.404 -5.936 2.025) 7.664 6.172 ( 10.586 8.473 0.177) 13.561 6.376 ( 8.917 11.669 2.392) 14.879 6.554 ( -4.334 5.058 5.698) 8.765 6.786 ( 8.979 -0.173 6.874) 11.309 7.049 ( 3.253 -3.174 -3.255) 5.590 7.660 ( 2.061 -1.417 2.556) 3.576 7.991 ( 8.780 -8.886 4.819) 13.389 8.353 ( -8.275 -13.566 6.668) 17.233 8.708 ( 3.443 7.801 6.314) 10.610 9.079 ( 1.593 -7.235 5.651) 9.317 9.551 ( 0.611 2.616 -0.253) 2.698 9.895 ( -2.312 5.729 -4.028) 7.375 10.830 ( -3.992 -11.667 -14.321) 18.898 11.887 ( 1.564 -8.454 -0.922) 8.647 12.093 ( -2.271 -2.719 -3.945) 5.303 12.328 ( 8.616 0.698 -1.348) 8.749 12.659 ( -4.678 1.875 -3.563) 6.172 12.906 ( 4.738 0.874 -7.796) 9.164 13.057 ( -8.007 0.561 6.420) 10.278 14.086 ( 4.423 24.239 -12.491) 27.624 16.213 ( -18.312 -10.859 0.955) 21.311 20.046 ( -2.915 0.838 -1.756) 3.505 20.399 ( -1.436 -2.562 2.754) 4.027 20.833 ( -1.599 -2.592 3.365) 4.539 20.889 ( -2.108 -0.907 2.371) 3.300 21.068 ( -0.568 3.717 0.536) 3.798 21.594 ( 3.692 -2.594 -2.164) 5.004 22.118 ( 14.371 13.926 -0.817) 20.028 23.116 ( -10.418 -11.452 4.987) 16.265 ======================= Grid point 162 (75/170) ======================= q-point: ( 0.12 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( 4.717 17.710 5.337) 19.088 1.231 ( 7.100 5.763 13.091) 15.969 1.574 ( 1.044 1.380 6.073) 6.315 1.712 ( 5.619 -0.630 7.420) 9.328 1.793 ( -1.924 -0.265 0.705) 2.067 2.017 ( 6.862 0.958 2.250) 7.285 2.215 ( 2.849 1.706 5.180) 6.153 2.342 ( 2.933 1.478 0.880) 3.400 2.507 ( 8.239 4.039 7.114) 11.610 2.585 ( 0.275 3.503 9.646) 10.266 2.772 ( -3.204 4.768 6.419) 8.614 3.023 ( -4.622 2.637 10.248) 11.547 3.209 ( 2.521 12.969 3.631) 13.702 3.579 ( -0.296 -2.344 -4.854) 5.399 3.820 ( -2.726 1.947 0.230) 3.358 3.941 ( -4.165 5.907 -1.913) 7.477 4.070 ( -1.830 2.374 3.505) 4.612 4.180 ( -3.005 5.300 3.944) 7.258 4.410 ( 0.352 -1.307 -3.120) 3.401 4.718 ( 0.045 8.677 0.717) 8.707 4.888 ( 4.322 -0.265 -2.008) 4.773 5.101 ( 2.395 5.240 1.845) 6.050 5.234 ( 0.754 -6.103 1.639) 6.364 5.407 ( -1.986 7.426 -1.594) 7.851 5.676 ( -1.827 -6.578 4.675) 8.274 6.093 ( -10.988 19.623 -7.090) 23.581 6.472 ( 1.835 4.674 1.959) 5.390 6.716 ( 11.942 5.543 6.516) 14.690 6.815 ( -0.502 -4.534 -5.018) 6.781 7.224 ( 7.786 -1.888 4.604) 9.240 7.747 ( 3.007 -6.092 5.390) 8.672 8.198 ( 0.339 -13.433 0.648) 13.453 8.261 ( 2.878 -4.712 4.998) 7.448 8.875 ( 7.193 4.615 8.343) 11.943 9.151 ( 2.297 2.093 2.681) 4.104 9.463 ( -10.626 1.535 1.823) 10.890 9.796 ( -5.267 4.779 -3.026) 7.729 10.525 ( -13.682 -9.282 -16.046) 23.040 11.919 ( 3.095 -6.605 -4.018) 8.328 12.033 ( -0.896 -3.337 -0.523) 3.494 12.443 ( 8.244 -3.015 -5.287) 10.247 12.540 ( -4.707 1.948 -3.725) 6.311 12.918 ( 3.714 -0.285 -5.430) 6.584 13.060 ( 1.153 2.588 6.275) 6.885 14.012 ( -1.242 19.668 -6.587) 20.779 16.124 ( 2.243 -6.285 3.860) 7.709 19.995 ( -1.821 0.700 -0.285) 1.972 20.407 ( -0.774 -3.557 3.172) 4.828 20.813 ( -3.914 -0.191 3.481) 5.241 20.893 ( 0.030 -2.083 1.267) 2.438 21.063 ( -0.199 3.275 -0.273) 3.293 21.612 ( 0.545 -2.408 -0.017) 2.469 22.305 ( 10.298 9.299 -6.778) 15.442 22.966 ( -12.963 -5.850 8.593) 16.616 ======================= Grid point 163 (76/170) ======================= q-point: ( 0.25 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( 5.578 13.615 2.038) 14.854 1.419 ( 3.469 -4.754 4.748) 7.561 1.678 ( 4.080 9.453 5.281) 11.571 1.755 ( -0.088 -4.091 2.735) 4.922 1.941 ( 11.777 1.049 5.382) 12.991 2.154 ( 4.729 -2.788 0.943) 5.570 2.267 ( -0.439 5.397 3.330) 6.357 2.388 ( 3.669 2.608 -3.410) 5.647 2.538 ( -0.466 6.205 -4.074) 7.438 2.724 ( 4.463 1.848 3.293) 5.846 2.856 ( 0.996 0.339 14.119) 14.158 3.114 ( 2.227 -0.121 12.954) 13.145 3.347 ( 5.743 14.129 8.326) 17.376 3.520 ( -1.577 -4.826 -3.858) 6.376 3.761 ( -3.288 5.303 1.543) 6.428 3.841 ( -4.738 6.420 -3.063) 8.547 3.994 ( -6.425 5.305 -1.118) 8.407 4.164 ( -5.744 2.790 4.424) 7.768 4.400 ( 0.499 3.356 -2.033) 3.956 4.688 ( -5.717 5.393 4.893) 9.258 4.906 ( 3.380 2.565 -5.163) 6.683 5.171 ( 3.961 4.490 -2.463) 6.474 5.231 ( -3.096 -7.539 0.882) 8.197 5.377 ( -0.657 6.545 -1.997) 6.875 5.756 ( 1.232 1.956 4.232) 4.822 5.909 ( 0.963 13.174 -1.704) 13.319 6.487 ( -2.381 5.501 2.119) 6.358 6.675 ( -4.705 -3.503 -7.024) 9.151 6.984 ( 8.755 2.079 4.286) 9.968 7.303 ( 2.011 -2.927 -4.823) 5.989 7.786 ( -2.794 -11.864 -5.363) 13.316 8.009 ( -7.320 -3.260 -7.331) 10.861 8.548 ( 13.708 -2.377 9.764) 16.997 9.063 ( 0.665 -0.708 10.595) 10.639 9.173 ( -0.907 1.195 -3.141) 3.481 9.339 ( -5.004 2.957 11.525) 12.908 9.672 ( -6.040 2.453 -1.284) 6.645 10.114 ( -16.890 -6.962 -15.077) 23.687 11.890 ( 1.429 -0.561 -8.178) 8.321 12.084 ( 3.460 -7.693 4.208) 9.426 12.448 ( -2.652 0.340 -2.406) 3.597 12.534 ( 8.817 -1.831 -5.536) 10.571 12.940 ( 3.883 0.727 -4.321) 5.854 13.156 ( 2.946 4.911 5.176) 7.719 13.953 ( -1.498 14.882 -0.926) 14.986 16.273 ( 9.278 -8.772 4.605) 13.574 19.982 ( -0.549 0.684 1.923) 2.113 20.429 ( -0.446 -4.156 3.615) 5.526 20.771 ( -4.533 0.635 3.331) 5.661 20.907 ( 0.475 -1.409 0.928) 1.753 21.058 ( 0.483 3.710 -1.187) 3.925 21.622 ( -0.983 -1.125 2.854) 3.221 22.324 ( 2.630 6.995 -12.788) 14.811 22.858 ( -8.833 -4.588 8.602) 13.156 ======================= Grid point 164 (77/170) ======================= q-point: ( 0.38 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 3.728 7.314 0.481) 8.223 1.470 ( 1.087 -4.903 -0.517) 5.049 1.684 ( -2.027 1.978 2.392) 3.707 1.886 ( 1.976 3.307 6.692) 7.722 2.117 ( -6.660 -1.012 0.592) 6.763 2.169 ( 5.546 3.567 0.154) 6.596 2.267 ( 0.502 5.049 0.265) 5.080 2.399 ( 0.846 2.524 -4.149) 4.929 2.526 ( 3.271 5.361 -3.932) 7.409 2.840 ( 7.154 1.510 7.147) 10.225 3.007 ( 1.781 -1.446 9.285) 9.564 3.258 ( 1.596 -2.815 8.170) 8.788 3.460 ( -1.306 3.811 4.278) 5.877 3.535 ( 5.900 4.469 4.216) 8.518 3.680 ( -8.906 6.070 -1.788) 10.925 3.789 ( 0.253 7.359 2.556) 7.794 3.845 ( -7.723 6.497 -4.651) 11.113 4.070 ( -7.317 7.370 2.034) 10.583 4.367 ( -0.535 5.030 -3.927) 6.404 4.655 ( -4.667 2.777 8.287) 9.908 4.932 ( 4.918 4.009 -5.156) 8.176 5.163 ( -1.972 -2.476 -4.528) 5.524 5.193 ( 0.207 1.534 -2.136) 2.638 5.339 ( -2.036 4.450 1.517) 5.124 5.691 ( -2.864 19.318 -3.565) 19.852 6.074 ( 6.395 -6.987 3.305) 10.032 6.454 ( -1.347 1.227 -3.577) 4.014 6.562 ( -1.418 5.956 -0.991) 6.202 7.071 ( -1.387 -1.412 -4.200) 4.643 7.246 ( 0.075 -2.211 -8.241) 8.533 7.500 ( -9.640 -11.095 -17.674) 22.987 7.950 ( 1.017 -1.305 -1.080) 1.976 8.759 ( 2.499 5.163 -4.463) 7.267 9.019 ( -11.464 -11.819 16.593) 23.376 9.183 ( -0.642 0.153 3.693) 3.751 9.447 ( 0.391 -1.759 1.451) 2.314 9.615 ( 0.042 4.173 3.260) 5.295 9.770 ( -4.128 -6.223 -6.274) 9.754 11.847 ( 1.907 0.947 -7.127) 7.438 12.187 ( 2.861 -7.059 5.143) 9.190 12.400 ( -0.443 -1.703 -2.531) 3.082 12.654 ( 10.128 -1.399 -3.657) 10.859 12.960 ( 2.436 4.255 -3.683) 6.132 13.235 ( 1.211 6.657 3.838) 7.779 13.937 ( -1.228 11.876 2.066) 12.117 16.503 ( 10.541 -13.354 8.301) 18.930 20.011 ( 0.617 0.791 4.091) 4.212 20.449 ( -1.117 -4.177 3.429) 5.519 20.726 ( -4.170 0.526 3.572) 5.516 20.927 ( 0.748 -0.364 1.069) 1.354 21.061 ( 1.400 5.324 -1.627) 5.740 21.618 ( -3.556 -0.218 3.473) 4.975 22.194 ( -1.630 6.914 -15.309) 16.877 22.813 ( -4.115 -6.243 5.276) 9.151 ======================= Grid point 165 (78/170) ======================= q-point: (-0.50 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( -0.688 2.320 1.070) 2.646 1.461 ( -0.916 -2.076 -1.205) 2.569 1.685 ( -2.939 0.066 4.630) 5.484 1.795 ( -12.994 2.597 -5.312) 14.276 1.965 ( -6.347 5.622 -3.883) 9.326 2.136 ( -4.825 5.281 1.048) 7.230 2.294 ( -1.848 3.559 -2.603) 4.781 2.402 ( -0.252 -0.388 5.139) 5.160 2.554 ( 1.082 5.553 -0.263) 5.663 3.000 ( -4.234 -4.111 8.026) 9.962 3.102 ( 2.769 2.004 7.796) 8.513 3.302 ( -0.717 0.704 2.277) 2.489 3.419 ( -5.585 1.712 -6.315) 8.603 3.535 ( -4.311 3.520 3.031) 6.338 3.618 ( -9.033 4.594 -5.550) 11.555 3.725 ( 2.989 6.824 10.199) 12.630 3.824 ( 2.373 7.278 5.421) 9.381 4.048 ( 4.605 13.212 -0.375) 13.997 4.336 ( 0.957 5.617 -4.029) 6.979 4.656 ( -4.094 1.168 6.475) 7.749 4.929 ( -2.670 0.900 -6.140) 6.756 5.051 ( -2.058 4.384 -5.937) 7.662 5.176 ( 3.167 5.399 -5.933) 8.624 5.395 ( 3.736 1.886 7.484) 8.574 5.656 ( 1.135 15.538 -0.923) 15.607 6.109 ( -1.850 -6.028 -0.452) 6.322 6.309 ( -5.505 0.560 -10.070) 11.490 6.632 ( 2.786 4.685 -1.520) 5.658 6.821 ( -11.196 -0.825 -14.234) 18.129 7.056 ( -6.321 1.501 -13.958) 15.396 7.494 ( 11.386 -13.047 5.219) 18.086 7.946 ( -0.945 -3.849 -1.932) 4.409 8.668 ( -2.440 6.260 -7.932) 10.395 8.807 ( -19.387 -7.065 -0.039) 20.634 9.191 ( -8.414 3.348 2.769) 9.469 9.444 ( 3.485 -10.606 10.488) 15.318 9.665 ( 3.017 -5.338 -0.270) 6.138 9.947 ( 17.151 -2.227 3.056) 17.563 11.829 ( 2.228 1.984 -4.261) 5.201 12.250 ( -0.478 -4.829 3.256) 5.844 12.389 ( 1.371 -3.315 -1.734) 3.984 12.795 ( 9.559 -2.514 -3.708) 10.557 12.952 ( -0.007 7.525 -2.281) 7.863 13.265 ( -0.874 8.852 2.096) 9.139 13.941 ( -1.189 10.990 2.901) 11.428 16.772 ( 9.915 -19.579 11.530) 24.791 20.070 ( 1.058 0.833 5.204) 5.375 20.451 ( -1.918 -3.416 2.759) 4.792 20.700 ( -3.044 -0.445 4.303) 5.289 20.952 ( 0.914 0.627 1.312) 1.718 21.080 ( 2.706 8.069 -1.552) 8.651 21.544 ( -6.378 0.195 -1.847) 6.643 22.022 ( -3.350 8.795 -11.650) 14.976 22.821 ( 0.877 -9.433 3.304) 10.033 ======================= Grid point 166 (79/170) ======================= q-point: (-0.38 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( -9.694 -0.241 2.064) 9.914 1.328 ( -14.777 2.471 -1.411) 15.048 1.552 ( -5.076 1.854 -0.876) 5.475 1.695 ( -2.936 -2.176 5.198) 6.354 1.807 ( -6.645 8.178 -4.812) 11.584 2.083 ( -4.451 10.950 3.893) 12.445 2.211 ( -4.306 -0.175 -1.350) 4.516 2.380 ( -10.084 3.485 6.418) 12.450 2.531 ( -3.056 4.982 0.232) 5.849 2.880 ( -13.379 -1.453 2.772) 13.740 3.041 ( -18.184 3.013 9.953) 20.948 3.264 ( -9.098 6.949 4.385) 12.259 3.319 ( 5.007 0.456 -7.921) 9.382 3.500 ( -1.739 0.394 -1.081) 2.085 3.552 ( 2.431 0.488 0.502) 2.530 3.779 ( 1.425 8.374 4.902) 9.807 4.060 ( 8.524 4.420 6.974) 11.867 4.147 ( 6.020 7.026 0.533) 9.268 4.312 ( 2.736 10.778 -6.899) 13.086 4.629 ( -3.009 1.539 2.350) 4.117 4.772 ( -5.416 5.528 -1.942) 7.979 5.053 ( 5.909 -0.106 -5.089) 7.799 5.198 ( 3.482 9.467 -1.855) 10.256 5.550 ( 5.613 1.752 4.266) 7.264 5.686 ( 1.861 11.469 0.233) 11.621 5.993 ( -8.786 -3.849 -4.945) 10.791 6.201 ( 1.174 1.221 -2.864) 3.327 6.421 ( -7.844 -1.261 -12.023) 14.411 6.633 ( -7.679 1.918 -7.538) 10.930 6.972 ( 4.614 2.257 -1.351) 5.311 7.768 ( 7.601 -12.785 6.076) 16.067 7.888 ( 1.784 -6.932 -2.807) 7.689 8.362 ( -17.527 -1.207 -8.825) 19.661 8.726 ( 2.533 6.447 4.853) 8.457 9.065 ( -7.569 1.551 2.059) 7.996 9.534 ( -3.449 -16.838 3.069) 17.459 9.758 ( 7.298 -3.852 2.180) 8.535 10.284 ( 19.892 -4.667 0.263) 20.434 11.848 ( 3.042 2.880 -1.374) 4.409 12.235 ( -2.475 -3.751 -0.244) 4.501 12.391 ( -0.626 -2.486 -1.189) 2.826 12.864 ( 3.316 3.349 -7.016) 8.452 12.947 ( 1.099 0.785 0.445) 1.423 13.250 ( -2.359 11.735 1.452) 12.058 13.949 ( -0.164 12.695 1.725) 12.813 17.020 ( 6.728 -28.145 8.947) 30.289 20.129 ( 0.345 0.564 4.549) 4.597 20.440 ( -1.828 -2.421 1.929) 3.595 20.703 ( -1.712 -1.441 5.287) 5.742 20.979 ( 0.593 1.148 1.395) 1.902 21.132 ( 5.118 11.895 -1.068) 12.994 21.370 ( -7.426 1.830 -9.085) 11.876 21.891 ( -3.769 10.184 -2.818) 11.219 22.906 ( 5.132 -12.782 3.747) 14.275 ======================= Grid point 167 (80/170) ======================= q-point: (-0.25 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( -12.557 2.313 10.219) 16.354 1.106 ( -14.286 7.218 7.050) 17.490 1.491 ( -5.891 0.367 6.461) 8.751 1.650 ( -4.334 4.182 -2.641) 6.576 1.739 ( -1.201 3.841 5.531) 6.840 2.014 ( -8.047 4.478 4.360) 10.189 2.148 ( -8.509 6.387 6.080) 12.255 2.209 ( -10.115 7.049 3.594) 12.842 2.455 ( -5.939 11.552 -2.273) 13.187 2.708 ( -10.123 -2.456 8.740) 13.598 2.795 ( -17.097 2.143 7.282) 18.706 3.179 ( -6.755 8.605 4.575) 11.858 3.350 ( 4.715 0.892 -3.964) 6.224 3.457 ( -1.714 1.374 2.113) 3.048 3.628 ( 3.815 0.829 2.774) 4.789 3.854 ( 4.208 4.098 -1.695) 6.114 4.019 ( -6.478 2.849 -4.295) 8.279 4.316 ( 4.303 5.588 2.161) 7.377 4.348 ( 9.020 8.293 -6.099) 13.687 4.635 ( 2.539 4.916 -0.781) 5.588 4.761 ( -0.472 4.743 7.106) 8.557 5.110 ( 3.614 0.756 -2.633) 4.535 5.281 ( 7.128 8.067 0.535) 10.779 5.562 ( -1.759 2.512 -9.915) 10.379 5.717 ( -0.876 11.007 4.137) 11.791 5.848 ( -4.033 -3.925 4.149) 6.992 6.196 ( -0.066 1.386 -1.491) 2.037 6.352 ( 2.473 1.458 4.936) 5.710 6.463 ( -3.292 1.193 -4.085) 5.380 7.074 ( 6.847 -0.691 -1.058) 6.963 7.704 ( -2.517 -6.385 -7.418) 10.106 8.032 ( -9.154 -3.640 -0.687) 9.875 8.130 ( 8.686 -7.735 4.239) 12.379 8.803 ( -6.119 6.774 10.591) 13.982 9.005 ( -0.088 -4.215 1.163) 4.373 9.448 ( -3.203 -14.545 -3.163) 15.226 9.888 ( 4.504 -1.110 2.010) 5.056 10.615 ( 19.656 -8.365 -2.680) 21.529 11.899 ( 3.482 1.188 -1.007) 3.814 12.172 ( -2.723 -1.493 -2.755) 4.151 12.332 ( -4.649 -0.216 -1.105) 4.783 12.828 ( -1.316 5.349 -3.269) 6.405 12.948 ( 1.374 -3.425 -5.743) 6.826 13.220 ( -3.955 11.081 3.313) 12.223 13.979 ( 4.091 17.907 -1.746) 18.451 17.079 ( -5.679 -36.047 -4.041) 36.715 20.154 ( -1.193 -0.225 1.905) 2.259 20.421 ( -1.942 -0.945 1.037) 2.396 20.741 ( -0.081 -2.615 6.312) 6.832 20.986 ( -1.535 0.554 0.677) 1.767 21.154 ( -4.891 5.781 -6.008) 9.666 21.272 ( 9.594 13.332 -0.412) 16.430 21.847 ( -1.370 10.795 2.763) 11.227 23.052 ( 6.765 -16.111 4.587) 18.066 ======================= Grid point 168 (81/170) ======================= q-point: (-0.12 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( -7.208 17.109 7.279) 19.941 1.005 ( -8.943 5.286 16.565) 19.553 1.437 ( -9.027 -1.360 10.883) 14.205 1.612 ( -3.220 6.827 7.240) 10.460 1.776 ( 0.139 3.127 5.174) 6.047 1.928 ( -7.058 2.744 6.251) 9.820 2.004 ( -8.085 7.857 6.570) 13.049 2.191 ( -2.624 3.530 8.298) 9.392 2.339 ( -5.025 10.428 1.359) 11.656 2.571 ( -10.208 1.684 5.856) 11.888 2.760 ( -0.220 1.922 7.509) 7.754 3.097 ( -7.003 8.098 4.015) 11.435 3.318 ( -3.428 7.520 -3.828) 9.108 3.572 ( 7.169 -1.330 5.530) 9.151 3.730 ( 4.103 2.347 5.730) 7.428 3.822 ( -2.421 2.022 -3.658) 4.830 3.967 ( 3.173 3.437 -1.675) 4.969 4.335 ( 1.400 6.581 -4.221) 7.943 4.427 ( 3.248 1.851 -3.232) 4.941 4.660 ( 3.282 6.739 -4.908) 8.960 4.804 ( -3.980 2.663 8.439) 9.703 5.121 ( -0.018 5.967 -0.620) 5.999 5.327 ( -1.606 0.637 -6.914) 7.127 5.475 ( -0.622 0.967 1.439) 1.842 5.747 ( -1.526 0.243 3.788) 4.091 5.925 ( 8.653 7.812 5.459) 12.873 6.242 ( 3.876 6.420 2.835) 8.017 6.473 ( 8.798 0.196 5.921) 10.607 6.515 ( 3.796 1.597 9.685) 10.524 7.128 ( 1.780 -1.525 -7.311) 7.677 7.644 ( 0.576 -0.739 -3.352) 3.481 7.895 ( -2.107 -5.573 0.297) 5.965 8.331 ( 4.285 -9.181 7.618) 12.677 8.709 ( -8.924 3.817 4.022) 10.506 9.022 ( -4.056 -13.739 9.940) 17.436 9.471 ( 7.692 0.578 -2.280) 8.044 9.936 ( 0.553 2.616 -0.963) 2.842 10.860 ( 12.460 -12.378 -7.812) 19.222 11.907 ( -0.679 -5.317 -3.014) 6.150 12.137 ( 2.323 -0.488 -3.943) 4.602 12.251 ( -2.973 3.519 1.917) 4.990 12.758 ( -3.949 2.555 -2.126) 5.162 12.914 ( 3.163 -0.913 -8.758) 9.356 13.158 ( -8.038 4.877 4.822) 10.567 14.056 ( 9.399 24.008 -8.463) 27.136 16.704 ( -26.889 -28.362 -11.417) 40.716 20.117 ( -3.067 0.250 -1.586) 3.462 20.403 ( -1.773 -0.965 2.270) 3.037 20.801 ( 0.460 -3.912 5.052) 6.406 20.931 ( -4.409 0.300 1.054) 4.544 21.078 ( -1.287 4.714 -0.077) 4.887 21.479 ( 12.240 5.755 -1.207) 13.579 21.909 ( 6.271 14.628 3.510) 16.298 23.169 ( 0.861 -17.291 3.269) 17.618 ======================= Grid point 169 (82/170) ======================= q-point: ( 0.00 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( -2.572 2.173 3.607) 4.934 1.326 ( 0.902 7.502 9.456) 12.104 1.476 ( -3.689 0.121 10.631) 11.253 1.750 ( 0.501 9.063 -0.158) 9.078 1.823 ( 1.772 3.054 6.066) 7.019 1.960 ( -2.136 4.572 0.117) 5.048 2.242 ( -0.320 6.142 4.554) 7.653 2.310 ( -1.141 2.999 11.997) 12.419 2.476 ( -0.415 7.741 5.905) 9.745 2.572 ( -2.374 2.112 4.528) 5.532 2.891 ( -0.073 4.607 1.410) 4.818 3.129 ( -6.943 3.836 8.179) 11.394 3.448 ( 1.724 9.219 -4.151) 10.257 3.606 ( -0.400 0.886 -4.613) 4.715 3.859 ( 0.112 2.730 8.560) 8.986 4.042 ( 6.060 5.443 8.994) 12.134 4.072 ( -0.560 4.505 -1.852) 4.903 4.339 ( -3.888 0.420 -3.343) 5.145 4.443 ( -0.146 3.484 -2.297) 4.175 4.785 ( -3.696 -1.451 3.265) 5.141 4.907 ( 5.112 11.225 -5.495) 13.502 5.149 ( -4.240 0.636 -1.527) 4.551 5.362 ( 1.575 7.482 -1.870) 7.871 5.517 ( 0.382 2.586 1.063) 2.822 5.687 ( -3.240 6.109 -0.397) 6.926 6.218 ( 7.494 -1.772 8.975) 11.826 6.570 ( 7.951 1.738 7.396) 10.997 6.716 ( 1.622 9.881 0.098) 10.013 6.802 ( 9.054 2.437 12.282) 15.452 7.028 ( -1.479 2.508 -2.585) 3.894 7.552 ( -3.125 -8.846 -1.482) 9.498 7.831 ( 6.765 -4.992 5.636) 10.122 8.129 ( -6.057 -6.927 9.046) 12.903 8.725 ( 1.824 -11.061 8.660) 14.166 9.005 ( 9.674 4.048 2.943) 10.892 9.562 ( -2.764 -1.474 -1.813) 3.619 10.000 ( -0.486 3.754 2.819) 4.720 10.554 ( -3.436 -13.077 -8.778) 16.121 11.813 ( -0.644 2.345 -5.618) 6.121 12.073 ( 1.015 1.133 -6.695) 6.865 12.347 ( 2.982 0.314 -3.061) 4.285 12.643 ( -1.988 -4.628 -8.321) 9.727 12.964 ( 1.326 4.719 -3.419) 5.977 13.121 ( -4.906 3.859 4.970) 7.979 14.534 ( 1.663 20.049 -12.404) 23.634 15.963 ( -6.973 -13.040 0.858) 14.812 20.067 ( -2.813 1.335 -1.719) 3.557 20.330 ( -2.203 -4.032 0.628) 4.637 20.775 ( 0.152 -1.949 3.066) 3.636 20.874 ( -4.540 -1.183 5.976) 7.597 21.173 ( 0.031 5.575 -2.188) 5.989 21.521 ( 2.565 -4.271 -2.686) 5.660 22.385 ( 8.695 10.948 0.928) 14.011 22.889 ( -3.650 -9.408 6.180) 11.833 ======================= Grid point 170 (83/170) ======================= q-point: ( 0.12 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 7.437 -1.643 4.642) 8.919 1.358 ( -2.854 2.392 4.746) 6.033 1.569 ( 1.234 1.716 9.637) 9.866 1.817 ( 4.632 7.387 2.127) 8.975 1.882 ( 1.650 10.951 2.528) 11.360 1.968 ( 3.655 -2.199 0.828) 4.345 2.316 ( 1.423 4.474 5.552) 7.271 2.396 ( 5.401 3.387 2.252) 6.762 2.567 ( 4.130 2.067 5.089) 6.872 2.636 ( 0.781 0.794 8.455) 8.528 2.877 ( -2.281 5.075 2.491) 6.097 3.092 ( -4.558 3.443 5.830) 8.162 3.499 ( 3.222 12.414 1.242) 12.885 3.534 ( 0.147 0.193 -4.179) 4.186 3.886 ( -2.801 3.352 2.937) 5.264 4.056 ( -2.297 5.067 2.645) 6.160 4.176 ( 0.213 5.711 1.801) 5.992 4.244 ( -3.531 1.308 3.513) 5.149 4.454 ( 3.157 5.680 -2.671) 7.025 4.773 ( -2.679 -2.550 5.411) 6.554 4.935 ( 2.512 7.560 -3.379) 8.654 5.130 ( 2.703 -0.160 -0.946) 2.868 5.345 ( -0.395 7.949 -3.777) 8.810 5.549 ( 0.455 1.233 1.639) 2.101 5.630 ( -1.146 9.410 0.905) 9.523 6.378 ( 2.455 2.083 3.212) 4.548 6.629 ( -5.630 12.076 -3.238) 13.712 6.718 ( -1.593 -1.435 -0.387) 2.179 6.877 ( 5.114 9.514 4.194) 11.587 7.187 ( 7.787 -1.281 5.704) 9.737 7.557 ( 0.694 -11.385 3.481) 11.926 7.933 ( -1.825 -10.216 4.029) 11.132 8.203 ( 6.126 -2.280 10.241) 12.149 8.815 ( 3.804 -10.597 3.512) 11.794 9.223 ( 9.694 2.960 3.022) 10.576 9.425 ( -10.112 -3.099 -2.679) 10.910 9.937 ( -10.137 6.570 3.598) 12.604 10.322 ( -11.904 -8.577 -10.442) 18.009 11.800 ( 2.671 -1.664 -1.290) 3.401 12.026 ( 0.482 2.399 -6.393) 6.845 12.376 ( 4.386 -3.246 -3.949) 6.736 12.537 ( -0.403 -3.587 -10.097) 10.723 12.937 ( 0.839 2.875 -1.706) 3.447 13.188 ( 4.737 6.167 4.810) 9.144 14.411 ( -3.420 20.043 -7.950) 21.831 15.943 ( 2.061 -11.324 1.611) 11.622 20.016 ( -1.879 1.402 -0.280) 2.361 20.313 ( -0.800 -5.224 1.315) 5.446 20.799 ( -0.887 -0.864 3.027) 3.271 20.855 ( -2.999 -1.343 4.429) 5.515 21.160 ( 0.823 5.397 -2.090) 5.846 21.545 ( 2.431 -4.125 -1.241) 4.946 22.501 ( 4.514 8.692 -2.050) 10.006 22.839 ( -7.855 -5.663 5.919) 11.349 ======================= Grid point 171 (84/170) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( 2.364 -6.330 -0.971) 6.827 1.428 ( 4.914 11.044 5.031) 13.093 1.617 ( -2.249 -3.573 5.796) 7.170 1.920 ( 3.345 8.819 4.024) 10.254 2.007 ( 8.625 2.587 4.624) 10.123 2.045 ( 3.317 -1.881 1.524) 4.106 2.400 ( 4.421 5.765 3.200) 7.938 2.497 ( 0.708 4.802 0.124) 4.856 2.624 ( -0.569 2.745 0.504) 2.848 2.744 ( 7.860 -0.028 2.415) 8.223 2.893 ( -0.855 2.621 6.147) 6.737 3.118 ( 0.830 0.188 7.828) 7.874 3.427 ( -2.334 -1.974 -4.164) 5.165 3.651 ( 3.958 11.386 2.797) 12.374 3.887 ( 1.753 6.986 3.913) 8.197 4.004 ( -6.346 9.884 2.682) 12.049 4.138 ( -3.160 6.455 -0.497) 7.204 4.237 ( -3.335 4.125 3.885) 6.575 4.487 ( 3.262 5.295 -3.561) 7.167 4.758 ( -4.573 1.145 3.575) 5.916 4.958 ( 2.008 4.706 0.805) 5.180 5.147 ( -0.213 -0.938 -0.956) 1.356 5.311 ( 1.568 5.588 -5.052) 7.695 5.497 ( -3.744 4.249 -1.506) 5.860 5.753 ( 9.484 3.749 4.401) 11.107 6.332 ( -4.760 20.188 -4.895) 21.312 6.494 ( -5.063 -4.640 -4.184) 8.042 6.706 ( 0.513 7.890 1.492) 8.046 7.019 ( 3.535 1.671 5.254) 6.549 7.237 ( -0.879 -3.026 -6.269) 7.016 7.547 ( -3.950 -9.370 -4.702) 11.203 7.914 ( -1.133 -6.234 0.833) 6.391 8.454 ( 8.719 -6.519 12.429) 16.523 8.937 ( 5.517 -11.130 4.846) 13.334 9.173 ( -12.063 -1.968 -3.479) 12.708 9.383 ( 4.016 -0.117 0.965) 4.132 9.748 ( -14.115 4.298 2.244) 14.924 10.018 ( -12.686 -0.644 -6.771) 14.395 11.862 ( 5.045 -2.169 -1.610) 5.723 11.985 ( 0.605 0.712 -2.762) 2.915 12.405 ( -0.138 -4.565 -2.160) 5.053 12.479 ( 7.470 -3.358 -10.817) 13.568 12.981 ( 4.785 3.639 -0.588) 6.040 13.317 ( 4.231 6.771 5.501) 9.696 14.306 ( -2.887 20.159 -2.825) 20.560 16.027 ( 4.916 -14.768 2.851) 15.823 20.004 ( -0.415 1.537 1.949) 2.516 20.325 ( 0.040 -5.549 2.415) 6.052 20.783 ( -4.452 0.490 3.924) 5.955 20.867 ( 0.729 -2.068 1.949) 2.934 21.165 ( 2.126 5.954 -2.068) 6.652 21.579 ( 1.517 -3.231 1.011) 3.710 22.482 ( -1.448 7.420 -7.487) 10.640 22.755 ( -7.313 -4.624 4.639) 9.818 ======================= Grid point 172 (85/170) ======================= q-point: ( 0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 0.171 -2.663 -0.936) 2.828 1.490 ( 0.716 10.167 0.668) 10.214 1.673 ( 0.734 -2.752 6.335) 6.946 1.946 ( -4.386 -1.051 1.612) 4.790 2.111 ( 2.799 5.334 4.586) 7.571 2.215 ( 8.270 -0.059 2.220) 8.563 2.362 ( -9.493 1.831 -4.521) 10.673 2.487 ( 0.726 5.223 1.914) 5.610 2.648 ( 1.112 5.822 -0.896) 5.995 2.882 ( 5.114 1.717 4.566) 7.068 2.994 ( 6.373 -0.423 3.685) 7.374 3.210 ( 1.161 -2.065 6.567) 6.982 3.395 ( 1.215 -2.573 -0.965) 3.005 3.670 ( -1.968 4.128 1.160) 4.718 3.883 ( -5.348 10.973 -0.283) 12.210 3.997 ( -5.336 10.338 -1.544) 11.736 4.061 ( -0.581 14.859 8.081) 16.924 4.245 ( 0.644 7.334 2.947) 7.930 4.475 ( 1.884 6.182 -7.523) 9.918 4.698 ( -5.338 1.457 3.911) 6.776 5.010 ( 2.129 5.372 1.184) 5.899 5.144 ( 0.559 0.783 0.412) 1.047 5.291 ( 1.280 4.584 -4.865) 6.805 5.437 ( -2.012 4.816 0.532) 5.246 5.947 ( 8.280 -2.629 0.548) 8.704 6.176 ( -6.309 22.550 -5.834) 24.132 6.412 ( -0.837 -3.167 -4.353) 5.448 6.732 ( 0.959 9.375 1.240) 9.505 7.035 ( -5.344 -2.326 -6.269) 8.560 7.125 ( -1.092 -8.980 -4.097) 9.931 7.338 ( -7.830 -2.103 -13.836) 16.036 7.906 ( 0.455 -3.987 -2.849) 4.922 8.652 ( 0.156 -13.106 9.541) 16.212 8.915 ( -11.984 -0.422 4.607) 12.846 9.117 ( 5.232 -9.492 0.871) 10.873 9.361 ( -5.878 -6.527 -5.217) 10.216 9.573 ( -2.823 2.284 -0.076) 3.632 9.838 ( -4.743 5.640 2.016) 7.640 11.894 ( 3.733 3.677 -6.546) 8.384 12.037 ( 2.997 -5.244 5.496) 8.167 12.357 ( 0.569 -3.042 -6.133) 6.869 12.570 ( 9.759 -5.809 -4.741) 12.307 13.060 ( 3.941 5.684 0.207) 6.920 13.420 ( 1.782 7.309 5.486) 9.311 14.262 ( -1.044 20.346 0.216) 20.374 16.153 ( 5.120 -19.766 5.630) 21.180 20.036 ( 0.778 1.723 4.069) 4.486 20.353 ( -0.083 -4.915 3.381) 5.966 20.735 ( -4.704 0.396 3.299) 5.760 20.902 ( 1.217 -1.990 1.670) 2.869 21.196 ( 3.625 7.048 -1.840) 8.136 21.601 ( -1.172 -1.702 1.986) 2.866 22.351 ( -3.180 7.288 -10.118) 12.869 22.670 ( -5.586 -6.473 0.741) 8.582 ======================= Grid point 173 (86/170) ======================= q-point: (-0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( -2.447 0.106 0.862) 2.596 1.506 ( -0.231 6.634 0.463) 6.654 1.703 ( -3.361 0.114 3.165) 4.617 1.807 ( -10.390 0.680 -1.990) 10.601 2.109 ( -7.387 5.520 -2.882) 9.662 2.196 ( -1.361 1.567 0.752) 2.207 2.339 ( 0.882 -0.485 2.825) 2.999 2.437 ( -6.688 4.430 1.317) 8.130 2.679 ( 3.143 5.054 0.851) 6.013 2.937 ( -4.315 -2.428 4.343) 6.587 3.137 ( 4.826 0.525 2.280) 5.363 3.271 ( -1.448 -3.669 4.546) 6.019 3.416 ( 4.077 1.522 -3.797) 5.775 3.586 ( -6.527 2.638 -1.894) 7.290 3.763 ( -8.617 8.032 -6.246) 13.334 3.935 ( 2.015 11.038 8.751) 14.229 4.107 ( -4.717 16.741 7.911) 19.108 4.287 ( 1.101 8.585 1.400) 8.768 4.496 ( 8.271 8.696 -5.818) 13.338 4.661 ( -2.418 1.595 2.438) 3.786 4.990 ( -3.381 4.955 -2.979) 6.697 5.157 ( -0.571 7.035 -2.620) 7.529 5.297 ( 3.642 4.235 0.389) 5.599 5.469 ( 3.566 4.729 4.455) 7.411 5.959 ( -4.014 2.350 -2.030) 5.075 6.102 ( 1.661 12.442 -6.109) 13.960 6.324 ( -3.064 3.360 -5.353) 7.023 6.695 ( -7.102 1.878 -14.032) 15.838 6.819 ( -4.375 -0.246 -4.787) 6.490 7.058 ( -3.056 -3.148 -10.200) 11.104 7.232 ( 5.507 -8.161 5.526) 11.290 7.856 ( -2.248 -5.610 -5.758) 8.347 8.584 ( -17.530 -9.632 8.008) 21.545 8.782 ( 1.031 -1.083 -9.815) 9.928 9.114 ( -8.424 -12.322 2.538) 15.141 9.295 ( 1.877 0.105 6.555) 6.819 9.604 ( 1.501 -0.213 1.000) 1.816 9.896 ( 10.389 -2.669 0.087) 10.726 11.908 ( 3.735 5.802 -3.776) 7.866 12.128 ( 1.547 -5.235 4.121) 6.839 12.329 ( 2.942 -2.880 -6.292) 7.519 12.699 ( 8.813 -6.656 -2.777) 11.388 13.099 ( 0.091 7.489 0.095) 7.490 13.474 ( -0.997 7.582 4.802) 9.030 14.270 ( 1.297 21.332 1.051) 21.398 16.294 ( 3.796 -25.242 7.682) 26.656 20.096 ( 1.064 1.785 5.044) 5.456 20.380 ( -0.664 -3.411 3.846) 5.184 20.692 ( -3.644 -0.097 3.274) 4.900 20.935 ( 0.642 -2.480 1.909) 3.195 21.255 ( 5.115 8.022 -1.549) 9.640 21.555 ( -4.971 0.688 -1.174) 5.154 22.219 ( -2.117 8.952 -8.111) 12.264 22.598 ( -1.544 -10.730 -1.649) 10.965 ======================= Grid point 174 (87/170) ======================= q-point: (-0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( -7.636 2.436 1.116) 8.092 1.418 ( -9.744 6.613 -0.137) 11.777 1.589 ( -4.004 1.659 -2.775) 5.147 1.719 ( -5.116 4.355 7.589) 10.136 1.981 ( -5.510 6.194 -1.578) 8.439 2.134 ( -5.407 -2.572 -1.276) 6.122 2.290 ( -7.381 5.826 2.324) 9.686 2.404 ( -1.752 0.259 7.007) 7.227 2.730 ( 1.270 8.977 -0.736) 9.096 2.842 ( -9.896 -1.589 1.712) 10.168 3.071 ( -13.007 -1.030 3.542) 13.520 3.275 ( -0.395 -1.671 0.519) 1.794 3.438 ( -1.355 7.379 -3.060) 8.103 3.525 ( 1.598 1.493 2.399) 3.246 3.600 ( -2.101 5.517 -6.043) 8.448 4.031 ( -2.431 11.911 8.929) 15.083 4.170 ( 3.467 7.928 6.482) 10.812 4.263 ( -1.992 4.890 -3.269) 6.210 4.568 ( 0.956 5.606 -0.416) 5.702 4.687 ( 6.599 9.897 -2.917) 12.247 4.906 ( -1.808 4.998 -1.859) 5.631 5.094 ( -1.211 7.631 -3.103) 8.327 5.381 ( 3.528 6.862 1.882) 7.941 5.609 ( 5.863 3.761 4.147) 8.106 5.887 ( -5.523 2.524 2.137) 6.437 5.976 ( -3.969 3.584 -11.139) 12.356 6.303 ( 1.969 9.497 -3.339) 10.257 6.430 ( -3.611 3.964 -8.752) 10.264 6.650 ( -8.497 -0.472 -7.418) 11.289 6.996 ( 1.134 -0.415 -1.987) 2.325 7.484 ( 11.446 -13.068 11.019) 20.572 7.730 ( -3.819 -8.011 -7.031) 11.323 8.290 ( -16.210 -5.244 -2.679) 17.247 8.752 ( -3.951 -8.251 0.909) 9.193 9.047 ( 1.384 -1.719 0.263) 2.223 9.352 ( -3.574 2.589 4.709) 6.454 9.658 ( 3.696 -6.249 4.708) 8.653 10.137 ( 17.602 -8.496 -3.184) 19.802 11.948 ( 4.025 6.629 -2.915) 8.285 12.155 ( 0.017 -3.244 -0.383) 3.267 12.335 ( 2.708 -2.656 -4.132) 5.609 12.804 ( 6.403 -6.765 -3.451) 9.934 13.062 ( -3.970 8.517 -0.626) 9.418 13.469 ( -4.709 6.727 4.348) 9.292 14.326 ( 4.965 23.126 -0.382) 23.656 16.397 ( -0.151 -30.114 6.355) 30.777 20.150 ( 0.151 1.618 3.912) 4.236 20.399 ( -1.108 -1.776 3.633) 4.193 20.677 ( -2.005 -0.759 4.166) 4.685 20.954 ( -0.978 -3.550 2.452) 4.424 21.338 ( 5.621 7.280 -1.559) 9.329 21.424 ( -5.348 3.598 -5.591) 8.533 22.135 ( -1.160 11.286 -3.901) 11.997 22.609 ( 3.781 -14.188 0.016) 14.683 ======================= Grid point 175 (88/170) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( -7.338 4.851 6.673) 11.041 1.301 ( -7.138 11.164 5.505) 14.349 1.543 ( -3.242 2.049 5.322) 6.560 1.687 ( -3.865 3.601 0.945) 5.367 1.882 ( -5.987 6.185 2.402) 8.937 2.035 ( -4.920 0.203 0.992) 5.023 2.217 ( -6.360 2.989 7.758) 10.468 2.420 ( -5.192 6.373 5.476) 9.877 2.645 ( -11.340 -2.190 1.523) 11.650 2.727 ( -2.129 9.592 -0.555) 9.841 2.861 ( -13.052 5.250 4.177) 14.675 3.254 ( -5.445 0.745 4.505) 7.106 3.427 ( 3.343 4.826 0.087) 5.872 3.523 ( 1.356 5.268 -2.999) 6.211 3.641 ( 5.023 1.611 2.397) 5.794 4.018 ( -5.436 9.103 -0.189) 10.604 4.126 ( -3.956 8.420 0.289) 9.308 4.335 ( 5.917 -1.959 -0.442) 6.249 4.549 ( -2.115 6.313 0.940) 6.724 4.770 ( 5.797 8.319 -4.346) 11.032 4.914 ( 0.904 7.624 1.260) 7.780 5.107 ( 4.723 3.454 0.440) 5.867 5.443 ( 2.448 6.993 0.566) 7.430 5.613 ( -5.570 3.057 -9.464) 11.399 5.783 ( -2.484 -1.028 0.233) 2.699 5.921 ( -1.220 4.868 5.889) 7.737 6.268 ( -0.181 2.130 3.027) 3.705 6.443 ( 1.657 4.044 -4.685) 6.407 6.523 ( 2.924 10.347 0.445) 10.761 7.024 ( 2.920 -4.054 -0.194) 5.000 7.576 ( -0.319 -5.407 -2.031) 5.784 7.824 ( 6.557 -12.042 7.936) 15.842 8.054 ( -6.107 -3.264 -1.418) 7.068 8.636 ( -12.556 -16.060 8.450) 22.068 9.054 ( -2.481 3.311 -5.059) 6.536 9.382 ( 6.587 8.171 3.276) 10.994 9.790 ( 4.728 -8.595 6.344) 11.682 10.397 ( 16.567 -11.386 -5.269) 20.782 11.966 ( 1.977 5.073 -5.772) 7.934 12.143 ( 1.390 -0.865 -4.365) 4.662 12.331 ( 0.171 -0.087 -1.689) 1.700 12.840 ( 1.997 -6.899 -5.661) 9.145 12.974 ( -3.863 8.915 -1.392) 9.815 13.390 ( -9.150 4.693 4.373) 11.175 14.430 ( 9.335 24.025 -4.137) 26.105 16.369 ( -8.002 -30.965 1.326) 32.010 20.164 ( -1.242 1.245 1.044) 2.045 20.402 ( -2.069 -1.191 2.402) 3.387 20.699 ( -0.534 -1.326 4.954) 5.156 20.941 ( -3.716 -4.168 3.500) 6.590 21.276 ( -3.223 5.920 -5.912) 8.966 21.438 ( 5.525 3.438 -1.579) 6.696 22.124 ( 3.184 12.840 -1.209) 13.284 22.713 ( 5.647 -14.685 3.841) 16.196 ======================= Grid point 176 (89/170) ======================= q-point: (-0.12 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( -2.779 4.237 9.511) 10.777 1.254 ( -4.312 10.657 7.007) 13.463 1.498 ( -8.287 4.797 7.375) 12.086 1.709 ( 3.754 1.385 4.991) 6.397 1.807 ( -5.456 4.080 1.786) 7.043 1.992 ( -3.243 5.628 3.121) 7.206 2.216 ( -3.776 2.357 11.418) 12.255 2.312 ( -9.540 10.848 3.767) 14.929 2.502 ( -8.883 4.638 5.546) 11.454 2.622 ( -6.653 3.109 2.229) 7.675 2.844 ( 2.563 6.676 2.748) 7.660 3.185 ( -7.622 2.564 6.599) 10.403 3.474 ( 3.060 5.131 -6.829) 9.074 3.577 ( 4.030 2.326 3.560) 5.859 3.767 ( 4.137 2.643 5.675) 7.504 3.922 ( -1.464 6.879 0.563) 7.056 4.096 ( -1.348 8.317 0.595) 8.447 4.378 ( 1.422 -2.975 -2.772) 4.308 4.511 ( -3.067 4.605 -1.585) 5.755 4.802 ( 2.942 4.426 -4.393) 6.895 4.907 ( -2.296 8.971 0.828) 9.297 5.208 ( 3.821 3.220 -1.663) 5.266 5.395 ( -4.988 3.401 -5.899) 8.441 5.498 ( 0.577 4.031 1.462) 4.326 5.740 ( -2.640 2.100 -0.880) 3.487 6.023 ( 4.013 0.664 10.147) 10.932 6.382 ( 5.410 0.911 8.066) 9.755 6.496 ( 6.908 1.870 9.639) 12.005 6.640 ( 7.905 12.744 -1.292) 15.052 7.067 ( 1.495 -4.258 -0.789) 4.581 7.624 ( 3.427 -1.045 1.149) 3.763 7.756 ( -5.654 -6.908 -4.772) 10.122 8.134 ( -1.168 -8.463 10.302) 13.384 8.582 ( -2.738 -14.046 14.726) 20.534 8.948 ( -2.127 4.660 -3.349) 6.120 9.538 ( 6.526 4.484 0.081) 7.918 9.921 ( 4.245 -3.436 5.170) 7.520 10.572 ( 9.317 -13.775 -6.834) 17.979 11.904 ( -1.322 4.106 -8.076) 9.156 12.116 ( 1.559 -0.118 -7.224) 7.391 12.328 ( 0.919 2.532 -0.470) 2.735 12.759 ( -3.534 -4.525 -6.368) 8.574 12.946 ( 2.506 5.914 -3.203) 7.177 13.246 ( -11.791 3.001 4.369) 12.928 14.539 ( 9.499 22.198 -9.798) 26.057 16.163 ( -14.067 -23.117 -1.486) 27.101 20.130 ( -2.415 1.134 -1.380) 3.004 20.371 ( -3.020 -2.249 0.867) 3.864 20.739 ( 0.046 -1.848 4.306) 4.686 20.903 ( -4.966 -2.636 5.285) 7.716 21.202 ( -0.762 6.244 -3.443) 7.171 21.497 ( 3.436 -2.005 -2.438) 4.666 22.224 ( 8.352 13.031 0.511) 15.486 22.839 ( 2.712 -13.191 6.095) 14.782 ======================= Grid point 177 (90/170) ======================= q-point: ( 0.00 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -4.500 1.882 -1.194) 5.022 1.326 ( -7.580 -7.238 1.510) 10.589 1.505 ( -0.137 6.714 13.590) 15.159 1.777 ( 0.289 -3.833 6.286) 7.368 2.034 ( 5.404 12.200 1.882) 13.476 2.130 ( -2.850 9.740 3.891) 10.868 2.281 ( -1.295 -0.221 7.447) 7.562 2.355 ( -1.017 -0.026 6.797) 6.873 2.533 ( -1.343 -0.209 0.635) 1.500 2.635 ( -1.819 0.474 1.052) 2.154 3.003 ( -1.239 6.601 0.614) 6.744 3.176 ( -5.359 0.019 4.461) 6.972 3.570 ( 4.423 4.106 -4.337) 7.432 3.673 ( 1.630 3.332 -1.424) 3.973 3.908 ( -1.658 2.617 4.697) 5.627 4.101 ( -0.832 -0.068 -0.074) 0.838 4.177 ( 0.833 4.944 5.172) 7.204 4.339 ( -0.844 -0.496 1.605) 1.880 4.516 ( 1.150 5.390 3.295) 6.421 4.786 ( -5.148 -0.946 2.801) 5.937 5.116 ( 3.854 8.636 -4.595) 10.514 5.166 ( -5.192 2.203 -3.636) 6.710 5.442 ( 2.486 2.719 -4.358) 5.707 5.558 ( 3.415 -0.906 -3.922) 5.279 5.900 ( -0.215 10.698 0.585) 10.716 6.144 ( 6.134 -4.245 6.423) 9.843 6.576 ( 5.607 1.436 10.765) 12.222 6.764 ( 5.263 -1.749 14.519) 15.542 6.913 ( 4.508 4.430 4.122) 7.546 7.069 ( 3.156 -1.843 8.993) 9.707 7.461 ( -6.172 3.439 -7.184) 10.076 7.758 ( 3.459 -3.698 2.885) 5.827 8.069 ( -4.312 0.883 11.701) 12.501 8.421 ( 2.054 -15.191 8.775) 17.663 9.121 ( 7.249 6.045 -0.749) 9.469 9.458 ( -4.254 -8.626 -0.242) 9.621 10.080 ( 1.055 5.038 4.495) 6.834 10.345 ( -1.590 -7.768 -4.754) 9.245 11.946 ( 0.226 9.175 -9.579) 13.267 12.130 ( 3.959 3.547 -8.223) 9.792 12.332 ( 0.376 -1.522 -5.081) 5.317 12.500 ( -2.031 -8.302 -9.383) 12.692 13.059 ( -1.806 4.102 -1.443) 4.708 13.164 ( -1.332 -0.026 1.706) 2.165 14.939 ( -0.992 19.911 -6.170) 20.869 15.678 ( -2.102 -15.138 -0.425) 15.289 20.103 ( -2.889 2.240 -1.430) 3.925 20.242 ( -2.970 -4.340 -0.602) 5.294 20.763 ( -0.523 0.671 4.352) 4.434 20.839 ( -3.356 -2.110 6.039) 7.224 21.274 ( -0.043 4.219 -2.325) 4.818 21.431 ( 1.858 -4.276 -2.778) 5.428 22.556 ( 5.783 6.170 2.607) 8.849 22.746 ( 1.154 -5.006 4.036) 6.533 ======================= Grid point 178 (91/170) ======================= q-point: ( 0.12 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 4.242 -2.060 -0.352) 4.729 1.261 ( -0.951 -8.004 4.239) 9.107 1.662 ( 4.110 5.250 9.991) 12.012 1.852 ( 1.872 -3.234 5.124) 6.342 2.059 ( -4.062 10.501 1.048) 11.308 2.161 ( 3.774 12.523 1.222) 13.136 2.385 ( 5.459 -0.186 3.915) 6.720 2.420 ( 2.933 1.759 5.822) 6.752 2.561 ( 2.298 -2.862 5.445) 6.567 2.631 ( -0.573 -1.687 2.829) 3.344 2.977 ( -1.898 4.690 0.017) 5.059 3.121 ( -3.750 -1.017 1.164) 4.056 3.551 ( -2.229 3.669 -5.165) 6.716 3.717 ( 5.435 4.063 -1.940) 7.057 3.923 ( 0.591 2.327 3.261) 4.049 4.114 ( 2.361 -0.981 2.890) 3.858 4.238 ( -1.456 5.130 3.070) 6.153 4.340 ( -2.245 3.848 6.139) 7.585 4.569 ( 1.618 5.379 1.246) 5.754 4.767 ( -2.590 0.058 6.717) 7.199 5.072 ( -3.173 5.269 1.504) 6.331 5.169 ( 6.016 5.081 -6.121) 9.974 5.425 ( 0.457 2.203 -5.717) 6.144 5.574 ( 2.451 -0.474 -4.006) 4.720 5.879 ( -1.830 11.482 0.520) 11.639 6.261 ( 2.481 -9.225 1.134) 9.620 6.710 ( 1.346 2.676 4.578) 5.471 6.838 ( -0.370 2.832 2.016) 3.496 7.100 ( 2.404 6.877 9.150) 11.696 7.223 ( 3.926 6.398 6.201) 9.736 7.365 ( 1.489 -3.293 -0.501) 3.648 7.791 ( -2.267 -4.806 3.458) 6.340 8.150 ( 1.682 -1.975 11.284) 11.578 8.522 ( 3.491 -15.763 4.374) 16.727 9.241 ( 5.562 -0.034 -1.340) 5.721 9.348 ( -7.704 -4.694 -0.252) 9.025 10.045 ( -10.280 4.771 5.891) 12.773 10.209 ( -8.190 -3.422 -4.530) 9.965 11.880 ( 1.096 8.407 -6.035) 10.407 12.110 ( 2.283 4.881 -8.964) 10.459 12.296 ( 1.216 -5.041 -4.694) 6.995 12.408 ( 2.530 -7.726 -11.127) 13.781 13.029 ( 0.803 5.600 0.035) 5.657 13.233 ( 5.219 -1.721 2.520) 6.046 14.848 ( -3.255 22.293 -4.214) 22.920 15.664 ( 0.364 -15.972 -0.050) 15.976 20.054 ( -1.721 2.428 -0.115) 2.978 20.207 ( -0.995 -4.950 0.373) 5.063 20.792 ( -0.599 0.244 3.905) 3.959 20.831 ( -3.526 -1.190 4.976) 6.214 21.264 ( 1.308 4.672 -2.121) 5.295 21.451 ( 2.922 -4.817 -1.887) 5.942 22.639 ( 1.479 4.810 0.731) 5.085 22.753 ( -3.606 -2.811 2.657) 5.288 ======================= Grid point 179 (92/170) ======================= q-point: ( 0.25 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 5.098 -1.542 0.235) 5.331 1.382 ( 6.884 -8.513 6.098) 12.532 1.763 ( -0.958 9.056 4.560) 10.184 1.921 ( 0.779 -2.440 3.954) 4.711 2.053 ( 2.431 4.551 2.854) 5.896 2.206 ( 1.791 8.659 0.292) 8.847 2.461 ( -1.601 -2.234 5.139) 5.827 2.550 ( 2.151 4.482 2.379) 5.511 2.648 ( 2.787 -1.654 6.017) 6.834 2.732 ( 10.331 -0.899 1.699) 10.509 2.953 ( -1.273 3.196 0.476) 3.473 3.092 ( -0.494 -2.811 1.742) 3.344 3.462 ( -2.067 5.310 -3.404) 6.637 3.734 ( -0.355 -2.867 -2.029) 3.530 4.052 ( 7.363 8.120 4.327) 11.784 4.179 ( 0.748 2.328 3.545) 4.306 4.220 ( -1.281 6.877 2.213) 7.337 4.341 ( -3.969 3.481 3.890) 6.558 4.599 ( 1.333 5.606 0.245) 5.767 4.794 ( -0.464 1.059 4.633) 4.775 5.050 ( -1.488 3.968 0.402) 4.256 5.198 ( 2.439 5.929 -3.464) 7.287 5.376 ( 1.149 2.297 -5.668) 6.223 5.553 ( -1.539 0.069 -2.249) 2.726 5.883 ( 2.384 7.389 -0.303) 7.770 6.259 ( -0.800 -11.285 -2.596) 11.607 6.705 ( -3.255 8.073 -0.696) 8.732 6.852 ( 0.616 3.015 0.754) 3.169 7.139 ( -3.784 10.421 4.644) 12.020 7.227 ( -1.608 5.241 -7.994) 9.693 7.423 ( 0.426 -3.359 -0.258) 3.395 7.787 ( -1.341 -5.509 3.180) 6.501 8.298 ( 3.526 -6.932 9.097) 11.968 8.643 ( 6.507 -16.629 3.341) 18.167 9.145 ( -10.406 0.476 -1.083) 10.473 9.310 ( -0.759 -5.508 -1.183) 5.685 9.866 ( -13.935 6.709 3.235) 15.801 10.032 ( -8.913 -0.053 -0.830) 8.952 11.888 ( 3.888 5.156 -1.610) 6.655 12.055 ( 0.857 4.061 -7.166) 8.281 12.291 ( 2.976 -5.868 -5.705) 8.708 12.382 ( 6.397 -5.749 -10.657) 13.695 13.093 ( 4.523 6.947 2.527) 8.666 13.354 ( 4.583 -2.780 4.756) 7.166 14.772 ( -2.223 24.389 -1.701) 24.549 15.683 ( 1.237 -18.848 0.989) 18.915 20.047 ( -0.168 2.808 2.136) 3.532 20.214 ( 0.382 -5.132 2.212) 5.602 20.792 ( -4.118 0.413 4.154) 5.864 20.830 ( -0.469 -1.529 2.978) 3.381 21.282 ( 2.863 5.332 -1.735) 6.296 21.493 ( 3.022 -4.971 -0.287) 5.825 22.602 ( -3.733 4.198 -4.391) 7.130 22.689 ( -5.262 -1.889 0.536) 5.616 ======================= Grid point 180 (93/170) ======================= q-point: ( 0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 3.528 1.925 0.721) 4.083 1.522 ( 3.589 -7.656 3.658) 9.213 1.765 ( -1.701 10.968 3.072) 11.517 1.929 ( -3.892 0.084 3.382) 5.157 2.135 ( 3.459 -1.970 0.804) 4.061 2.250 ( 0.590 -1.450 1.050) 1.885 2.393 ( -5.937 5.014 -0.290) 7.776 2.560 ( -4.795 1.107 7.175) 8.701 2.748 ( 3.278 4.474 -2.835) 6.228 2.886 ( 2.397 -1.292 3.557) 4.479 2.985 ( 7.405 -0.223 -0.301) 7.414 3.122 ( 0.558 -6.114 3.050) 6.855 3.454 ( 2.673 7.451 0.593) 7.938 3.707 ( -2.203 -1.021 0.425) 2.465 4.085 ( -4.071 7.791 -0.982) 8.845 4.164 ( -6.698 4.787 0.148) 8.235 4.269 ( 2.344 4.659 1.689) 5.482 4.366 ( 3.835 4.354 7.102) 9.171 4.617 ( 0.497 7.988 -0.557) 8.023 4.812 ( 0.856 10.035 -1.710) 10.216 5.047 ( 0.610 -3.502 2.342) 4.257 5.226 ( 3.467 5.356 0.157) 6.382 5.359 ( 1.695 3.439 -4.116) 5.625 5.512 ( -1.494 1.920 1.597) 2.910 5.933 ( 4.337 1.745 -3.112) 5.616 6.212 ( -1.510 -9.141 -3.396) 9.867 6.622 ( -3.255 9.637 -3.889) 10.890 6.848 ( -1.736 -1.826 -1.575) 2.971 7.039 ( -7.632 6.098 -6.875) 11.945 7.087 ( -4.712 8.770 -5.597) 11.421 7.340 ( -4.627 1.308 -7.364) 8.795 7.776 ( -1.095 -8.545 -2.571) 8.990 8.422 ( 1.280 -7.249 8.695) 11.393 8.732 ( -2.099 -16.566 -0.261) 16.700 9.013 ( -3.227 2.069 2.872) 4.790 9.229 ( -5.396 -6.575 -1.758) 8.685 9.701 ( -6.099 7.738 0.816) 9.886 9.898 ( -6.608 -0.093 0.752) 6.651 11.966 ( 6.055 3.181 -1.394) 6.981 12.034 ( 1.553 3.881 -1.160) 4.339 12.280 ( 3.978 -3.592 -8.969) 10.448 12.435 ( 8.302 -7.214 -6.061) 12.558 13.198 ( 3.502 7.638 4.050) 9.327 13.462 ( 1.877 -2.561 6.300) 7.055 14.744 ( -0.050 25.432 -0.091) 25.432 15.724 ( 1.684 -21.957 2.647) 22.180 20.084 ( 0.869 3.121 4.323) 5.402 20.254 ( 0.734 -4.696 4.123) 6.293 20.749 ( -4.419 1.179 3.150) 5.553 20.849 ( -0.520 -3.020 2.633) 4.041 21.328 ( 4.007 5.788 -1.189) 7.139 21.540 ( 1.647 -4.250 1.065) 4.680 22.467 ( -4.359 4.141 -7.784) 9.836 22.580 ( -5.800 -2.534 -3.716) 7.340 ======================= Grid point 181 (94/170) ======================= q-point: (-0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 0.453 4.045 0.155) 4.073 1.569 ( -0.707 -5.179 0.019) 5.227 1.752 ( -2.877 9.034 1.836) 9.657 1.868 ( -6.694 4.203 5.248) 9.488 2.120 ( -8.069 -2.971 0.540) 8.616 2.184 ( -1.506 -3.100 -2.987) 4.560 2.384 ( 0.884 3.830 2.615) 4.721 2.495 ( -7.224 0.508 1.170) 7.336 2.747 ( 0.796 2.818 -1.056) 3.113 2.894 ( -3.989 -1.908 2.693) 5.177 3.102 ( 2.429 -2.930 -0.791) 3.887 3.176 ( 4.275 -4.447 2.438) 6.633 3.524 ( 2.992 7.150 1.396) 7.875 3.640 ( -4.030 2.027 -3.325) 5.604 3.925 ( -8.799 7.292 -5.400) 12.640 4.105 ( -1.676 3.392 4.216) 5.665 4.310 ( 0.213 4.524 1.307) 4.713 4.446 ( -3.925 3.013 8.148) 9.533 4.602 ( -0.028 8.971 -1.371) 9.075 4.861 ( 7.456 12.288 -4.594) 15.090 5.027 ( -4.859 -0.974 1.543) 5.190 5.343 ( 5.931 -0.508 0.698) 5.993 5.373 ( 3.997 12.116 0.466) 12.767 5.560 ( 3.962 4.091 4.299) 7.136 5.943 ( 0.346 -0.530 -3.838) 3.890 6.129 ( -4.320 -6.156 -4.765) 8.904 6.545 ( -1.537 6.277 -4.350) 7.790 6.705 ( -7.932 -3.191 -10.433) 13.489 6.838 ( -5.196 7.027 -9.534) 12.934 7.008 ( -0.328 1.499 -3.110) 3.468 7.207 ( -3.032 4.371 -0.777) 5.376 7.697 ( -3.134 -10.025 -6.561) 12.385 8.428 ( -12.514 -4.706 6.252) 14.759 8.610 ( -5.211 -12.316 -2.386) 13.584 9.008 ( 0.283 1.077 -0.213) 1.134 9.225 ( 4.667 -6.610 3.161) 8.687 9.666 ( -2.096 5.143 2.174) 5.964 9.841 ( 1.895 -2.872 -0.817) 3.536 12.039 ( 6.222 4.946 -5.662) 9.759 12.085 ( 1.905 1.721 3.828) 4.609 12.276 ( 5.346 -1.336 -8.784) 10.370 12.537 ( 8.000 -8.927 -3.083) 12.377 13.264 ( -0.401 8.407 3.816) 9.242 13.524 ( -1.752 -2.038 6.387) 6.929 14.766 ( 2.392 25.699 0.400) 25.813 15.783 ( 1.492 -24.546 3.754) 24.876 20.147 ( 0.889 3.254 5.413) 6.378 20.308 ( 0.298 -3.762 5.334) 6.535 20.706 ( -3.673 1.660 2.811) 4.914 20.858 ( -1.237 -4.643 2.558) 5.443 21.389 ( 3.990 5.264 -0.913) 6.668 21.550 ( -1.652 -1.724 0.428) 2.425 22.348 ( -0.641 3.574 -7.648) 8.466 22.445 ( -3.386 -3.762 -6.744) 8.432 ======================= Grid point 182 (95/170) ======================= q-point: (-0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( -3.948 4.759 -1.166) 6.292 1.495 ( -3.993 -2.368 -2.718) 5.380 1.700 ( -6.460 10.612 3.862) 13.010 1.826 ( -5.043 5.165 6.881) 9.972 2.032 ( -4.136 0.164 4.867) 6.389 2.099 ( -4.826 -0.478 -2.755) 5.577 2.350 ( -7.975 -0.150 2.058) 8.237 2.439 ( 1.804 1.427 -0.236) 2.313 2.710 ( -7.038 -4.904 0.715) 8.608 2.834 ( -4.117 -3.718 0.055) 5.547 3.085 ( -2.182 4.162 0.599) 4.738 3.247 ( 1.359 -1.773 1.041) 2.465 3.531 ( -2.873 2.772 -1.340) 4.211 3.582 ( 2.886 2.227 -4.088) 5.477 3.774 ( -4.093 11.024 -1.047) 11.806 4.143 ( -0.074 -1.422 5.491) 5.673 4.299 ( -2.035 4.404 0.095) 4.852 4.414 ( -6.421 5.885 5.288) 10.189 4.590 ( -0.670 4.127 -0.964) 4.290 4.891 ( 0.026 -2.916 -1.623) 3.337 5.010 ( 2.564 14.825 -1.377) 15.108 5.342 ( -0.434 10.476 -1.536) 10.597 5.505 ( 5.429 6.162 -0.130) 8.213 5.683 ( 4.870 3.581 2.141) 6.413 5.895 ( -2.453 -0.139 -3.558) 4.324 5.995 ( -5.620 -1.560 -2.010) 6.169 6.393 ( -8.132 1.799 -6.227) 10.399 6.549 ( -4.378 -3.592 -6.645) 8.731 6.726 ( 1.914 11.412 -2.572) 11.854 6.954 ( -1.340 -3.466 -3.522) 5.120 7.318 ( 8.954 -1.091 9.556) 13.141 7.574 ( -2.685 -7.221 -6.580) 10.132 8.193 ( -13.409 -2.605 -1.822) 13.781 8.483 ( -11.302 -13.972 4.244) 18.465 9.079 ( 6.847 3.617 -2.299) 8.077 9.362 ( 7.007 -7.152 3.710) 10.678 9.625 ( -3.262 6.746 2.631) 7.941 9.971 ( 12.209 -7.801 -0.952) 14.520 12.075 ( 4.183 3.849 -6.513) 8.645 12.137 ( 3.236 1.621 -2.094) 4.182 12.305 ( 5.109 1.315 -4.726) 7.083 12.634 ( 6.094 -9.454 -2.908) 11.617 13.249 ( -4.599 9.212 2.427) 10.579 13.512 ( -6.059 -1.850 5.348) 8.291 14.829 ( 4.756 24.985 -0.337) 25.436 15.830 ( -0.178 -25.617 3.115) 25.807 20.200 ( -0.294 3.278 4.378) 5.477 20.354 ( -0.775 -2.936 5.048) 5.890 20.683 ( -2.274 1.543 3.537) 4.479 20.853 ( -2.255 -5.671 2.982) 6.792 21.429 ( 1.204 2.899 -2.217) 3.843 21.496 ( -3.007 1.784 -1.287) 3.725 22.296 ( 1.107 4.252 -5.538) 7.069 22.398 ( 4.906 -5.625 -4.335) 8.632 ======================= Grid point 183 (96/170) ======================= q-point: (-0.25 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( -3.789 6.403 2.237) 7.769 1.448 ( -1.861 -2.246 2.360) 3.752 1.608 ( -9.870 9.350 6.207) 14.946 1.792 ( -5.591 3.787 5.091) 8.457 1.962 ( -4.723 4.115 0.050) 6.264 2.094 ( 0.245 4.213 6.343) 7.619 2.253 ( -6.411 0.520 4.844) 8.053 2.469 ( -0.666 -1.491 2.339) 2.853 2.556 ( -9.163 -3.572 0.996) 9.885 2.743 ( -5.216 -5.278 -0.594) 7.445 3.058 ( -2.471 9.836 1.335) 10.229 3.260 ( -2.760 -0.635 3.760) 4.707 3.502 ( 0.907 2.914 0.014) 3.052 3.587 ( 1.954 -0.038 -2.883) 3.483 3.777 ( 2.858 11.260 2.612) 11.907 4.155 ( -5.176 2.864 1.996) 6.244 4.252 ( 1.742 -2.357 -5.338) 6.090 4.346 ( -5.708 7.145 3.970) 9.969 4.566 ( -2.458 0.580 1.142) 2.772 4.885 ( -1.818 -5.296 2.548) 6.152 5.042 ( 4.707 13.993 -4.039) 15.306 5.336 ( 0.973 13.091 -1.039) 13.169 5.545 ( 1.931 1.027 -4.085) 4.634 5.678 ( -5.932 2.725 -8.023) 10.343 5.802 ( 1.243 3.442 -2.065) 4.202 5.954 ( -3.183 -0.896 6.122) 6.958 6.286 ( -2.794 1.277 4.384) 5.353 6.428 ( -3.404 -3.293 0.904) 4.822 6.797 ( 5.501 9.709 -1.553) 11.267 6.940 ( 1.215 -3.065 0.720) 3.375 7.501 ( 3.366 -1.759 2.071) 4.326 7.617 ( 7.592 -7.575 6.983) 12.797 8.003 ( -6.378 0.346 0.551) 6.411 8.341 ( -10.387 -12.447 7.111) 17.703 9.108 ( 0.516 3.676 -5.137) 6.338 9.483 ( 2.505 -10.037 1.469) 10.449 9.700 ( 9.010 10.189 5.396) 14.633 10.180 ( 12.801 -10.236 -2.215) 16.539 12.064 ( 2.487 3.769 -7.813) 9.024 12.156 ( 4.296 1.051 -7.989) 9.131 12.347 ( 3.140 3.182 -2.285) 5.021 12.674 ( 2.588 -9.032 -5.180) 10.728 13.166 ( -6.141 9.198 0.893) 11.096 13.416 ( -9.823 -1.800 3.879) 10.713 14.912 ( 5.963 22.828 -2.384) 23.714 15.820 ( -3.284 -23.673 0.924) 23.917 20.208 ( -1.941 3.055 1.456) 3.901 20.361 ( -2.808 -2.999 2.640) 4.884 20.695 ( -0.907 1.123 4.803) 5.015 20.841 ( -2.940 -5.129 4.453) 7.402 21.372 ( -2.451 3.481 -3.990) 5.835 21.463 ( -0.531 -0.511 -1.510) 1.680 22.311 ( 5.579 5.877 -2.922) 8.614 22.501 ( 7.752 -6.309 0.955) 10.040 ======================= Grid point 184 (97/170) ======================= q-point: (-0.12 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( -2.533 4.978 2.711) 6.209 1.419 ( -6.287 0.203 4.114) 7.516 1.492 ( -9.650 2.903 8.513) 13.192 1.749 ( -4.098 -0.753 5.881) 7.208 1.949 ( 1.970 9.718 1.759) 10.071 2.126 ( -3.103 5.907 6.243) 9.138 2.244 ( -2.716 1.193 9.384) 9.842 2.383 ( -7.322 -1.743 2.662) 7.984 2.532 ( -0.181 -0.002 3.130) 3.135 2.672 ( -2.901 -1.183 -0.162) 3.137 3.024 ( -2.412 9.785 0.997) 10.127 3.223 ( -5.701 0.508 5.507) 7.942 3.538 ( 3.770 2.591 -3.228) 5.599 3.622 ( 2.705 0.517 2.079) 3.450 3.880 ( 3.041 8.463 4.285) 9.961 4.061 ( -2.618 6.370 0.580) 6.912 4.239 ( -2.562 -0.293 -3.188) 4.101 4.313 ( 0.437 -0.782 1.955) 2.151 4.519 ( -3.621 1.331 1.363) 4.091 4.855 ( -3.768 -3.201 1.083) 5.061 5.091 ( 4.365 10.249 -4.502) 12.015 5.308 ( -3.528 7.452 -4.673) 9.477 5.474 ( -3.379 3.577 -5.926) 7.702 5.541 ( 1.567 -2.200 -3.847) 4.701 5.864 ( 4.479 8.100 -0.703) 9.283 5.994 ( 1.160 -2.613 9.068) 9.508 6.374 ( 3.734 0.838 11.952) 12.550 6.505 ( 4.747 -1.349 13.243) 14.133 6.861 ( 3.329 6.275 -0.852) 7.154 6.980 ( 1.209 -3.392 3.306) 4.889 7.602 ( 1.263 -0.926 0.584) 1.671 7.661 ( 0.339 -2.572 -1.648) 3.073 8.031 ( -1.690 -0.671 11.623) 11.764 8.306 ( -1.888 -11.864 10.966) 16.265 9.065 ( 1.744 6.843 -4.563) 8.408 9.500 ( -1.069 -10.123 0.681) 10.202 9.934 ( 10.138 7.150 4.889) 13.335 10.332 ( 7.568 -10.163 -3.950) 13.273 12.021 ( 1.562 6.190 -9.333) 11.307 12.143 ( 3.880 1.827 -9.303) 10.243 12.360 ( 1.327 1.776 -3.540) 4.177 12.620 ( -1.889 -8.075 -7.586) 11.239 13.089 ( -2.382 6.820 -0.569) 7.246 13.266 ( -10.350 -1.106 2.422) 10.687 14.968 ( 3.924 20.150 -5.130) 21.160 15.746 ( -4.778 -18.705 -0.567) 19.314 20.166 ( -2.896 2.510 -0.950) 3.948 20.310 ( -4.117 -3.648 0.005) 5.501 20.730 ( -0.558 0.872 4.991) 5.097 20.838 ( -3.067 -3.468 5.960) 7.547 21.308 ( -1.208 4.046 -2.995) 5.177 21.439 ( 0.197 -3.181 -2.622) 4.127 22.420 ( 7.625 6.868 0.757) 10.290 22.646 ( 5.872 -6.399 3.789) 9.475 ======================= Grid point 185 (98/170) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( -6.989 -6.218 -1.344) 9.450 1.174 ( -6.989 6.218 -1.344) 9.450 1.660 ( -1.019 -7.254 10.505) 12.806 1.660 ( -1.019 7.254 10.505) 12.806 2.223 ( 3.603 -5.664 5.676) 8.791 2.223 ( 3.603 5.664 5.676) 8.791 2.298 ( -2.154 -5.332 5.082) 7.674 2.298 ( -2.154 5.332 5.082) 7.674 2.573 ( -1.645 -4.228 -0.662) 4.585 2.573 ( -1.645 4.228 -0.662) 4.585 3.125 ( -3.942 -4.660 0.858) 6.164 3.125 ( -3.942 4.660 0.858) 6.164 3.656 ( 4.474 -3.903 -2.654) 6.503 3.656 ( 4.474 3.903 -2.654) 6.503 4.015 ( -3.547 -6.703 -0.408) 7.595 4.015 ( -3.547 6.703 -0.408) 7.595 4.286 ( 1.644 -4.584 6.621) 8.219 4.286 ( 1.644 4.584 6.621) 8.219 4.678 ( -1.403 -8.511 3.573) 9.336 4.678 ( -1.403 8.511 3.573) 9.336 5.221 ( -3.111 -0.748 -2.277) 3.928 5.221 ( -3.111 0.748 -2.277) 3.928 5.493 ( 4.942 -3.786 -7.280) 9.579 5.493 ( 4.942 3.786 -7.280) 9.579 6.054 ( 2.853 -5.366 2.450) 6.553 6.054 ( 2.853 5.366 2.450) 6.553 6.672 ( 5.230 -6.596 13.411) 15.834 6.672 ( 5.230 6.596 13.411) 15.834 6.989 ( 3.314 -4.155 7.704) 9.359 6.989 ( 3.314 4.155 7.704) 9.359 7.624 ( -0.772 -9.298 -0.540) 9.345 7.624 ( -0.772 9.298 -0.540) 9.345 8.171 ( -1.506 -8.884 9.713) 13.249 8.171 ( -1.506 8.884 9.713) 13.249 9.267 ( 1.185 -8.683 -0.450) 8.775 9.267 ( 1.185 8.683 -0.450) 8.775 10.203 ( -0.048 -6.588 0.432) 6.602 10.203 ( -0.048 6.588 0.432) 6.602 12.124 ( 4.537 -6.128 -9.858) 12.463 12.124 ( 4.537 6.128 -9.858) 12.463 12.350 ( -2.863 -5.012 -7.268) 9.282 12.350 ( -2.863 5.012 -7.268) 9.282 13.130 ( -1.603 -2.837 -0.390) 3.281 13.130 ( -1.603 2.837 -0.390) 3.281 15.335 ( -1.291 -18.398 -2.200) 18.574 15.335 ( -1.291 18.398 -2.200) 18.574 20.161 ( -3.082 -3.460 -1.107) 4.764 20.161 ( -3.082 3.460 -1.107) 4.764 20.794 ( -1.732 -2.121 5.299) 5.965 20.794 ( -1.732 2.121 5.299) 5.965 21.351 ( 0.699 -3.611 -2.388) 4.385 21.351 ( 0.699 3.611 -2.388) 4.385 22.658 ( 3.876 -4.194 2.996) 6.449 22.658 ( 3.876 4.194 2.996) 6.449 ======================= Grid point 187 (99/170) ======================= q-point: ( 0.12 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 1.733 -4.914 0.509) 5.235 1.117 ( 1.733 4.914 0.509) 5.235 1.766 ( 2.218 -4.840 8.759) 10.250 1.766 ( 2.218 4.840 8.759) 10.250 2.251 ( -1.802 -6.842 -0.888) 7.131 2.251 ( -1.802 6.842 -0.888) 7.131 2.407 ( 5.029 -6.235 9.005) 12.052 2.407 ( 5.029 6.235 9.005) 12.052 2.557 ( 1.006 -4.274 1.585) 4.668 2.557 ( 1.006 4.274 1.585) 4.668 3.065 ( -2.780 -3.842 -0.901) 4.827 3.065 ( -2.780 3.842 -0.901) 4.827 3.658 ( -0.092 -6.023 -5.040) 7.854 3.658 ( -0.092 6.023 -5.040) 7.854 4.036 ( 4.679 -6.046 2.987) 8.208 4.036 ( 4.679 6.046 2.987) 8.208 4.341 ( -2.034 -3.304 5.829) 7.003 4.341 ( -2.034 3.304 5.829) 7.003 4.695 ( -1.328 -6.199 4.794) 7.948 4.695 ( -1.328 6.199 4.794) 7.948 5.197 ( 0.910 -4.708 -0.758) 4.854 5.197 ( 0.910 4.708 -0.758) 4.854 5.500 ( 3.308 -5.595 -7.147) 9.660 5.500 ( 3.308 5.595 -7.147) 9.660 6.075 ( -0.860 -8.725 -0.727) 8.797 6.075 ( -0.860 8.725 -0.727) 8.797 6.799 ( 0.458 -4.970 5.480) 7.412 6.799 ( 0.458 4.970 5.480) 7.412 7.177 ( 6.123 -4.144 9.299) 11.880 7.177 ( 6.123 4.144 9.299) 11.880 7.602 ( -1.109 -14.768 0.276) 14.813 7.602 ( -1.109 14.768 0.276) 14.813 8.236 ( 0.016 -10.896 8.083) 13.566 8.236 ( 0.016 10.896 8.083) 13.566 9.264 ( -1.394 -2.747 -0.732) 3.166 9.264 ( -1.394 2.747 -0.732) 3.166 10.138 ( -8.214 -4.016 1.756) 9.310 10.138 ( -8.214 4.016 1.756) 9.310 12.083 ( 1.021 -9.520 -9.134) 13.232 12.083 ( 1.021 9.520 -9.134) 13.232 12.271 ( 2.301 -5.089 -7.715) 9.524 12.271 ( 2.301 5.089 -7.715) 9.524 13.149 ( 3.240 -5.637 0.988) 6.576 13.149 ( 3.240 5.637 0.988) 6.576 15.291 ( -1.663 -20.393 -1.517) 20.517 15.291 ( -1.663 20.393 -1.517) 20.517 20.117 ( -1.345 -3.745 0.076) 3.980 20.117 ( -1.345 3.745 0.076) 3.980 20.807 ( -2.127 -1.077 4.614) 5.194 20.807 ( -2.127 1.078 4.614) 5.194 21.355 ( 2.146 -4.469 -1.980) 5.338 21.355 ( 2.146 4.469 -1.980) 5.338 22.707 ( -0.682 -2.282 1.404) 2.765 22.707 ( -0.682 2.282 1.404) 2.765 ======================= Grid point 189 (100/170) ======================= q-point: ( 0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 7.135 -6.029 2.658) 9.712 1.221 ( 7.135 6.029 2.658) 9.712 1.870 ( 1.249 -2.918 6.520) 7.252 1.870 ( 1.249 2.918 6.520) 7.252 2.202 ( -1.735 -7.720 -2.248) 8.225 2.202 ( -1.735 7.720 -2.248) 8.225 2.512 ( -2.279 -6.673 8.791) 11.270 2.512 ( -2.279 6.673 8.791) 11.270 2.683 ( 9.760 -3.944 2.327) 10.781 2.683 ( 9.760 3.944 2.327) 10.781 3.022 ( -1.026 -3.595 -1.384) 3.987 3.022 ( -1.026 3.595 -1.384) 3.987 3.607 ( -0.398 -7.836 -2.507) 8.237 3.607 ( -0.398 7.836 -2.507) 8.237 4.170 ( 5.491 -3.029 3.191) 7.036 4.170 ( 5.491 3.029 3.191) 7.036 4.335 ( -3.026 -3.488 3.654) 5.888 4.335 ( -3.026 3.488 3.654) 5.888 4.726 ( 0.883 -6.203 4.179) 7.532 4.726 ( 0.883 6.203 4.179) 7.532 5.193 ( 0.303 -7.112 -4.331) 8.333 5.193 ( 0.303 7.112 -4.331) 8.333 5.480 ( 0.331 -6.580 -2.844) 7.176 5.480 ( 0.331 6.580 -2.844) 7.176 6.045 ( -0.173 -9.027 -2.279) 9.312 6.045 ( -0.173 9.027 -2.280) 9.312 6.812 ( -2.447 -4.506 1.141) 5.253 6.812 ( -2.447 4.506 1.141) 5.253 7.270 ( 0.015 -5.039 -1.515) 5.262 7.270 ( 0.015 5.039 -1.515) 5.262 7.591 ( -2.128 -15.327 1.610) 15.558 7.591 ( -2.128 15.327 1.610) 15.558 8.329 ( 3.567 -11.242 5.604) 13.058 8.329 ( 3.567 11.242 5.604) 13.058 9.201 ( -5.336 -4.554 -0.090) 7.016 9.201 ( -5.336 4.555 -0.090) 7.016 9.986 ( -10.588 -4.380 1.789) 11.597 9.986 ( -10.588 4.380 1.789) 11.597 12.031 ( 1.375 -6.963 -4.797) 8.566 12.031 ( 1.375 6.963 -4.797) 8.566 12.267 ( 5.769 -4.454 -9.301) 11.816 12.267 ( 5.769 4.454 -9.301) 11.816 13.243 ( 4.563 -7.163 3.960) 9.371 13.243 ( 4.563 7.163 3.960) 9.371 15.259 ( -0.950 -22.591 -0.391) 22.615 15.259 ( -0.950 22.591 -0.391) 22.615 20.119 ( 0.216 -4.145 2.287) 4.739 20.119 ( 0.216 4.145 2.287) 4.739 20.805 ( -2.598 -0.932 3.780) 4.680 20.805 ( -2.598 0.932 3.780) 4.680 21.387 ( 3.211 -5.158 -1.115) 6.177 21.387 ( 3.211 5.158 -1.115) 6.177 22.659 ( -4.301 -1.697 -2.290) 5.160 22.659 ( -4.301 1.697 -2.290) 5.160 ======================= Grid point 191 (101/170) ======================= q-point: ( 0.38 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( 5.194 -7.432 2.195) 9.329 1.356 ( 5.194 7.432 2.195) 9.329 1.918 ( -1.567 -2.849 4.771) 5.774 1.918 ( -1.567 2.849 4.771) 5.774 2.151 ( -2.313 -4.718 -1.871) 5.577 2.151 ( -2.313 4.718 -1.871) 5.577 2.520 ( -4.364 -4.939 5.269) 8.438 2.520 ( -4.364 4.939 5.269) 8.438 2.834 ( 4.205 -3.629 0.970) 5.638 2.834 ( 4.205 3.629 0.970) 5.638 3.013 ( 2.296 -3.596 -0.868) 4.354 3.013 ( 2.296 3.596 -0.868) 4.354 3.619 ( 1.515 -7.178 1.616) 7.512 3.619 ( 1.515 7.178 1.616) 7.512 4.181 ( -4.835 -2.033 -2.342) 5.744 4.181 ( -4.835 2.033 -2.342) 5.744 4.361 ( 1.239 -3.553 5.079) 6.321 4.361 ( 1.239 3.553 5.079) 6.321 4.815 ( 3.935 -9.381 3.665) 10.813 4.815 ( 3.935 9.381 3.665) 10.813 5.139 ( 1.073 -10.683 -5.937) 12.269 5.139 ( 1.073 10.683 -5.937) 12.269 5.486 ( 1.215 -5.101 2.258) 5.709 5.486 ( 1.215 5.101 2.258) 5.709 6.030 ( 0.856 -7.562 -3.482) 8.369 6.030 ( 0.856 7.562 -3.482) 8.369 6.740 ( -4.834 -5.725 -2.891) 8.031 6.740 ( -4.834 5.725 -2.891) 8.031 7.174 ( -4.948 -4.686 -8.682) 11.037 7.174 ( -4.948 4.686 -8.682) 11.037 7.530 ( -4.594 -15.515 -1.541) 16.255 7.530 ( -4.594 15.515 -1.541) 16.255 8.439 ( 2.798 -9.378 3.707) 10.465 8.439 ( 2.798 9.378 3.707) 10.465 9.100 ( -5.791 -5.711 0.961) 8.190 9.100 ( -5.791 5.711 0.961) 8.190 9.840 ( -7.140 -5.280 0.690) 8.907 9.840 ( -7.140 5.280 0.690) 8.907 12.048 ( 3.540 -3.608 -1.627) 5.310 12.048 ( 3.540 3.608 -1.627) 5.310 12.293 ( 6.880 -5.572 -8.413) 12.213 12.293 ( 6.880 5.572 -8.413) 12.213 13.355 ( 2.634 -7.133 5.991) 9.680 13.355 ( 2.634 7.133 5.991) 9.680 15.255 ( 0.417 -24.078 0.697) 24.092 15.255 ( 0.417 24.078 0.697) 24.092 20.162 ( 0.939 -4.299 4.530) 6.316 20.162 ( 0.939 4.299 4.530) 6.316 20.789 ( -2.912 -2.618 3.091) 4.989 20.789 ( -2.912 2.618 3.091) 4.989 21.439 ( 3.298 -5.252 -0.146) 6.204 21.439 ( 3.298 5.252 -0.146) 6.204 22.534 ( -5.120 -2.575 -6.283) 8.504 22.534 ( -5.120 2.575 -6.283) 8.504 ======================= Grid point 193 (102/170) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 0.839 -7.711 -0.217) 7.760 1.419 ( 0.839 7.711 -0.217) 7.760 1.913 ( -4.390 -2.989 5.537) 7.672 1.913 ( -4.390 2.989 5.537) 7.672 2.091 ( -2.419 -3.285 -1.187) 4.248 2.091 ( -2.419 3.285 -1.187) 4.248 2.458 ( -5.210 -3.311 -0.119) 6.174 2.458 ( -5.210 3.311 -0.119) 6.174 2.828 ( -4.439 -4.543 0.838) 6.407 2.828 ( -4.439 4.543 0.838) 6.407 3.098 ( 6.184 -2.746 0.238) 6.771 3.098 ( 6.184 2.746 0.238) 6.771 3.637 ( -1.278 -2.948 -0.371) 3.234 3.637 ( -1.278 2.948 -0.371) 3.234 4.059 ( -4.463 -5.711 -2.883) 7.800 4.059 ( -4.463 5.711 -2.883) 7.800 4.410 ( -1.768 -4.331 5.421) 7.160 4.410 ( -1.768 4.331 5.421) 7.160 4.829 ( -3.621 -10.012 -0.251) 10.649 4.829 ( -3.621 10.012 -0.251) 10.649 5.201 ( 8.341 -11.800 -1.641) 14.543 5.201 ( 8.341 11.800 -1.641) 14.543 5.573 ( 5.586 -4.753 3.902) 8.308 5.573 ( 5.586 4.753 3.902) 8.308 5.992 ( -1.845 -5.750 -3.125) 6.800 5.992 ( -1.845 5.750 -3.125) 6.800 6.608 ( -5.819 -4.010 -5.705) 9.083 6.608 ( -5.819 4.010 -5.705) 9.083 6.985 ( -5.517 -4.955 -9.714) 12.221 6.985 ( -5.517 4.955 -9.714) 12.221 7.443 ( -2.789 -14.709 -2.092) 15.117 7.443 ( -2.789 14.709 -2.092) 15.117 8.421 ( -8.375 -4.660 1.535) 9.706 8.421 ( -8.375 4.660 1.535) 9.706 9.086 ( 3.890 -5.927 0.857) 7.141 9.086 ( 3.890 5.927 0.857) 7.141 9.769 ( -1.934 -4.414 1.038) 4.930 9.769 ( -1.934 4.414 1.038) 4.930 12.099 ( 4.413 -2.192 -3.163) 5.855 12.099 ( 4.413 2.192 -3.163) 5.855 12.352 ( 7.080 -8.254 -4.852) 11.907 12.352 ( 7.080 8.254 -4.852) 11.907 13.425 ( -1.182 -6.908 6.073) 9.274 13.425 ( -1.182 6.908 6.073) 9.274 15.284 ( 1.706 -24.709 1.261) 24.799 15.284 ( 1.706 24.709 1.261) 24.799 20.225 ( 0.680 -4.191 5.827) 7.209 20.225 ( 0.680 4.191 5.827) 7.209 20.765 ( -2.924 -4.017 2.800) 5.703 20.765 ( -2.924 4.017 2.800) 5.703 21.485 ( 1.599 -4.212 0.111) 4.507 21.485 ( 1.599 4.212 0.111) 4.507 22.398 ( -2.071 -2.019 -8.203) 8.698 22.398 ( -2.071 2.019 -8.203) 8.698 ======================= Grid point 195 (103/170) ======================= q-point: (-0.38 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( -2.851 -6.792 -2.185) 7.683 1.384 ( -2.851 6.792 -2.185) 7.683 1.869 ( -8.046 -3.323 7.990) 11.816 1.869 ( -8.046 3.323 7.990) 11.816 2.070 ( 0.146 -3.916 0.737) 3.988 2.070 ( 0.146 3.916 0.737) 3.988 2.368 ( -3.402 -3.994 -1.953) 5.599 2.368 ( -3.402 3.994 -1.953) 5.599 2.727 ( -7.645 -5.173 0.560) 9.248 2.727 ( -7.645 5.173 0.560) 9.248 3.183 ( 2.746 -4.403 0.798) 5.250 3.183 ( 2.746 4.403 0.798) 5.250 3.582 ( -1.357 -1.823 -3.788) 4.418 3.582 ( -1.357 1.823 -3.788) 4.418 4.004 ( -1.790 -10.347 1.762) 10.648 4.004 ( -1.790 10.347 1.762) 10.648 4.399 ( -4.032 -4.324 3.399) 6.820 4.399 ( -4.032 4.324 3.399) 6.820 4.760 ( -3.398 -8.749 -0.176) 9.387 4.760 ( -3.398 8.749 -0.176) 9.387 5.296 ( 4.215 -11.055 -2.066) 12.010 5.296 ( 4.215 11.055 -2.066) 12.010 5.686 ( 3.996 -6.066 -1.452) 7.408 5.686 ( 3.996 6.066 -1.452) 7.408 5.928 ( -3.278 -4.059 -0.097) 5.219 5.928 ( -3.278 4.059 -0.097) 5.219 6.447 ( -6.782 -4.128 -4.512) 9.132 6.447 ( -6.782 4.128 -4.512) 9.132 6.872 ( -0.318 -4.323 -2.657) 5.085 6.872 ( -0.318 4.323 -2.657) 5.085 7.423 ( 2.462 -7.870 -0.600) 8.268 7.423 ( 2.462 7.870 -0.600) 8.268 8.245 ( -11.621 -8.105 1.866) 14.291 8.245 ( -11.621 8.105 1.866) 14.291 9.190 ( 5.961 -7.447 -0.676) 9.563 9.190 ( 5.961 7.447 -0.676) 9.563 9.804 ( 4.741 -8.826 1.986) 10.214 9.804 ( 4.741 8.826 1.986) 10.214 12.129 ( 4.352 -2.279 -6.674) 8.288 12.129 ( 4.352 2.279 -6.674) 8.288 12.434 ( 5.912 -9.484 -2.612) 11.477 12.434 ( 5.912 9.484 -2.612) 11.477 13.418 ( -5.505 -6.870 4.657) 9.960 13.418 ( -5.505 6.870 4.657) 9.960 15.329 ( 2.213 -24.050 0.834) 24.166 15.329 ( 2.213 24.050 0.834) 24.166 20.279 ( -0.664 -4.139 5.145) 6.637 20.279 ( -0.664 4.139 5.145) 6.637 20.745 ( -2.484 -4.459 3.313) 6.086 20.745 ( -2.484 4.459 3.313) 6.086 21.483 ( -1.356 -2.290 -1.113) 2.885 21.483 ( -1.356 2.290 -1.113) 2.885 22.342 ( 3.661 -1.558 -6.175) 7.346 22.342 ( 3.661 1.558 -6.175) 7.346 ======================= Grid point 197 (104/170) ======================= q-point: (-0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( -2.317 -7.391 0.684) 7.776 1.326 ( -2.317 7.391 0.684) 7.776 1.779 ( -11.348 -5.051 7.897) 14.719 1.779 ( -11.348 5.051 7.897) 14.719 2.088 ( -0.829 -6.031 4.055) 7.314 2.088 ( -0.829 6.031 4.055) 7.314 2.324 ( -0.935 -7.924 -0.222) 7.982 2.324 ( -0.935 7.924 -0.222) 7.982 2.613 ( -5.315 -6.100 1.425) 8.215 2.613 ( -5.315 6.100 1.425) 8.215 3.206 ( -1.396 -4.819 2.121) 5.447 3.206 ( -1.396 4.819 2.121) 5.447 3.557 ( 1.416 -2.395 -1.424) 3.126 3.557 ( 1.416 2.395 -1.424) 3.126 4.019 ( 1.524 -11.268 1.955) 11.537 4.019 ( 1.524 11.268 1.955) 11.537 4.331 ( -5.519 -5.550 -0.705) 7.858 4.331 ( -5.519 5.550 -0.705) 7.858 4.714 ( -3.037 -10.134 1.798) 10.731 4.714 ( -3.037 10.134 1.798) 10.731 5.326 ( 2.357 -11.502 -2.139) 11.934 5.326 ( 2.357 11.502 -2.139) 11.934 5.650 ( -3.824 -6.626 -7.246) 10.537 5.650 ( -3.824 6.626 -7.246) 10.537 5.896 ( -0.023 -4.707 1.381) 4.905 5.896 ( -0.023 4.707 1.381) 4.905 6.343 ( -3.273 -4.091 3.954) 6.564 6.343 ( -3.273 4.091 3.954) 6.564 6.895 ( 2.166 -2.518 0.902) 3.442 6.895 ( 2.166 2.518 0.902) 3.442 7.512 ( 5.340 -2.936 3.492) 7.024 7.512 ( 5.340 2.936 3.492) 7.024 8.114 ( -6.665 -9.532 4.989) 12.656 8.114 ( -6.665 9.532 4.989) 12.656 9.243 ( 2.105 -9.934 -2.007) 10.351 9.243 ( 2.105 9.934 -2.007) 10.351 9.955 ( 9.948 -12.085 1.737) 15.749 9.955 ( 9.948 12.085 1.737) 15.749 12.131 ( 4.405 -2.879 -8.673) 10.145 12.131 ( 4.405 2.879 -8.673) 10.145 12.485 ( 3.059 -9.009 -3.980) 10.313 12.485 ( 3.059 9.009 -3.980) 10.313 13.329 ( -8.349 -6.431 2.672) 10.872 13.329 ( -8.349 6.431 2.672) 10.872 15.364 ( 1.528 -21.719 -0.523) 21.779 15.364 ( 1.528 21.719 -0.523) 21.779 20.284 ( -2.791 -4.141 2.213) 5.463 20.284 ( -2.791 4.141 2.213) 5.463 20.747 ( -1.642 -3.800 4.796) 6.335 20.747 ( -1.642 3.800 4.796) 6.335 21.430 ( -2.342 -2.373 -2.420) 4.120 21.430 ( -2.342 2.373 -2.420) 4.120 22.406 ( 7.436 -4.102 -1.824) 8.686 22.406 ( 7.436 4.102 -1.824) 8.686 ======================= Grid point 199 (105/170) ======================= q-point: (-0.12 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( -4.335 -6.958 0.779) 8.235 1.294 ( -4.335 6.958 0.779) 8.235 1.655 ( -9.872 -7.653 9.097) 15.452 1.655 ( -9.872 7.653 9.097) 15.452 2.129 ( 0.211 -6.059 6.708) 9.042 2.129 ( 0.211 6.059 6.708) 9.042 2.307 ( -2.452 -4.584 2.583) 5.805 2.307 ( -2.452 4.584 2.583) 5.805 2.587 ( -0.474 -5.071 1.242) 5.242 2.587 ( -0.474 5.071 1.242) 5.242 3.179 ( -3.835 -4.953 2.194) 6.637 3.179 ( -3.835 4.953 2.194) 6.637 3.594 ( 3.324 -2.629 -0.009) 4.238 3.594 ( 3.324 2.629 -0.009) 4.238 4.072 ( 0.653 -8.428 0.876) 8.498 4.072 ( 0.653 8.428 0.876) 8.498 4.233 ( -2.709 -5.817 0.063) 6.418 4.233 ( -2.709 5.817 0.063) 6.418 4.685 ( -2.694 -10.909 2.678) 11.552 4.685 ( -2.694 10.909 2.678) 11.552 5.321 ( -1.981 -9.183 -3.906) 10.174 5.321 ( -1.981 9.183 -3.906) 10.174 5.503 ( -1.109 -2.628 -7.271) 7.810 5.503 ( -1.109 2.628 -7.271) 7.810 5.957 ( 3.929 -1.750 3.388) 5.476 5.957 ( 3.929 1.750 3.388) 5.476 6.439 ( 4.309 -4.472 13.887) 15.212 6.439 ( 4.309 4.472 13.887) 15.212 6.929 ( 0.455 -2.266 2.040) 3.082 6.929 ( 0.455 2.266 2.040) 3.082 7.611 ( 2.146 -1.973 2.092) 3.588 7.611 ( 2.146 1.973 2.092) 3.588 8.110 ( -2.119 -7.358 9.074) 11.873 8.110 ( -2.119 7.358 9.074) 11.873 9.251 ( 1.343 -11.610 -1.480) 11.780 9.251 ( 1.343 11.610 -1.480) 11.780 10.128 ( 7.887 -10.178 0.550) 12.888 10.128 ( 7.887 10.178 0.550) 12.888 12.127 ( 4.865 -3.675 -9.318) 11.136 12.127 ( 4.865 3.675 -9.318) 11.136 12.455 ( -1.005 -7.350 -6.458) 9.836 12.455 ( -1.005 7.350 -6.458) 9.836 13.206 ( -7.018 -4.523 0.719) 8.380 13.206 ( -7.018 4.523 0.719) 8.380 15.367 ( 0.026 -18.887 -1.867) 18.979 15.367 ( 0.026 18.887 -1.867) 18.979 20.231 ( -3.864 -3.728 -0.474) 5.390 20.231 ( -3.864 3.728 -0.474) 5.390 20.770 ( -1.418 -2.904 5.597) 6.463 20.770 ( -1.418 2.904 5.597) 6.463 21.376 ( -1.020 -2.959 -2.586) 4.060 21.376 ( -1.020 2.959 -2.586) 4.060 22.536 ( 7.182 -5.070 1.748) 8.963 22.536 ( 7.182 5.070 1.748) 8.963 ======================= Grid point 225 (106/170) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( -1.084 0.000 3.696) 3.852 1.241 ( -1.267 0.000 10.396) 10.473 1.643 ( -1.951 0.000 3.447) 3.961 1.784 ( -4.164 0.000 5.884) 7.208 1.861 ( 0.810 0.000 7.589) 7.632 1.918 ( 1.276 0.000 0.600) 1.410 2.149 ( 6.291 0.000 -6.919) 9.351 2.254 ( 2.396 0.000 3.245) 4.034 2.466 ( 2.765 0.000 16.157) 16.392 2.693 ( -5.879 0.000 3.952) 7.084 2.876 ( -4.765 0.000 11.515) 12.462 3.107 ( -2.446 0.000 0.121) 2.449 3.209 ( -5.957 0.000 14.502) 15.678 3.582 ( -1.816 0.000 -1.424) 2.308 3.729 ( 3.904 0.000 -7.882) 8.796 3.960 ( -3.670 0.000 3.001) 4.741 4.061 ( 4.991 0.000 4.082) 6.448 4.154 ( 1.436 0.000 -1.384) 1.994 4.422 ( 1.681 0.000 -2.651) 3.139 4.467 ( 3.672 0.000 -3.359) 4.977 4.891 ( -0.732 0.000 5.911) 5.957 5.112 ( -1.209 0.000 -1.925) 2.273 5.267 ( -0.511 0.000 -2.779) 2.826 5.380 ( 0.407 0.000 0.022) 0.407 5.837 ( -0.599 0.000 1.783) 1.881 5.914 ( 1.004 0.000 -1.177) 1.547 6.290 ( -3.435 0.000 -2.729) 4.387 6.693 ( 4.777 0.000 9.068) 10.249 6.829 ( -2.443 0.000 2.325) 3.372 7.112 ( 9.587 0.000 1.327) 9.678 7.790 ( 4.754 0.000 8.748) 9.956 8.088 ( 11.542 0.000 -1.533) 11.644 8.534 ( -6.681 0.000 -3.422) 7.507 8.825 ( 0.180 0.000 9.985) 9.987 9.132 ( -1.067 0.000 -2.744) 2.944 9.642 ( -4.283 0.000 12.817) 13.514 9.757 ( 0.227 0.000 -0.655) 0.693 10.558 ( -1.797 0.000 -23.429) 23.498 11.928 ( 0.068 0.000 -3.473) 3.473 12.128 ( -3.732 0.000 0.567) 3.775 12.291 ( 6.375 0.000 -2.395) 6.810 12.602 ( -5.401 0.000 -0.627) 5.437 12.744 ( 6.205 0.000 -8.017) 10.138 13.139 ( -0.306 0.000 1.336) 1.370 13.724 ( -0.602 0.000 0.458) 0.756 16.334 ( -11.143 0.000 -0.315) 11.147 20.016 ( -1.907 0.000 -0.641) 2.012 20.499 ( -1.053 0.000 3.175) 3.345 20.901 ( -2.504 0.000 1.372) 2.855 20.909 ( 0.401 0.000 -0.163) 0.433 21.093 ( -2.577 0.000 2.629) 3.681 21.583 ( 5.692 0.000 -1.729) 5.949 21.938 ( 7.729 0.000 0.144) 7.730 23.277 ( -5.849 0.000 0.785) 5.901 ======================= Grid point 226 (107/170) ======================= q-point: ( 0.12 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( 8.361 0.000 2.326) 8.678 1.399 ( 8.730 0.000 4.704) 9.916 1.654 ( -1.160 0.000 4.601) 4.745 1.742 ( -2.918 0.000 3.949) 4.910 1.906 ( 1.407 0.000 2.343) 2.733 2.035 ( 8.682 0.000 1.351) 8.787 2.178 ( 4.322 0.000 -7.889) 8.995 2.304 ( 1.635 0.000 -0.550) 1.725 2.558 ( -9.656 0.000 0.265) 9.659 2.675 ( 4.748 0.000 10.053) 11.118 2.993 ( 2.389 0.000 12.579) 12.804 3.108 ( 4.890 0.000 -0.057) 4.890 3.283 ( -1.987 0.000 15.411) 15.538 3.566 ( 0.127 0.000 0.551) 0.565 3.698 ( 0.685 0.000 -8.103) 8.132 3.854 ( -9.105 0.000 2.025) 9.327 4.072 ( -7.120 0.000 -1.345) 7.246 4.167 ( 3.790 0.000 -0.158) 3.793 4.387 ( -2.039 0.000 -1.050) 2.293 4.576 ( 8.483 0.000 -3.666) 9.241 4.896 ( -4.995 0.000 2.881) 5.766 5.072 ( 0.480 0.000 -2.960) 2.999 5.241 ( 0.330 0.000 -1.604) 1.638 5.423 ( 3.358 0.000 -0.557) 3.404 5.686 ( -14.067 0.000 -1.423) 14.139 5.910 ( 1.862 0.000 6.395) 6.660 6.377 ( 7.675 0.000 -0.564) 7.696 6.734 ( -4.619 0.000 -6.704) 8.141 6.873 ( 5.043 0.000 9.232) 10.520 7.211 ( 4.934 0.000 -6.841) 8.435 7.871 ( 0.038 0.000 0.297) 0.299 8.125 ( -8.988 0.000 -16.571) 18.851 8.457 ( 6.943 0.000 8.799) 11.208 9.004 ( 8.409 0.000 9.968) 13.041 9.094 ( 0.211 0.000 -6.669) 6.672 9.641 ( -4.606 0.000 10.847) 11.784 9.773 ( -7.014 0.000 10.901) 12.963 10.245 ( -10.289 0.000 -20.525) 22.960 11.883 ( -2.433 0.000 -2.403) 3.420 12.120 ( 1.895 0.000 1.722) 2.561 12.343 ( 4.349 0.000 -5.131) 6.726 12.523 ( -3.462 0.000 1.546) 3.792 12.790 ( 6.355 0.000 -6.541) 9.120 13.167 ( 1.776 0.000 1.789) 2.520 13.743 ( 1.944 0.000 0.901) 2.143 16.310 ( 3.277 0.000 7.386) 8.080 20.000 ( -0.334 0.000 1.404) 1.443 20.517 ( -0.067 0.000 2.821) 2.822 20.863 ( -3.449 0.000 1.937) 3.956 20.917 ( 0.221 0.000 0.503) 0.549 21.067 ( -2.777 0.000 1.790) 3.304 21.634 ( 3.218 0.000 -1.798) 3.686 22.018 ( 4.941 0.000 -8.529) 9.857 23.168 ( -9.626 0.000 5.524) 11.099 ======================= Grid point 227 (108/170) ======================= q-point: ( 0.25 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( 10.033 0.000 1.688) 10.174 1.485 ( 2.043 0.000 -2.508) 3.234 1.690 ( -0.376 0.000 3.647) 3.667 1.881 ( 8.069 0.000 12.135) 14.572 1.936 ( 3.965 0.000 -7.514) 8.496 2.145 ( 2.158 0.000 -7.071) 7.393 2.193 ( 5.053 0.000 1.087) 5.168 2.316 ( 3.226 0.000 -2.517) 4.092 2.423 ( -6.423 0.000 0.254) 6.428 2.791 ( 3.439 0.000 5.561) 6.539 3.126 ( 2.507 0.000 7.252) 7.673 3.269 ( 11.081 0.000 1.135) 11.139 3.401 ( -0.210 0.000 11.707) 11.709 3.557 ( -2.086 0.000 -6.346) 6.680 3.628 ( -1.988 0.000 2.699) 3.352 3.750 ( -5.119 0.000 3.957) 6.470 3.913 ( -9.482 0.000 -2.038) 9.698 4.170 ( -2.626 0.000 -4.213) 4.964 4.316 ( -4.283 0.000 -0.678) 4.336 4.667 ( 7.913 0.000 -6.611) 10.312 4.819 ( -6.186 0.000 5.201) 8.082 5.033 ( -0.348 0.000 -6.323) 6.332 5.261 ( 1.446 0.000 0.076) 1.448 5.400 ( -4.608 0.000 -3.690) 5.903 5.514 ( -6.080 0.000 3.999) 7.278 6.098 ( 10.445 0.000 7.054) 12.604 6.406 ( -2.142 0.000 -0.309) 2.164 6.545 ( -7.782 0.000 -8.921) 11.838 7.032 ( 4.682 0.000 0.504) 4.709 7.165 ( 0.505 0.000 -12.795) 12.805 7.686 ( -14.760 0.000 -13.228) 19.820 7.899 ( 2.013 0.000 -4.306) 4.753 8.636 ( 1.996 0.000 0.022) 1.996 9.075 ( 6.362 0.000 -2.984) 7.026 9.247 ( 9.905 0.000 6.329) 11.754 9.630 ( -9.319 0.000 -1.255) 9.403 9.749 ( -5.934 0.000 17.641) 18.612 9.890 ( -13.302 0.000 -5.912) 14.556 11.819 ( -2.792 0.000 -0.567) 2.849 12.202 ( 5.163 0.000 0.524) 5.189 12.365 ( 3.579 0.000 -3.934) 5.318 12.531 ( 2.215 0.000 2.843) 3.604 12.825 ( 3.719 0.000 -4.985) 6.220 13.214 ( 1.540 0.000 1.319) 2.027 13.797 ( 2.563 0.000 1.669) 3.058 16.535 ( 11.406 0.000 12.202) 16.703 20.029 ( 0.961 0.000 3.571) 3.698 20.540 ( -0.014 0.000 1.897) 1.897 20.824 ( -3.683 0.000 3.283) 4.934 20.926 ( 0.200 0.000 0.844) 0.867 21.033 ( -2.540 0.000 0.771) 2.654 21.655 ( 1.233 0.000 -3.839) 4.032 21.956 ( 0.237 0.000 -11.989) 11.992 23.062 ( -9.017 0.000 6.462) 11.094 ======================= Grid point 228 (109/170) ======================= q-point: ( 0.38 0.00 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 6.630 0.000 1.598) 6.820 1.507 ( 1.642 0.000 -0.116) 1.646 1.705 ( -0.924 0.000 1.132) 1.462 1.859 ( -3.934 0.000 -6.782) 7.840 1.949 ( -3.568 0.000 -6.620) 7.520 2.161 ( -7.085 0.000 -0.304) 7.091 2.275 ( 7.936 0.000 2.269) 8.254 2.318 ( 3.299 0.000 -4.416) 5.512 2.445 ( 4.958 0.000 9.146) 10.404 2.979 ( 11.934 0.000 6.210) 13.453 3.191 ( 0.534 0.000 0.366) 0.647 3.374 ( -4.020 0.000 -9.768) 10.563 3.461 ( -2.849 0.000 7.932) 8.428 3.479 ( 6.668 0.000 -2.492) 7.118 3.636 ( -4.281 0.000 6.617) 7.882 3.712 ( -8.634 0.000 -1.339) 8.738 3.785 ( 0.862 0.000 7.982) 8.028 4.020 ( -9.099 0.000 -1.145) 9.171 4.261 ( -1.405 0.000 -1.221) 1.861 4.720 ( 6.106 0.000 -8.230) 10.248 4.799 ( -2.424 0.000 4.616) 5.214 4.980 ( 0.982 0.000 -4.862) 4.960 5.145 ( -11.317 0.000 -8.715) 14.284 5.350 ( 1.605 0.000 1.537) 2.222 5.519 ( -0.159 0.000 7.495) 7.497 6.200 ( -0.692 0.000 -3.701) 3.765 6.325 ( -7.732 0.000 -10.705) 13.205 6.460 ( 6.567 0.000 1.731) 6.792 6.912 ( -10.221 0.000 -11.614) 15.471 7.009 ( -4.369 0.000 -11.727) 12.514 7.535 ( 3.905 0.000 3.971) 5.569 7.943 ( 4.584 0.000 -1.510) 4.826 8.541 ( -4.055 0.000 -8.836) 9.722 9.128 ( -8.345 0.000 -3.715) 9.134 9.337 ( -4.133 0.000 -7.042) 8.166 9.454 ( 1.437 0.000 7.398) 7.536 9.747 ( 4.065 0.000 -4.016) 5.715 9.902 ( -2.047 0.000 22.465) 22.558 11.787 ( -1.076 0.000 0.874) 1.386 12.269 ( 3.154 0.000 -1.498) 3.491 12.395 ( 2.581 0.000 -1.733) 3.109 12.637 ( 6.956 0.000 0.396) 6.967 12.831 ( 1.035 0.000 -1.085) 1.499 13.231 ( -0.342 0.000 -0.332) 0.477 13.849 ( 1.304 0.000 2.149) 2.514 16.880 ( 13.501 0.000 14.550) 19.849 20.093 ( 1.597 0.000 5.220) 5.459 20.542 ( -1.089 0.000 0.355) 1.145 20.803 ( -2.940 0.000 4.572) 5.436 20.941 ( 0.419 0.000 1.122) 1.197 20.995 ( -2.164 0.000 -0.331) 2.190 21.559 ( -3.285 0.000 -13.681) 14.070 21.873 ( -0.907 0.000 -3.556) 3.670 22.991 ( -4.795 0.000 4.836) 6.810 ======================= Grid point 229 (110/170) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 0.700 0.000 1.114) 1.316 1.518 ( -0.114 0.000 -0.023) 0.116 1.575 ( -11.913 0.000 -3.920) 12.541 1.756 ( -2.895 0.000 -6.689) 7.288 1.849 ( -1.927 0.000 2.182) 2.911 2.025 ( -7.122 0.000 1.936) 7.380 2.225 ( -1.944 0.000 -2.826) 3.430 2.505 ( 3.812 0.000 4.422) 5.839 2.574 ( -1.026 0.000 8.081) 8.146 3.118 ( 1.447 0.000 -11.217) 11.310 3.188 ( -4.401 0.000 2.449) 5.036 3.298 ( 0.186 0.000 2.616) 2.623 3.362 ( -9.259 0.000 1.203) 9.336 3.464 ( 0.426 0.000 4.092) 4.114 3.562 ( -5.473 0.000 -0.509) 5.496 3.753 ( 3.966 0.000 2.062) 4.470 3.903 ( -5.569 0.000 4.278) 7.023 3.942 ( 7.430 0.000 9.362) 11.952 4.235 ( -1.162 0.000 -1.354) 1.784 4.700 ( -2.886 0.000 -1.593) 3.296 4.803 ( -3.116 0.000 -6.973) 7.637 4.869 ( -0.871 0.000 -3.764) 3.863 5.001 ( 4.174 0.000 -4.347) 6.027 5.397 ( 3.238 0.000 -2.097) 3.858 5.618 ( 1.900 0.000 8.505) 8.714 6.080 ( -6.429 0.000 -12.866) 14.383 6.187 ( 1.192 0.000 1.792) 2.153 6.439 ( -3.721 0.000 -8.099) 8.913 6.678 ( -7.992 0.000 -8.638) 11.768 6.901 ( -0.652 0.000 3.371) 3.433 7.758 ( 13.696 0.000 4.068) 14.287 7.957 ( -2.123 0.000 -1.757) 2.756 8.409 ( -3.197 0.000 -8.494) 9.075 8.826 ( -13.370 0.000 -0.715) 13.389 9.218 ( -8.800 0.000 2.993) 9.295 9.606 ( 9.480 0.000 -0.811) 9.515 9.793 ( 1.818 0.000 -2.064) 2.751 10.115 ( 8.716 0.000 10.665) 13.774 11.798 ( 0.735 0.000 2.018) 2.148 12.287 ( 0.808 0.000 -2.312) 2.449 12.410 ( 0.651 0.000 -1.471) 1.608 12.692 ( 2.209 0.000 -5.867) 6.269 12.891 ( 3.398 0.000 5.017) 6.060 13.195 ( -2.511 0.000 -1.743) 3.057 13.873 ( -0.812 0.000 2.019) 2.177 17.214 ( 11.480 0.000 9.271) 14.756 20.169 ( 1.122 0.000 5.898) 6.004 20.511 ( -1.794 0.000 -1.697) 2.469 20.810 ( -1.677 0.000 5.811) 6.049 20.946 ( -1.614 0.000 -0.402) 1.664 20.966 ( 0.551 0.000 -0.333) 0.644 21.352 ( -4.783 0.000 -13.050) 13.899 21.839 ( -2.286 0.000 1.306) 2.633 23.000 ( 1.864 0.000 2.758) 3.329 ======================= Grid point 230 (111/170) ======================= q-point: (-0.38 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( -6.442 0.000 -0.158) 6.444 1.373 ( -12.034 0.000 9.360) 15.245 1.536 ( 1.846 0.000 0.764) 1.998 1.659 ( -2.414 0.000 -0.936) 2.589 1.822 ( -5.435 0.000 2.284) 5.895 2.009 ( -0.449 0.000 7.703) 7.716 2.190 ( -1.024 0.000 0.498) 1.139 2.395 ( -14.111 0.000 2.147) 14.274 2.604 ( -7.911 0.000 4.854) 9.282 2.935 ( -13.172 0.000 2.072) 13.334 3.147 ( 5.948 0.000 -4.909) 7.712 3.205 ( -13.040 0.000 4.794) 13.893 3.298 ( -8.761 0.000 5.408) 10.296 3.498 ( 2.443 0.000 4.297) 4.943 3.626 ( 6.777 0.000 1.212) 6.885 3.752 ( -6.253 0.000 5.525) 8.344 3.939 ( 8.582 0.000 -4.113) 9.517 4.067 ( -3.234 0.000 -3.835) 5.017 4.204 ( 2.786 0.000 2.605) 3.814 4.618 ( -4.056 0.000 -2.082) 4.559 4.749 ( 3.285 0.000 4.444) 5.527 4.945 ( 6.800 0.000 -2.082) 7.112 5.074 ( 8.656 0.000 -3.423) 9.308 5.409 ( 2.033 0.000 -4.369) 4.819 5.686 ( -2.253 0.000 3.487) 4.152 5.940 ( 1.239 0.000 -1.927) 2.291 6.237 ( -2.130 0.000 -0.549) 2.200 6.362 ( 1.261 0.000 4.996) 5.153 6.493 ( -5.134 0.000 -2.500) 5.710 6.977 ( 3.640 0.000 3.650) 5.155 7.753 ( -6.140 0.000 -10.760) 12.389 8.072 ( 9.344 0.000 -0.372) 9.352 8.225 ( -8.221 0.000 0.688) 8.250 8.819 ( 3.236 0.000 11.071) 11.534 9.110 ( -6.960 0.000 4.664) 8.379 9.695 ( 1.940 0.000 -9.754) 9.946 9.774 ( 1.207 0.000 0.534) 1.320 10.369 ( 15.305 0.000 -0.766) 15.324 11.849 ( 3.067 0.000 2.022) 3.674 12.244 ( -2.773 0.000 -3.675) 4.603 12.384 ( -2.342 0.000 -0.999) 2.547 12.670 ( 1.415 0.000 -3.802) 4.056 12.952 ( -0.285 0.000 -1.268) 1.299 13.142 ( -2.171 0.000 1.322) 2.542 13.858 ( -2.786 0.000 1.517) 3.172 17.376 ( 4.015 0.000 -6.682) 7.796 20.220 ( -1.064 0.000 3.043) 3.223 20.461 ( -1.551 0.000 -1.105) 1.904 20.866 ( 0.917 0.000 8.034) 8.086 20.915 ( -0.332 0.000 -0.717) 0.790 20.980 ( 1.327 0.000 -0.011) 1.327 21.197 ( -4.006 0.000 -3.880) 5.576 21.820 ( -2.279 0.000 3.061) 3.816 23.098 ( 7.662 0.000 0.207) 7.665 ======================= Grid point 231 (112/170) ======================= q-point: (-0.25 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( -12.813 0.000 0.102) 12.814 1.314 ( -9.939 0.000 14.496) 17.576 1.601 ( 2.798 0.000 4.719) 5.486 1.675 ( -0.693 0.000 8.395) 8.424 1.747 ( -4.194 0.000 1.546) 4.470 2.077 ( -2.617 0.000 5.117) 5.748 2.137 ( -7.659 0.000 6.160) 9.829 2.264 ( -2.044 0.000 5.065) 5.462 2.356 ( -18.540 0.000 1.884) 18.636 2.848 ( -7.370 0.000 5.295) 9.075 2.988 ( -14.342 0.000 10.035) 17.504 3.174 ( -8.464 0.000 7.694) 11.438 3.258 ( 4.110 0.000 -3.041) 5.113 3.616 ( 2.085 0.000 11.663) 11.848 3.683 ( -0.141 0.000 1.984) 1.989 3.766 ( 4.116 0.000 -1.047) 4.247 3.904 ( -4.631 0.000 -3.656) 5.900 4.035 ( 7.589 0.000 -7.582) 10.727 4.318 ( 5.488 0.000 1.850) 5.791 4.545 ( -1.092 0.000 -4.278) 4.415 4.854 ( 1.625 0.000 2.823) 3.257 5.038 ( 2.804 0.000 4.971) 5.708 5.215 ( 10.154 0.000 -3.632) 10.785 5.414 ( 2.578 0.000 -3.058) 3.999 5.627 ( -3.060 0.000 0.114) 3.063 6.058 ( 0.835 0.000 8.524) 8.565 6.181 ( 2.065 0.000 2.317) 3.104 6.413 ( 0.673 0.000 0.236) 0.714 6.556 ( 4.101 0.000 15.106) 15.653 7.045 ( 1.924 0.000 -2.043) 2.806 7.597 ( -0.782 0.000 -6.118) 6.168 7.980 ( -4.435 0.000 -5.227) 6.855 8.352 ( 7.462 0.000 7.379) 10.494 8.904 ( -8.678 0.000 11.041) 14.043 9.166 ( 7.179 0.000 8.087) 10.814 9.537 ( -6.695 0.000 -8.122) 10.526 9.820 ( 3.097 0.000 -3.170) 4.432 10.600 ( 17.352 0.000 -11.614) 20.880 11.933 ( 5.637 0.000 -1.004) 5.725 12.147 ( -4.236 0.000 -1.276) 4.424 12.317 ( -4.897 0.000 0.021) 4.897 12.672 ( 2.280 0.000 -3.380) 4.077 12.869 ( -3.508 0.000 -6.292) 7.204 13.144 ( -1.575 0.000 3.850) 4.159 13.811 ( -3.788 0.000 0.848) 3.882 17.182 ( -11.419 0.000 -21.361) 24.221 20.168 ( -4.012 0.000 -2.756) 4.867 20.465 ( -0.468 0.000 4.251) 4.277 20.894 ( 0.112 0.000 -0.125) 0.168 20.943 ( -0.600 0.000 1.344) 1.472 21.102 ( 10.166 0.000 2.328) 10.429 21.140 ( -2.787 0.000 9.195) 9.608 21.816 ( -1.461 0.000 2.942) 3.285 23.240 ( 9.292 0.000 -2.805) 9.706 ======================= Grid point 232 (113/170) ======================= q-point: (-0.12 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( -12.314 0.000 2.531) 12.571 1.256 ( -10.232 0.000 11.441) 15.348 1.661 ( -2.801 0.000 3.241) 4.284 1.739 ( 3.448 0.000 5.984) 6.906 1.760 ( -2.095 0.000 9.803) 10.024 1.973 ( -8.205 0.000 4.342) 9.283 2.147 ( -3.294 0.000 -3.018) 4.468 2.182 ( 0.538 0.000 6.735) 6.757 2.327 ( -0.588 0.000 11.439) 11.454 2.737 ( -9.581 0.000 8.915) 13.087 2.910 ( -7.877 0.000 9.302) 12.190 3.131 ( -6.250 0.000 10.186) 11.951 3.240 ( -4.617 0.000 1.362) 4.814 3.655 ( -3.555 0.000 -3.446) 4.951 3.717 ( 3.573 0.000 -3.198) 4.795 3.848 ( 5.098 0.000 11.826) 12.878 3.962 ( 4.982 0.000 3.265) 5.957 4.086 ( 8.383 0.000 -8.111) 11.665 4.390 ( 0.585 0.000 2.108) 2.188 4.501 ( 1.725 0.000 -6.792) 7.007 4.869 ( -1.660 0.000 3.372) 3.758 5.107 ( 0.394 0.000 3.578) 3.600 5.298 ( 2.418 0.000 -3.626) 4.358 5.400 ( -0.611 0.000 -2.959) 3.022 5.687 ( 9.470 0.000 1.265) 9.554 5.982 ( -8.352 0.000 0.942) 8.405 6.339 ( 2.015 0.000 7.602) 7.864 6.522 ( 7.679 0.000 5.030) 9.179 6.791 ( 4.043 0.000 14.816) 15.358 6.982 ( -1.296 0.000 -4.960) 5.126 7.626 ( 5.015 0.000 3.720) 6.245 7.955 ( 6.045 0.000 -3.327) 6.900 8.520 ( 3.690 0.000 7.111) 8.011 8.831 ( -7.852 0.000 7.463) 10.833 9.230 ( -5.552 0.000 -3.020) 6.320 9.505 ( 4.652 0.000 9.065) 10.189 9.805 ( -0.572 0.000 -4.453) 4.490 10.697 ( 10.045 0.000 -20.832) 23.128 11.961 ( 0.531 0.000 -4.479) 4.511 12.160 ( 5.165 0.000 0.373) 5.179 12.227 ( -5.094 0.000 1.395) 5.282 12.671 ( 0.296 0.000 -2.819) 2.835 12.761 ( -0.746 0.000 -7.493) 7.530 13.143 ( -1.714 0.000 2.392) 2.943 13.755 ( -3.142 0.000 0.366) 3.164 16.697 ( -21.102 0.000 -15.081) 25.937 20.076 ( -3.516 0.000 -2.277) 4.189 20.489 ( -1.281 0.000 3.838) 4.046 20.899 ( 0.402 0.000 0.097) 0.413 20.930 ( -1.492 0.000 0.362) 1.535 21.109 ( -2.044 0.000 2.276) 3.059 21.410 ( 12.644 0.000 6.297) 14.125 21.833 ( 1.449 0.000 2.735) 3.095 23.322 ( 2.870 0.000 -3.583) 4.591 ======================= Grid point 233 (114/170) ======================= q-point: ( 0.00 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( -0.528 19.691 3.043) 19.931 1.243 ( 1.061 0.329 6.672) 6.764 1.635 ( -1.173 2.301 5.203) 5.809 1.792 ( -1.661 -2.394 7.124) 7.697 1.848 ( -3.918 0.063 0.793) 3.998 1.938 ( 1.248 0.280 1.987) 2.363 2.174 ( 4.893 4.583 -1.410) 6.851 2.299 ( -0.243 3.870 0.606) 3.924 2.520 ( 2.858 4.058 12.396) 13.353 2.724 ( -5.187 2.306 5.680) 8.030 2.907 ( -2.245 1.689 10.187) 10.567 3.181 ( -4.317 4.770 -0.748) 6.476 3.248 ( -2.744 5.766 9.803) 11.699 3.548 ( -0.299 -2.132 -3.401) 4.025 3.825 ( 0.365 7.669 -1.419) 7.808 4.002 ( -2.151 3.783 2.001) 4.790 4.080 ( 3.880 2.945 4.752) 6.805 4.238 ( 0.962 6.580 -0.119) 6.651 4.369 ( -0.136 -3.656 -2.709) 4.552 4.577 ( 6.567 8.346 -4.570) 11.562 4.937 ( -3.208 0.994 5.628) 6.554 5.089 ( 0.001 3.419 -2.322) 4.133 5.251 ( -0.861 -3.991 1.151) 4.242 5.415 ( -1.216 8.175 -3.071) 8.817 5.748 ( -2.696 -9.270 2.134) 9.887 6.144 ( 7.216 18.685 -1.234) 20.067 6.405 ( -3.641 9.346 -0.469) 10.041 6.685 ( 4.957 -1.104 3.623) 6.238 6.829 ( -4.594 1.000 4.224) 6.320 7.094 ( 9.597 -1.061 2.746) 10.039 7.756 ( 3.257 -4.574 6.948) 8.933 8.043 ( 12.373 -3.875 1.706) 13.077 8.399 ( -10.101 -10.215 -1.579) 14.452 8.865 ( 2.923 2.674 8.852) 9.698 9.123 ( 1.517 -1.297 0.283) 2.016 9.611 ( -2.779 -4.078 3.793) 6.224 9.849 ( -0.890 8.902 2.633) 9.325 10.497 ( -2.783 -5.447 -19.919) 20.837 11.867 ( 0.516 -5.216 -1.374) 5.419 12.040 ( -0.126 -7.084 -1.396) 7.222 12.291 ( 3.013 -0.246 -2.190) 3.733 12.601 ( -4.265 -1.798 -2.393) 5.211 12.768 ( 4.541 4.632 -5.726) 8.652 13.159 ( -4.225 2.175 3.921) 6.161 13.930 ( 1.982 17.408 -4.973) 18.213 16.221 ( -8.265 -10.057 0.097) 13.018 20.023 ( -1.885 0.703 -0.705) 2.132 20.446 ( -0.907 -4.592 1.969) 5.078 20.866 ( -0.478 -2.608 1.098) 2.870 20.933 ( -1.566 2.304 1.394) 3.115 21.099 ( -2.269 0.997 2.050) 3.216 21.554 ( 3.587 -2.901 -1.826) 4.962 22.112 ( 7.449 14.235 0.001) 16.066 23.177 ( -4.574 -8.838 1.897) 10.131 ======================= Grid point 234 (115/170) ======================= q-point: ( 0.12 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 4.077 17.920 1.649) 18.452 1.359 ( 5.879 -4.126 0.771) 7.223 1.694 ( 2.827 6.003 5.828) 8.831 1.785 ( -1.018 -0.890 1.169) 1.787 1.867 ( 1.428 -0.168 6.972) 7.119 2.027 ( 7.974 -1.820 -0.669) 8.206 2.240 ( 4.806 5.465 -6.006) 9.436 2.313 ( 1.384 2.408 2.122) 3.495 2.619 ( -7.986 4.887 -1.198) 9.439 2.688 ( 3.964 0.634 8.809) 9.680 2.992 ( -1.910 -0.000 8.781) 8.986 3.183 ( 4.683 3.568 5.704) 8.197 3.313 ( 1.145 5.426 6.835) 8.802 3.523 ( 0.025 -2.268 -1.921) 2.973 3.807 ( -1.437 7.357 -0.577) 7.518 3.928 ( -6.582 7.223 1.717) 9.922 4.093 ( -4.934 3.062 -0.022) 5.807 4.242 ( 0.119 6.266 0.377) 6.279 4.359 ( 0.717 -2.626 -2.576) 3.748 4.664 ( 7.420 6.240 -5.716) 11.255 4.919 ( -4.692 2.002 4.794) 7.000 5.090 ( 2.134 4.429 -2.491) 5.511 5.263 ( 0.275 -7.336 1.129) 7.428 5.372 ( -1.019 9.659 -1.062) 9.770 5.768 ( 1.914 -8.619 4.155) 9.758 5.993 ( -11.973 19.642 -3.659) 23.293 6.497 ( 5.831 9.189 1.842) 11.037 6.678 ( -4.077 -5.093 -5.621) 8.611 6.910 ( 5.821 3.315 7.835) 10.309 7.191 ( 3.971 -1.438 -6.772) 7.981 7.802 ( -2.638 -7.544 -0.480) 8.006 8.067 ( -8.872 -4.851 -11.766) 15.515 8.412 ( 11.907 -2.701 9.537) 15.493 9.012 ( 7.226 -1.964 4.359) 8.664 9.141 ( 0.246 4.481 -3.579) 5.740 9.566 ( -4.158 -6.649 6.847) 10.410 9.842 ( -8.762 6.519 8.813) 14.033 10.205 ( -10.672 -3.187 -15.735) 19.278 11.840 ( -1.448 -3.097 -2.727) 4.373 12.055 ( 2.654 -6.169 1.227) 6.827 12.327 ( 4.676 -2.038 -5.211) 7.292 12.528 ( -3.047 -1.380 1.645) 3.728 12.803 ( 5.368 2.872 -5.291) 8.066 13.178 ( 1.024 3.431 5.049) 6.190 13.925 ( 1.843 14.989 -2.880) 15.374 16.216 ( 3.636 -8.628 5.731) 10.977 20.007 ( -0.371 0.639 1.369) 1.555 20.458 ( 0.146 -5.150 1.969) 5.516 20.858 ( -1.975 -0.598 1.539) 2.574 20.926 ( -0.916 0.821 1.793) 2.174 21.073 ( -2.396 1.338 1.227) 3.006 21.599 ( 3.710 -3.108 -1.651) 5.114 22.172 ( 2.795 12.585 -7.139) 14.736 23.089 ( -8.670 -7.036 4.853) 12.175 ======================= Grid point 235 (116/170) ======================= q-point: ( 0.25 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 4.791 11.453 0.167) 12.415 1.425 ( 3.201 -4.886 -1.693) 6.082 1.724 ( -0.781 1.438 0.741) 1.796 1.917 ( 4.924 2.789 7.178) 9.140 2.000 ( 9.247 6.331 2.120) 11.406 2.140 ( 4.356 -3.574 -1.926) 5.955 2.254 ( 5.808 3.890 -7.105) 9.967 2.345 ( -1.696 7.286 3.081) 8.091 2.491 ( -3.358 5.803 -1.136) 6.800 2.800 ( 3.416 0.496 4.775) 5.892 3.046 ( 2.065 -4.161 5.472) 7.178 3.316 ( 2.326 -2.399 2.390) 4.108 3.410 ( 3.894 2.988 1.271) 5.070 3.523 ( 1.583 2.099 2.510) 3.635 3.785 ( -1.520 8.242 1.761) 8.564 3.842 ( -6.208 9.044 3.768) 11.599 3.968 ( -7.997 6.598 -0.638) 10.388 4.212 ( -5.058 4.344 0.487) 6.685 4.321 ( 0.307 -0.111 -6.755) 6.763 4.716 ( 5.010 3.124 -5.157) 7.839 4.893 ( -3.993 6.866 7.099) 10.652 5.063 ( -0.234 4.299 -6.769) 8.022 5.250 ( -2.595 -4.520 -0.465) 5.233 5.373 ( 0.089 4.819 1.824) 5.154 5.752 ( -6.608 16.057 -0.989) 17.392 5.966 ( 8.650 -6.880 2.939) 11.437 6.482 ( -5.814 0.919 -3.732) 6.970 6.570 ( -1.854 5.133 -2.580) 6.037 7.039 ( 1.148 0.081 -3.573) 3.754 7.148 ( 2.250 -0.641 -8.042) 8.375 7.574 ( -14.188 -9.623 -10.335) 20.018 7.907 ( 0.301 0.371 -4.795) 4.819 8.663 ( 6.536 0.556 0.445) 6.575 9.066 ( 3.135 0.070 -4.700) 5.650 9.207 ( 7.583 -5.259 3.209) 9.770 9.621 ( -2.163 -8.430 10.722) 13.809 9.663 ( -13.504 1.420 -2.694) 13.843 9.922 ( -13.632 2.896 3.111) 14.279 11.790 ( -1.100 -1.651 -2.182) 2.949 12.146 ( 5.797 -5.747 1.226) 8.255 12.343 ( 2.565 -2.571 -4.544) 5.817 12.547 ( 2.024 -1.021 4.048) 4.640 12.851 ( 5.183 3.438 -4.225) 7.519 13.249 ( 1.590 6.116 3.763) 7.355 13.943 ( 1.781 12.240 -0.273) 12.372 16.412 ( 10.000 -11.365 9.847) 18.059 20.035 ( 0.981 0.587 3.443) 3.628 20.481 ( 0.351 -5.040 1.661) 5.318 20.830 ( -3.357 0.593 2.643) 4.313 20.934 ( -0.189 -0.308 1.725) 1.763 21.048 ( -1.066 2.700 0.255) 2.914 21.637 ( 2.001 -1.853 -2.433) 3.654 22.089 ( -1.540 11.070 -10.926) 15.629 22.982 ( -8.961 -7.213 4.938) 12.518 ======================= Grid point 236 (117/170) ======================= q-point: ( 0.38 0.12 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 4.359 6.166 1.099) 7.630 1.444 ( 0.795 -4.906 -1.820) 5.292 1.740 ( 0.605 2.704 2.469) 3.711 1.917 ( -6.420 1.912 -4.939) 8.322 2.003 ( -3.476 6.201 -8.775) 11.293 2.215 ( 0.917 -0.258 -0.371) 1.023 2.297 ( -3.297 6.413 4.204) 8.347 2.361 ( 8.406 3.053 0.943) 8.993 2.536 ( 4.359 8.238 5.499) 10.821 2.969 ( 11.024 -1.004 5.617) 12.413 3.126 ( 1.529 -4.473 3.113) 5.660 3.277 ( -3.654 -3.710 -7.490) 9.123 3.439 ( 3.008 -2.104 -3.489) 5.064 3.619 ( -0.383 6.380 4.034) 7.558 3.694 ( -5.818 3.256 -3.346) 7.460 3.802 ( -5.795 9.743 7.263) 13.463 3.903 ( -0.602 11.121 7.007) 13.158 4.102 ( -6.670 9.085 0.536) 11.283 4.277 ( 1.428 0.360 -5.080) 5.289 4.744 ( 1.792 1.058 -1.957) 2.857 4.889 ( -2.956 7.459 2.332) 8.355 5.011 ( 1.845 4.992 -5.813) 7.881 5.143 ( -6.555 0.537 -5.585) 8.629 5.406 ( 1.231 3.588 3.911) 5.448 5.673 ( -2.298 15.348 1.929) 15.638 6.075 ( 2.582 -8.833 -2.928) 9.657 6.330 ( -6.473 0.685 -8.095) 10.387 6.561 ( 2.816 6.404 -3.202) 7.694 6.865 ( -7.728 -3.426 -12.164) 14.813 7.042 ( -5.503 2.002 -10.310) 11.857 7.434 ( 1.682 -8.447 6.981) 11.086 7.909 ( 2.409 -2.648 -2.628) 4.441 8.599 ( -2.842 3.371 -11.991) 12.776 9.111 ( -10.445 -5.382 -4.020) 12.419 9.247 ( 2.052 -1.551 2.764) 3.775 9.508 ( 4.871 -1.350 -2.530) 5.652 9.644 ( -6.232 -7.075 6.421) 11.407 9.860 ( -1.663 -1.880 12.977) 13.218 11.774 ( 0.682 -0.237 -0.653) 0.974 12.237 ( 4.305 -3.902 -2.250) 6.231 12.350 ( 1.263 -5.020 0.260) 5.183 12.647 ( 5.367 -0.689 2.226) 5.851 12.898 ( 3.751 6.131 -2.224) 7.523 13.285 ( -0.039 8.093 1.268) 8.192 13.972 ( 0.787 10.546 1.405) 10.668 16.701 ( 11.005 -16.352 12.048) 23.101 20.097 ( 1.632 0.460 4.753) 5.047 20.492 ( -0.570 -3.964 0.882) 4.101 20.800 ( -3.360 -0.220 3.760) 5.047 20.948 ( 0.387 -0.208 0.913) 1.013 21.045 ( 0.555 5.315 0.232) 5.349 21.579 ( -3.363 1.046 -8.973) 9.639 21.979 ( -1.289 9.414 -5.656) 11.058 22.889 ( -5.618 -9.290 3.189) 11.316 ======================= Grid point 237 (118/170) ======================= q-point: (-0.50 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( -0.294 3.531 2.075) 4.106 1.423 ( -1.112 -3.448 -2.574) 4.444 1.655 ( -10.674 0.788 -4.992) 11.809 1.779 ( -1.297 4.027 -1.356) 4.443 1.884 ( -4.659 4.857 -0.221) 6.733 2.182 ( -2.948 7.099 0.286) 7.692 2.252 ( -2.498 5.584 1.433) 6.283 2.521 ( 2.828 0.523 6.122) 6.764 2.612 ( -3.609 3.595 4.352) 6.700 3.103 ( -6.415 -5.287 0.722) 8.345 3.143 ( 2.035 0.733 -5.652) 6.052 3.244 ( 8.662 -1.599 2.191) 9.077 3.397 ( -9.729 0.675 -1.881) 9.932 3.445 ( -2.434 0.683 -5.144) 5.732 3.667 ( -4.309 4.820 5.776) 8.669 3.909 ( -0.729 12.756 6.719) 14.436 3.931 ( 3.607 6.687 5.147) 9.177 4.073 ( 1.974 10.315 2.956) 10.910 4.266 ( 0.577 2.923 -3.071) 4.279 4.720 ( -3.694 -0.152 -0.428) 3.721 4.820 ( -4.572 4.191 -3.417) 7.081 4.950 ( 0.399 5.659 -4.570) 7.285 5.081 ( 4.631 8.997 -3.619) 10.747 5.470 ( 3.233 5.136 -0.253) 6.074 5.705 ( 0.837 9.563 6.049) 11.347 6.026 ( -3.145 -5.306 -9.791) 11.571 6.182 ( -1.267 0.692 -0.578) 1.555 6.449 ( -5.946 0.869 -8.545) 10.446 6.675 ( -6.152 -0.113 -9.476) 11.299 6.949 ( -0.305 3.367 3.325) 4.741 7.646 ( 12.334 -10.066 8.483) 18.039 7.880 ( -3.477 -5.766 -4.000) 7.832 8.434 ( -4.226 0.581 -13.258) 13.928 8.832 ( -10.331 -0.297 1.559) 10.452 9.257 ( -7.872 3.656 4.538) 9.794 9.590 ( 3.075 -6.976 -4.884) 9.054 9.658 ( 2.988 -5.539 7.656) 9.911 10.020 ( 10.105 -8.562 4.048) 13.849 11.796 ( 1.865 0.797 0.345) 2.057 12.241 ( 0.310 -4.073 -4.246) 5.892 12.386 ( 0.818 -4.285 1.876) 4.749 12.734 ( 4.224 1.419 -2.341) 5.034 12.941 ( 1.778 4.860 0.717) 5.224 13.277 ( -0.912 10.502 -0.473) 10.552 13.987 ( -0.843 10.147 1.806) 10.340 16.966 ( 7.975 -22.132 8.077) 24.873 20.165 ( 0.952 -0.109 4.575) 4.674 20.478 ( -1.347 -2.157 -0.039) 2.543 20.789 ( -2.321 -1.662 4.673) 5.476 20.962 ( 1.145 1.277 -0.753) 1.873 21.074 ( 2.083 8.272 1.333) 8.634 21.392 ( -6.036 3.099 -11.077) 12.990 21.932 ( -1.899 8.598 -0.034) 8.805 22.869 ( 0.903 -12.011 1.796) 12.178 ======================= Grid point 238 (119/170) ======================= q-point: (-0.38 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( -6.622 2.401 2.998) 7.655 1.338 ( -7.235 -0.363 2.606) 7.699 1.552 ( 0.074 0.217 2.599) 2.609 1.732 ( -3.177 6.801 0.480) 7.522 1.838 ( -4.180 3.094 5.367) 7.473 2.132 ( -3.176 3.685 0.682) 4.912 2.265 ( -0.720 8.847 6.603) 11.063 2.448 ( -11.869 6.110 0.168) 13.350 2.588 ( -5.927 -1.136 5.368) 8.077 2.924 ( -12.085 -1.356 2.733) 12.464 3.145 ( -0.904 -1.384 -5.360) 5.609 3.208 ( -6.678 1.463 2.299) 7.213 3.322 ( -3.143 2.714 0.848) 4.238 3.474 ( 5.586 -0.143 3.876) 6.801 3.664 ( -2.746 0.761 6.089) 6.723 3.862 ( -5.035 11.910 4.042) 13.547 4.083 ( -2.734 2.444 -4.192) 5.569 4.112 ( 9.370 11.492 -2.810) 15.092 4.257 ( 2.854 5.856 0.104) 6.515 4.651 ( -3.726 3.224 0.777) 4.988 4.788 ( 2.495 3.977 3.396) 5.794 5.003 ( 7.214 1.363 -1.327) 7.460 5.142 ( 5.905 10.294 -4.472) 12.682 5.487 ( 1.274 5.979 -4.015) 7.313 5.772 ( -0.615 8.543 4.427) 9.642 5.897 ( -0.723 -3.840 -2.876) 4.852 6.212 ( -0.144 -1.210 0.971) 1.558 6.360 ( 0.335 -0.020 3.084) 3.102 6.508 ( -4.590 1.529 -2.092) 5.271 7.007 ( 2.345 1.740 2.920) 4.130 7.696 ( -5.838 -4.920 -8.313) 11.287 7.963 ( 11.591 -9.772 3.631) 15.590 8.205 ( -9.501 -1.484 -2.676) 9.981 8.881 ( 7.293 3.106 8.168) 11.382 9.128 ( -11.546 2.100 5.941) 13.153 9.508 ( -5.917 -13.572 -4.547) 15.489 9.802 ( 6.756 1.231 1.209) 6.973 10.254 ( 16.765 -10.694 -4.090) 20.302 11.835 ( 2.587 0.048 -0.621) 2.661 12.184 ( -2.363 -4.438 -4.017) 6.436 12.390 ( -1.999 -1.793 0.822) 2.808 12.758 ( 2.668 4.463 -4.033) 6.581 12.937 ( -2.469 0.108 -1.870) 3.099 13.267 ( -0.100 12.738 0.855) 12.767 13.977 ( -1.826 11.050 1.063) 11.250 17.070 ( 0.325 -26.392 -3.421) 26.614 20.196 ( -1.192 -1.215 1.777) 2.461 20.456 ( -1.167 -0.294 0.461) 1.288 20.806 ( -0.928 -3.039 4.821) 5.774 20.973 ( 1.416 3.147 -1.813) 3.898 21.140 ( 3.749 10.004 0.113) 10.684 21.227 ( -4.154 3.637 -1.766) 5.797 21.906 ( -2.227 8.220 2.086) 8.768 22.949 ( 6.715 -13.501 0.724) 15.097 ======================= Grid point 239 (120/170) ======================= q-point: (-0.25 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( -8.109 8.337 1.644) 11.746 1.279 ( -6.763 -2.483 9.623) 12.021 1.609 ( -2.845 2.672 6.959) 7.979 1.714 ( -0.459 3.268 8.778) 9.378 1.831 ( -2.299 5.247 3.734) 6.838 2.092 ( -5.178 -2.244 3.684) 6.739 2.234 ( -9.255 10.327 0.760) 13.889 2.331 ( -3.202 6.339 8.344) 10.957 2.435 ( -10.876 8.383 0.509) 13.741 2.839 ( -6.248 -1.922 5.821) 8.753 2.951 ( -14.063 -1.993 7.739) 16.176 3.209 ( 1.306 2.142 -1.806) 3.091 3.310 ( -0.441 4.167 1.546) 4.466 3.597 ( -0.789 -0.221 10.369) 10.401 3.703 ( 3.878 1.194 3.396) 5.292 3.830 ( -0.930 6.500 1.580) 6.754 3.958 ( -4.483 6.479 -2.057) 8.143 4.203 ( 6.051 11.737 -7.259) 15.068 4.338 ( 5.658 1.339 -0.979) 5.897 4.604 ( -1.634 6.316 -1.828) 6.775 4.891 ( 2.201 2.361 5.441) 6.326 5.102 ( 1.895 2.391 0.761) 3.144 5.204 ( 7.864 4.182 -5.205) 10.316 5.478 ( 0.731 4.020 -1.288) 4.285 5.754 ( -0.033 10.051 -0.050) 10.052 5.943 ( -0.029 -5.794 3.760) 6.907 6.239 ( 2.674 3.803 6.895) 8.316 6.416 ( 2.348 0.171 0.605) 2.431 6.551 ( 3.904 -0.033 13.464) 14.019 7.058 ( 1.653 0.333 -1.168) 2.052 7.589 ( 0.907 -0.718 -4.011) 4.175 7.926 ( -4.588 -5.193 -7.141) 9.950 8.306 ( 7.399 -3.946 12.228) 14.827 8.938 ( -11.426 1.193 3.610) 12.042 9.142 ( 3.001 -4.420 12.219) 13.336 9.371 ( -1.040 -8.326 -4.198) 9.382 9.885 ( 3.480 3.595 -2.469) 5.580 10.492 ( 18.088 -10.167 -10.952) 23.463 11.862 ( 2.286 -3.748 -2.866) 5.243 12.104 ( -2.713 -3.457 -2.720) 5.168 12.341 ( -4.136 0.725 0.832) 4.281 12.761 ( 2.077 4.957 -4.272) 6.866 12.835 ( -4.650 -1.766 -5.208) 7.202 13.272 ( -1.824 10.783 2.023) 11.122 13.953 ( -0.669 13.731 -0.967) 13.781 16.889 ( -11.900 -24.845 -13.567) 30.708 20.155 ( -3.072 -0.678 -1.828) 3.639 20.451 ( -1.135 -1.128 2.268) 2.776 20.836 ( -0.022 -3.749 3.054) 4.835 20.970 ( -0.344 3.753 -0.993) 3.897 21.122 ( -1.025 0.631 -1.143) 1.660 21.318 ( 6.812 10.626 7.025) 14.445 21.902 ( -0.233 8.817 2.604) 9.197 23.087 ( 8.321 -13.476 -0.394) 15.843 ======================= Grid point 240 (121/170) ======================= q-point: (-0.12 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( -5.769 16.100 2.384) 17.268 1.238 ( -7.101 -1.191 7.945) 10.722 1.614 ( -3.244 0.211 8.144) 8.769 1.770 ( -3.127 4.070 5.643) 7.628 1.865 ( 0.481 2.680 6.800) 7.325 1.974 ( -8.055 -1.783 0.774) 8.287 2.155 ( -3.090 5.269 2.040) 6.440 2.297 ( -3.059 9.526 3.679) 10.660 2.403 ( -0.313 6.094 7.839) 9.933 2.748 ( -8.646 -0.137 9.362) 12.744 2.897 ( -4.079 -0.311 7.021) 8.125 3.213 ( -3.146 4.068 6.766) 8.499 3.280 ( -4.001 5.287 -0.347) 6.640 3.597 ( -2.091 -2.018 -1.914) 3.480 3.816 ( 1.530 6.340 1.902) 6.794 3.908 ( 5.139 4.402 10.716) 12.674 3.956 ( 3.703 3.058 1.459) 5.019 4.219 ( 4.267 9.008 -6.532) 11.917 4.392 ( 1.057 -0.823 -1.299) 1.865 4.559 ( 0.784 6.791 -4.641) 8.262 4.938 ( -2.324 2.701 5.573) 6.615 5.104 ( 0.557 3.726 -1.868) 4.205 5.264 ( 0.752 -1.856 -0.662) 2.109 5.459 ( -0.494 4.738 -3.201) 5.739 5.790 ( -1.546 -4.126 2.224) 4.936 5.959 ( 7.128 11.445 -1.194) 13.536 6.383 ( 2.840 2.940 9.609) 10.443 6.544 ( 7.711 1.691 4.351) 9.014 6.802 ( 7.450 0.529 15.422) 17.135 6.994 ( -5.243 1.943 -5.067) 7.546 7.627 ( 4.580 -0.874 1.996) 5.072 7.885 ( 5.010 -5.683 -1.273) 7.682 8.489 ( 0.077 -5.717 7.493) 9.425 8.797 ( -6.661 0.403 6.292) 9.172 9.140 ( -4.493 -9.286 1.651) 10.447 9.504 ( 7.839 0.933 7.062) 10.592 9.878 ( -0.047 5.657 -4.506) 7.233 10.614 ( 9.995 -7.835 -17.642) 21.738 11.865 ( 1.019 -6.907 -1.885) 7.232 12.059 ( 0.135 -5.553 -2.703) 6.177 12.287 ( -2.277 2.559 0.791) 3.515 12.705 ( -4.128 -0.846 -4.626) 6.258 12.759 ( 2.493 3.399 -5.475) 6.910 13.227 ( -5.538 5.852 2.310) 8.381 13.940 ( 1.666 17.041 -3.992) 17.582 16.499 ( -17.608 -16.970 -9.795) 26.344 20.080 ( -3.066 0.444 -2.142) 3.766 20.449 ( -1.475 -3.323 2.218) 4.259 20.857 ( 0.079 -3.409 1.483) 3.718 20.951 ( -1.481 3.006 0.618) 3.408 21.110 ( -1.097 0.549 1.520) 1.953 21.482 ( 5.854 2.341 2.091) 6.642 21.970 ( 5.388 12.993 3.368) 14.464 23.187 ( 3.115 -11.718 -0.636) 12.141 ======================= Grid point 241 (122/170) ======================= q-point: ( 0.00 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( -0.324 -3.132 3.711) 4.867 1.375 ( 0.653 5.798 -1.041) 5.927 1.701 ( -2.671 1.157 8.140) 8.645 1.783 ( 2.594 5.247 3.909) 7.038 1.910 ( -3.758 6.961 2.190) 8.208 1.956 ( -1.444 3.994 1.037) 4.371 2.293 ( 3.346 5.303 0.460) 6.287 2.375 ( -3.667 3.215 -1.432) 5.083 2.590 ( 1.438 1.691 7.353) 7.681 2.761 ( -3.146 0.835 7.858) 8.505 2.937 ( -0.069 2.096 5.097) 5.512 3.233 ( -5.654 1.049 3.058) 6.513 3.430 ( 4.034 7.768 0.406) 8.762 3.529 ( -2.571 1.966 -3.255) 4.590 3.967 ( -3.822 4.318 1.678) 6.006 4.086 ( 3.548 1.874 3.726) 5.475 4.157 ( 2.576 3.043 1.299) 4.193 4.288 ( -0.629 4.420 0.673) 4.515 4.457 ( -2.936 9.700 2.760) 10.504 4.730 ( 6.280 5.940 -6.256) 10.670 4.949 ( -3.288 2.928 7.028) 8.294 5.143 ( -1.975 0.208 -0.398) 2.025 5.321 ( -0.626 6.821 -2.492) 7.289 5.524 ( 3.302 -4.640 0.054) 5.695 5.656 ( -2.379 9.386 -2.068) 9.901 6.371 ( 4.927 -1.090 7.315) 8.887 6.635 ( 0.732 9.204 -3.857) 10.006 6.681 ( 5.075 5.181 0.609) 7.278 6.945 ( -6.622 11.568 4.014) 13.921 7.099 ( 7.665 1.970 5.650) 9.724 7.564 ( 2.697 -13.219 2.860) 13.791 7.945 ( 5.968 -5.489 5.530) 9.814 8.259 ( -5.260 -2.206 4.403) 7.205 8.806 ( -0.387 -10.743 1.829) 10.904 9.101 ( 8.952 0.499 5.981) 10.778 9.531 ( -4.821 -3.330 -2.150) 6.241 10.036 ( 1.209 7.905 2.509) 8.382 10.368 ( -3.731 -6.118 -10.666) 12.850 11.769 ( 0.028 -2.292 0.913) 2.467 11.947 ( 2.196 -1.171 -6.362) 6.832 12.266 ( 1.182 -2.091 -4.926) 5.480 12.512 ( -2.627 -6.104 -4.815) 8.206 12.912 ( 0.853 7.303 -1.947) 7.606 13.202 ( -3.021 1.168 3.246) 4.585 14.355 ( 0.821 23.197 -6.478) 24.099 15.971 ( -3.621 -13.641 0.151) 14.114 20.044 ( -1.853 1.413 -0.754) 2.449 20.338 ( -1.241 -5.551 0.189) 5.692 20.831 ( -0.457 -0.658 2.675) 2.792 20.961 ( -2.962 -0.205 2.905) 4.154 21.151 ( -0.647 4.070 -0.285) 4.131 21.474 ( 2.379 -4.446 -1.978) 5.417 22.404 ( 5.637 12.605 0.872) 13.836 22.971 ( -1.862 -9.928 2.755) 10.470 ======================= Grid point 242 (123/170) ======================= q-point: ( 0.12 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( 3.695 -6.459 0.811) 7.485 1.392 ( 3.558 7.535 0.565) 8.352 1.719 ( -3.939 -0.048 3.173) 5.058 1.856 ( 5.771 5.395 2.569) 8.307 1.951 ( 4.737 8.978 4.871) 11.260 1.998 ( 3.205 0.487 2.249) 3.946 2.329 ( 2.411 4.517 -3.297) 6.090 2.420 ( 7.521 5.013 2.103) 9.280 2.679 ( 0.584 -1.049 4.146) 4.316 2.716 ( -4.119 3.281 1.241) 5.410 2.990 ( -2.058 -0.156 5.288) 5.677 3.207 ( -1.231 -0.536 8.156) 8.265 3.421 ( -1.931 1.536 -4.504) 5.136 3.565 ( 6.443 7.813 0.791) 10.158 3.927 ( -2.254 3.943 2.459) 5.165 4.120 ( -4.161 9.679 1.453) 10.635 4.161 ( 1.273 -0.944 0.046) 1.585 4.293 ( -1.232 5.310 0.028) 5.451 4.446 ( -1.214 9.475 1.689) 9.701 4.766 ( 4.240 3.888 -5.787) 8.160 4.983 ( -1.356 5.143 7.403) 9.116 5.150 ( 1.884 -1.159 1.474) 2.658 5.262 ( -2.515 5.031 -3.499) 6.624 5.527 ( -2.416 -1.008 -3.221) 4.151 5.663 ( 4.796 7.110 2.054) 8.819 6.397 ( -6.488 10.701 -1.462) 12.599 6.543 ( -4.488 0.043 -4.218) 6.159 6.699 ( 1.103 8.300 0.201) 8.375 7.014 ( 4.416 7.444 6.926) 11.085 7.176 ( 1.267 0.316 -5.043) 5.210 7.579 ( -3.803 -12.127 -2.409) 12.935 7.960 ( -4.390 -5.430 -1.702) 7.187 8.374 ( 10.411 -1.404 7.251) 12.764 8.863 ( 5.191 -12.656 1.809) 13.798 9.207 ( 0.054 0.583 -5.955) 5.984 9.438 ( -3.552 -4.639 4.926) 7.642 9.999 ( -10.820 7.611 1.878) 13.362 10.155 ( -9.127 -0.859 -4.650) 10.279 11.787 ( 0.961 -1.728 -0.647) 2.081 11.943 ( 2.895 -2.579 -2.689) 4.718 12.261 ( 3.899 -4.073 -5.995) 8.230 12.448 ( -2.033 -5.733 0.023) 6.083 12.906 ( 1.920 6.137 -1.202) 6.541 13.276 ( 5.689 3.585 3.972) 7.810 14.306 ( -0.889 22.075 -3.248) 22.330 15.984 ( 3.120 -13.546 2.720) 14.164 20.027 ( -0.369 1.444 1.337) 2.003 20.338 ( 0.414 -6.069 1.214) 6.203 20.849 ( -0.150 -0.101 2.009) 2.017 20.931 ( -3.837 -0.560 3.376) 5.142 21.138 ( -0.249 4.663 -0.344) 4.682 21.518 ( 4.396 -4.598 -1.617) 6.563 22.434 ( -0.308 11.574 -4.705) 12.497 22.922 ( -6.555 -8.296 2.868) 10.956 ======================= Grid point 243 (124/170) ======================= q-point: ( 0.25 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( 2.392 -4.054 -0.110) 4.709 1.458 ( 2.450 11.722 -1.170) 12.032 1.712 ( 0.803 -2.438 3.693) 4.497 1.977 ( 2.801 -0.906 -0.326) 2.962 2.072 ( 5.416 1.666 2.103) 6.044 2.115 ( 6.838 5.463 5.251) 10.206 2.379 ( 4.932 7.646 -3.055) 9.598 2.491 ( -3.682 4.208 -0.137) 5.593 2.633 ( 2.663 7.029 -0.825) 7.562 2.793 ( 4.209 -1.487 4.084) 6.051 2.993 ( 0.426 -1.150 3.285) 3.506 3.277 ( -1.207 -1.315 5.042) 5.349 3.373 ( 0.062 -3.210 -0.723) 3.291 3.652 ( 3.694 6.711 -1.470) 7.800 3.946 ( -0.148 7.774 2.780) 8.257 4.044 ( -4.839 10.543 -0.008) 11.600 4.169 ( -1.161 5.721 1.907) 6.141 4.250 ( -1.088 4.412 -2.004) 4.966 4.422 ( -2.141 9.859 -1.359) 10.180 4.774 ( 0.719 2.332 -1.859) 3.067 5.031 ( -0.265 6.036 6.442) 8.832 5.153 ( -1.444 1.982 -2.479) 3.487 5.221 ( -0.088 1.741 -1.102) 2.062 5.462 ( -1.215 3.245 -1.319) 3.707 5.797 ( 8.575 -0.963 0.179) 8.631 6.251 ( -6.669 22.971 -3.459) 24.168 6.407 ( -5.098 -5.825 -4.330) 8.870 6.723 ( 0.497 7.761 -0.915) 7.830 7.024 ( -4.557 -1.138 -10.719) 11.703 7.161 ( 0.335 1.418 2.470) 2.868 7.377 ( -10.411 -7.207 -8.599) 15.306 7.884 ( -1.342 -3.106 -3.522) 4.884 8.599 ( 8.173 -6.706 1.615) 10.694 9.005 ( 8.767 -14.217 1.294) 16.753 9.068 ( -4.141 -0.281 -8.153) 9.149 9.448 ( -4.831 -6.650 6.022) 10.190 9.741 ( -14.787 5.665 -0.228) 15.837 10.004 ( -10.313 4.366 3.952) 11.876 11.786 ( 1.896 1.413 -3.406) 4.146 12.013 ( 5.378 -5.277 1.551) 7.692 12.260 ( 1.804 -5.170 -5.874) 8.030 12.466 ( 2.302 -5.798 3.854) 7.332 12.970 ( 5.697 7.517 -0.480) 9.444 13.410 ( 4.875 5.986 4.021) 8.704 14.275 ( -0.664 20.732 -0.428) 20.747 16.107 ( 6.363 -17.639 5.420) 19.519 20.056 ( 1.097 1.589 3.301) 3.824 20.369 ( 1.249 -5.405 2.199) 5.967 20.844 ( -3.154 0.614 1.965) 3.766 20.911 ( -1.122 -1.427 2.843) 3.373 21.144 ( 1.416 5.848 -0.298) 6.025 21.579 ( 3.695 -3.765 -1.324) 5.439 22.323 ( -4.374 10.400 -8.598) 14.185 22.809 ( -8.683 -8.473 1.319) 12.203 ======================= Grid point 244 (125/170) ======================= q-point: ( 0.38 0.25 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 0.478 -2.154 0.772) 2.337 1.480 ( 2.434 10.695 -1.286) 11.043 1.764 ( -0.361 -2.024 2.017) 2.880 1.923 ( -5.270 1.071 -3.169) 6.242 2.154 ( 1.765 2.401 -3.978) 4.970 2.200 ( -1.292 5.073 -0.736) 5.286 2.379 ( -0.403 -1.664 5.652) 5.905 2.473 ( 1.513 8.440 -0.895) 8.621 2.686 ( 0.408 4.067 2.890) 5.006 2.939 ( 9.550 -1.720 2.029) 9.914 3.056 ( 1.514 -2.576 2.559) 3.934 3.274 ( 0.755 3.183 -2.039) 3.854 3.364 ( -0.356 -4.515 -2.036) 4.966 3.673 ( -2.022 1.574 0.275) 2.577 3.854 ( -7.989 9.410 -3.965) 12.965 4.004 ( -1.876 11.283 4.284) 12.214 4.185 ( 1.362 8.837 2.429) 9.266 4.278 ( 6.690 4.898 -5.078) 9.723 4.366 ( -4.011 14.901 3.379) 15.797 4.750 ( -3.516 -0.171 2.058) 4.078 5.058 ( -3.569 8.268 2.157) 9.260 5.128 ( 0.944 4.594 -2.571) 5.348 5.199 ( 2.676 4.477 -3.622) 6.351 5.480 ( 1.321 3.678 4.421) 5.901 5.912 ( 5.805 -5.301 -4.327) 8.973 6.097 ( -7.094 21.316 -2.512) 22.606 6.324 ( -2.020 -0.656 -4.750) 5.204 6.674 ( -2.620 4.479 -8.661) 10.097 6.806 ( -4.795 -1.833 -11.712) 12.787 7.046 ( -5.675 -1.985 -7.559) 9.658 7.288 ( -2.233 -3.595 9.553) 10.449 7.836 ( -0.819 -4.893 -4.235) 6.523 8.604 ( -0.824 -3.324 -12.889) 13.336 8.926 ( -9.012 -10.424 -2.554) 14.014 9.167 ( 8.018 -9.096 2.824) 12.450 9.429 ( -3.644 -6.057 9.056) 11.488 9.566 ( -6.025 2.861 1.726) 6.890 9.882 ( -6.222 2.947 1.782) 7.111 11.805 ( 3.351 3.302 -2.241) 5.211 12.123 ( 5.573 -5.811 0.082) 8.052 12.229 ( -0.095 -5.643 -2.494) 6.170 12.572 ( 5.452 -6.106 3.157) 8.774 13.060 ( 4.403 9.352 -0.165) 10.338 13.501 ( 1.932 8.475 2.994) 9.193 14.273 ( 0.029 19.701 0.904) 19.721 16.278 ( 6.231 -23.454 7.207) 25.315 20.117 ( 1.760 1.733 4.240) 4.907 20.411 ( 0.830 -3.687 2.741) 4.668 20.796 ( -4.293 -0.081 2.741) 5.094 20.932 ( 0.817 -1.349 1.384) 2.098 21.182 ( 3.025 7.159 0.269) 7.777 21.585 ( -1.197 -0.586 -4.167) 4.375 22.184 ( -2.363 8.918 -6.605) 11.346 22.664 ( -7.715 -11.041 -0.967) 13.504 ======================= Grid point 245 (126/170) ======================= q-point: (-0.50 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( -1.861 -1.642 0.702) 2.579 1.500 ( -0.379 8.330 -1.397) 8.455 1.647 ( -7.690 0.779 -4.047) 8.725 1.871 ( -2.468 4.580 4.766) 7.055 2.048 ( -5.300 8.649 -2.544) 10.458 2.180 ( -1.428 -2.180 -2.605) 3.685 2.404 ( -3.082 1.646 5.172) 6.241 2.516 ( -0.177 1.210 5.149) 5.292 2.694 ( -0.094 3.057 -0.697) 3.137 2.994 ( -5.688 -4.458 1.796) 7.447 3.138 ( 5.540 -2.957 -1.704) 6.507 3.244 ( 1.052 -0.927 -7.604) 7.732 3.376 ( 2.099 3.286 3.462) 5.214 3.555 ( -6.587 5.726 -5.066) 10.092 3.719 ( -5.975 3.487 3.609) 7.803 4.086 ( 3.440 8.411 5.904) 10.837 4.205 ( -0.261 7.285 -0.086) 7.291 4.286 ( -2.468 12.133 -1.564) 12.480 4.423 ( 6.846 13.653 0.523) 15.283 4.705 ( -3.598 0.286 2.918) 4.641 4.969 ( -6.046 7.750 0.587) 9.847 5.091 ( -0.831 9.551 -3.934) 10.362 5.277 ( 7.176 7.397 -2.181) 10.535 5.566 ( 3.000 4.296 4.645) 7.002 5.904 ( 0.092 -3.840 -9.291) 10.053 5.995 ( -3.786 13.054 2.289) 13.783 6.241 ( -0.477 6.929 -3.993) 8.012 6.471 ( -7.199 1.263 -7.339) 10.358 6.676 ( -3.707 0.255 -9.072) 9.804 6.984 ( 0.303 -0.631 1.265) 1.446 7.426 ( 7.408 -9.425 12.610) 17.399 7.746 ( -5.001 -7.363 -5.675) 10.556 8.393 ( -6.617 -4.386 -16.787) 18.570 8.802 ( -2.895 -2.322 3.770) 5.290 9.227 ( -10.584 -10.113 6.590) 16.054 9.422 ( 0.421 -4.492 5.832) 7.374 9.631 ( 5.110 0.030 2.664) 5.763 9.856 ( 6.540 -4.303 -4.186) 8.877 11.849 ( 3.550 4.106 -1.922) 5.758 12.148 ( 0.395 -4.582 -4.837) 6.674 12.255 ( 2.808 -6.247 1.659) 7.047 12.682 ( 5.034 -6.043 0.172) 7.867 13.098 ( -0.108 10.159 -0.047) 10.159 13.535 ( -0.321 9.890 1.793) 10.057 14.288 ( 0.743 19.951 0.744) 19.979 16.423 ( 3.186 -28.683 5.392) 29.358 20.179 ( 0.875 1.691 3.410) 3.906 20.442 ( -0.177 -1.566 2.494) 2.951 20.761 ( -2.954 -0.832 3.609) 4.738 20.958 ( 1.310 -1.752 0.241) 2.201 21.253 ( 4.296 7.963 1.564) 9.182 21.460 ( -5.836 3.773 -7.672) 10.352 22.130 ( -0.619 8.818 -1.832) 9.027 22.568 ( -1.125 -15.505 -1.180) 15.591 ======================= Grid point 246 (127/170) ======================= q-point: (-0.38 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( -5.108 -0.558 3.272) 6.092 1.446 ( -3.803 7.564 0.859) 8.510 1.572 ( -1.032 3.280 3.218) 4.709 1.850 ( -6.071 4.996 4.499) 9.058 1.984 ( -2.662 8.725 3.164) 9.655 2.113 ( -3.574 -2.433 -0.142) 4.326 2.386 ( -5.313 1.115 6.374) 8.373 2.538 ( -2.546 -0.276 5.452) 6.024 2.674 ( 0.705 8.120 -3.989) 9.074 2.886 ( -9.945 -2.076 3.642) 10.793 3.069 ( -7.276 -4.303 -2.883) 8.931 3.240 ( 3.307 0.361 -1.864) 3.813 3.430 ( -2.011 6.851 -3.961) 8.165 3.507 ( 5.312 2.875 4.614) 7.601 3.687 ( -4.588 3.078 8.615) 10.235 4.117 ( -6.619 7.531 -2.084) 10.240 4.181 ( 1.045 5.247 -1.143) 5.471 4.234 ( 0.281 8.627 -0.607) 8.653 4.531 ( 5.413 15.405 -2.338) 16.495 4.706 ( -0.987 2.240 4.529) 5.148 4.914 ( -0.814 6.478 2.444) 6.971 5.072 ( 1.573 7.731 -0.453) 7.902 5.355 ( 5.034 7.833 -4.703) 10.431 5.611 ( -1.211 5.725 -1.761) 6.111 5.795 ( -1.753 -3.597 -4.501) 6.022 6.016 ( -0.913 9.405 7.433) 12.022 6.256 ( 5.286 7.621 -2.178) 9.527 6.367 ( -1.967 0.971 0.737) 2.314 6.557 ( -2.950 3.506 -0.888) 4.667 7.004 ( 0.387 -2.430 1.164) 2.722 7.581 ( -3.364 -5.818 -3.314) 7.493 7.737 ( 10.780 -11.116 7.413) 17.168 8.152 ( -7.301 -3.618 -4.465) 9.292 8.861 ( 1.063 -6.144 5.120) 8.068 9.068 ( -10.083 -7.455 3.402) 12.993 9.426 ( -4.534 7.060 3.011) 8.914 9.748 ( 6.025 -9.342 4.044) 11.829 10.029 ( 17.638 -7.121 -7.877) 20.588 11.876 ( 2.298 3.559 -3.855) 5.728 12.095 ( -1.035 -3.914 -4.873) 6.336 12.305 ( 1.806 -4.650 -0.057) 4.989 12.733 ( 2.973 -5.931 -4.158) 7.830 13.054 ( -4.634 10.349 -0.111) 11.340 13.523 ( -3.082 8.466 1.583) 9.148 14.312 ( 2.348 21.745 -0.956) 21.892 16.458 ( -2.561 -30.789 -0.087) 30.895 20.196 ( -1.216 1.417 0.856) 2.054 20.449 ( -1.165 -0.546 1.399) 1.900 20.763 ( -1.260 -1.210 4.338) 4.676 20.979 ( 1.064 -2.350 -0.170) 2.586 21.290 ( -4.979 4.915 -5.434) 8.858 21.357 ( 4.347 7.840 2.503) 9.307 22.103 ( -0.938 9.002 -0.336) 9.057 22.621 ( 6.703 -16.424 1.102) 17.773 ======================= Grid point 247 (128/170) ======================= q-point: (-0.25 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( -2.766 -0.506 6.175) 6.785 1.369 ( -5.302 12.055 1.356) 13.239 1.666 ( 2.296 -0.678 9.078) 9.388 1.764 ( -7.246 4.535 5.504) 10.166 1.946 ( -6.184 3.425 3.913) 8.080 2.091 ( -2.830 4.564 4.626) 7.088 2.356 ( -3.560 2.734 4.863) 6.617 2.502 ( -6.867 7.296 2.804) 10.404 2.622 ( -4.385 3.351 -3.014) 6.289 2.778 ( -5.567 -1.841 5.245) 7.867 2.934 ( -8.088 2.379 4.989) 9.796 3.271 ( 1.844 2.695 -2.621) 4.187 3.387 ( 0.807 3.852 -1.823) 4.338 3.610 ( -0.893 1.077 7.308) 7.441 3.757 ( 3.984 4.583 9.336) 11.137 3.979 ( -5.105 7.219 -0.511) 8.856 4.159 ( -3.608 10.431 0.629) 11.055 4.261 ( 5.381 -0.494 -5.429) 7.660 4.550 ( -0.125 14.353 -1.638) 14.447 4.716 ( -0.752 2.828 -0.503) 2.970 4.965 ( 1.057 4.453 3.225) 5.599 5.133 ( 4.103 3.821 2.008) 5.956 5.357 ( 2.255 7.420 -7.585) 10.847 5.536 ( -3.870 1.441 -0.478) 4.157 5.748 ( -2.018 -3.046 -1.778) 4.064 6.092 ( 1.236 8.288 9.132) 12.394 6.359 ( 6.356 8.278 -0.520) 10.450 6.415 ( 4.478 1.706 6.800) 8.319 6.585 ( 3.686 4.145 7.814) 9.582 7.035 ( 2.327 -2.432 1.205) 3.575 7.567 ( 3.347 -1.473 -1.604) 3.993 7.787 ( -3.501 -7.452 -5.309) 9.796 8.216 ( 4.895 -4.458 15.401) 16.764 8.818 ( -10.162 -15.518 8.376) 20.353 8.977 ( -3.961 -2.491 -2.229) 5.183 9.446 ( 4.641 10.130 3.240) 11.604 9.878 ( 5.331 -6.278 1.945) 8.462 10.259 ( 17.289 -9.506 -8.822) 21.612 11.850 ( -0.110 2.296 -5.637) 6.088 12.032 ( -0.691 -2.991 -5.367) 6.183 12.316 ( 0.448 -2.363 -1.475) 2.822 12.708 ( 0.527 -6.403 -7.748) 10.065 12.961 ( -5.191 10.291 -0.188) 11.527 13.450 ( -7.516 4.848 1.920) 9.148 14.350 ( 4.501 23.652 -4.009) 24.408 16.331 ( -9.188 -27.305 -4.696) 29.190 20.159 ( -2.498 1.267 -1.411) 3.136 20.423 ( -2.489 -1.686 -0.092) 3.007 20.789 ( -0.541 -1.067 4.185) 4.353 20.988 ( -0.422 -2.222 0.792) 2.397 21.190 ( -1.806 5.618 -3.000) 6.620 21.444 ( 1.975 2.422 2.692) 4.125 22.127 ( 3.969 10.723 1.434) 11.523 22.778 ( 8.481 -14.608 2.777) 17.119 ======================= Grid point 248 (129/170) ======================= q-point: (-0.12 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( -5.786 -0.798 1.740) 6.094 1.347 ( 0.023 10.637 3.835) 11.308 1.688 ( -4.478 6.650 8.551) 11.721 1.765 ( -2.692 -6.349 2.465) 7.324 1.905 ( -2.981 4.590 7.312) 9.133 2.041 ( -6.117 8.367 1.250) 10.439 2.307 ( -5.007 7.222 0.388) 8.796 2.445 ( -3.875 4.299 5.330) 7.869 2.533 ( -1.951 3.466 0.325) 3.991 2.739 ( -6.093 0.106 9.949) 11.667 2.913 ( -0.713 2.828 3.249) 4.366 3.274 ( -1.567 2.642 2.398) 3.897 3.391 ( 1.070 3.512 -1.378) 3.921 3.605 ( -3.036 2.768 -0.751) 4.177 3.928 ( 2.828 3.545 10.079) 11.052 3.998 ( 4.706 5.469 4.948) 8.749 4.093 ( -2.850 7.216 -0.082) 7.759 4.296 ( 3.166 1.241 -4.140) 5.358 4.509 ( -4.514 9.781 1.148) 10.833 4.694 ( 3.042 5.738 -5.218) 8.331 4.968 ( -3.988 2.752 4.305) 6.482 5.185 ( 0.129 0.878 -1.596) 1.826 5.334 ( 0.276 7.794 -1.152) 7.883 5.492 ( 0.795 -2.989 -2.382) 3.904 5.705 ( -1.383 2.858 -1.315) 3.436 6.211 ( 3.890 3.330 8.007) 9.505 6.496 ( 9.040 9.369 4.107) 13.652 6.585 ( 6.547 4.496 2.837) 8.433 6.817 ( 9.524 1.485 15.020) 17.847 7.066 ( -2.583 4.111 1.366) 5.043 7.542 ( -0.070 -6.762 -6.462) 9.354 7.787 ( 4.172 -3.262 5.601) 7.708 8.334 ( -6.546 -6.484 9.121) 12.965 8.808 ( -2.037 -9.624 8.258) 12.844 8.918 ( 2.331 -2.490 1.834) 3.872 9.556 ( 3.038 2.528 1.168) 4.121 9.968 ( 4.726 2.263 -0.203) 5.244 10.414 ( 9.309 -9.902 -9.598) 16.638 11.790 ( -1.247 0.510 -3.202) 3.474 11.979 ( 0.881 -2.078 -6.378) 6.765 12.297 ( -0.073 -1.148 -3.093) 3.300 12.616 ( -2.377 -6.142 -7.725) 10.151 12.907 ( -0.063 8.664 -1.216) 8.750 13.311 ( -10.235 1.778 2.250) 10.630 14.377 ( 4.016 23.984 -6.882) 25.273 16.110 ( -10.250 -19.454 -3.564) 22.276 20.097 ( -2.638 1.364 -1.945) 3.550 20.374 ( -2.610 -3.896 -0.456) 4.711 20.814 ( -0.649 -0.848 3.433) 3.595 20.980 ( -2.001 -0.956 2.143) 3.084 21.161 ( 0.008 4.553 -1.213) 4.712 21.468 ( 0.196 -2.675 -0.254) 2.694 22.258 ( 7.892 12.829 3.169) 15.392 22.923 ( 4.574 -12.432 2.856) 13.551 ======================= Grid point 249 (130/170) ======================= q-point: ( 0.00 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( -2.962 -0.385 -0.238) 2.997 1.308 ( -3.607 -8.431 -2.234) 9.439 1.742 ( -1.007 3.788 10.258) 10.982 1.866 ( 1.025 -0.253 3.124) 3.297 2.081 ( 3.885 10.701 2.706) 11.702 2.156 ( -4.616 10.501 -1.299) 11.544 2.353 ( -0.121 0.874 2.528) 2.677 2.440 ( -1.483 2.648 -1.070) 3.218 2.581 ( 0.352 -1.338 6.158) 6.311 2.734 ( -2.063 -3.791 6.965) 8.194 3.007 ( -1.265 4.325 -0.057) 4.507 3.206 ( -4.791 -3.846 -0.697) 6.183 3.509 ( 3.366 3.404 -1.949) 5.169 3.633 ( 0.693 3.062 -2.241) 3.858 3.958 ( -1.303 -1.298 1.397) 2.310 4.073 ( 0.133 -0.875 -2.718) 2.859 4.297 ( 1.219 8.034 6.943) 10.688 4.427 ( -0.816 4.557 4.940) 6.771 4.615 ( -2.314 6.969 6.620) 9.887 4.858 ( 0.054 4.507 2.224) 5.027 5.030 ( 3.317 3.917 -1.376) 5.314 5.164 ( -5.036 3.630 1.279) 6.338 5.366 ( 0.511 -1.066 -3.531) 3.724 5.454 ( 4.714 -2.261 -6.200) 8.110 5.902 ( 0.041 10.687 -0.078) 10.688 6.229 ( 3.072 -9.056 2.534) 9.893 6.712 ( 1.983 4.257 3.592) 5.913 6.851 ( 1.764 4.781 1.363) 5.275 7.110 ( 6.542 1.790 8.734) 11.058 7.259 ( 2.254 3.757 9.520) 10.480 7.340 ( -2.239 2.751 -4.487) 5.720 7.835 ( 2.042 -5.858 4.986) 7.959 8.266 ( -3.667 1.493 8.210) 9.115 8.513 ( 0.609 -14.196 1.212) 14.260 9.139 ( 6.353 3.242 2.490) 7.555 9.427 ( -3.604 -7.608 -3.263) 9.029 10.157 ( 1.994 4.426 3.664) 6.082 10.280 ( -2.590 -2.565 -2.111) 4.213 11.806 ( 0.337 5.207 -4.191) 6.693 11.967 ( 4.254 1.531 -8.903) 9.985 12.218 ( -0.199 -1.785 -5.774) 6.047 12.374 ( -2.965 -6.932 -3.879) 8.479 13.034 ( -1.046 4.801 -1.054) 5.025 13.189 ( -0.957 -2.350 0.915) 2.697 14.844 ( -0.659 23.850 -3.621) 24.132 15.670 ( -1.233 -16.093 -0.395) 16.145 20.082 ( -1.903 2.363 -0.746) 3.124 20.230 ( -1.832 -4.851 -0.580) 5.218 20.838 ( -0.712 1.213 3.221) 3.515 20.930 ( -2.352 -2.403 3.292) 4.705 21.241 ( -0.136 4.189 -1.118) 4.337 21.387 ( 1.463 -3.907 -1.701) 4.505 22.601 ( 4.240 6.843 1.895) 8.270 22.805 ( 0.671 -6.141 2.161) 6.545 ======================= Grid point 250 (131/170) ======================= q-point: ( 0.12 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 3.730 -1.981 1.533) 4.492 1.324 ( 5.409 -9.317 2.860) 11.146 1.818 ( -0.306 5.283 5.294) 7.485 1.911 ( 2.214 0.425 0.802) 2.393 2.074 ( -1.685 7.202 1.042) 7.470 2.168 ( 2.793 8.919 0.539) 9.362 2.426 ( 5.794 3.656 1.099) 6.939 2.483 ( 6.833 2.770 1.062) 7.449 2.643 ( 0.812 -1.820 4.080) 4.541 2.743 ( -2.774 -1.040 3.983) 4.964 2.994 ( -1.605 0.843 1.700) 2.485 3.144 ( -2.311 -5.270 2.806) 6.402 3.475 ( -2.848 4.427 -3.008) 6.063 3.671 ( 4.100 -0.432 -2.328) 4.735 3.981 ( 3.592 3.514 2.563) 5.641 4.112 ( 5.203 -0.777 -1.624) 5.506 4.320 ( -3.817 8.175 3.558) 9.698 4.437 ( -2.215 4.138 3.111) 5.631 4.628 ( -2.569 8.568 5.018) 10.257 4.865 ( -1.028 4.867 0.278) 4.982 5.070 ( -0.186 -4.056 -0.307) 4.072 5.138 ( 1.197 7.739 2.653) 8.268 5.320 ( -0.830 1.737 -4.850) 5.218 5.486 ( 4.425 -1.827 -4.636) 6.664 5.883 ( -1.622 9.735 -0.075) 9.870 6.250 ( -0.807 -11.500 -1.789) 11.666 6.750 ( -0.298 7.553 0.142) 7.560 6.845 ( -1.455 4.735 -0.738) 5.008 7.179 ( -2.788 2.733 -3.316) 5.122 7.252 ( -0.503 10.003 3.448) 10.592 7.399 ( 1.414 -2.157 -0.522) 2.632 7.855 ( -3.140 -5.316 1.499) 6.354 8.322 ( 2.013 -3.594 6.763) 7.919 8.568 ( 5.021 -13.648 0.787) 14.564 9.195 ( -0.654 -0.036 -3.928) 3.982 9.348 ( -2.743 -5.042 1.074) 5.839 10.121 ( -11.515 4.275 -0.215) 12.285 10.171 ( -6.005 1.494 2.261) 6.588 11.802 ( 2.366 3.684 -1.978) 4.805 11.951 ( 3.490 1.470 -7.721) 8.600 12.177 ( 1.081 -3.214 -4.645) 5.751 12.317 ( -1.494 -6.693 -0.054) 6.858 13.037 ( 2.896 6.564 0.745) 7.213 13.276 ( 7.559 -3.266 1.922) 8.455 14.796 ( -2.045 24.743 -1.177) 24.855 15.671 ( 1.022 -17.194 0.790) 17.242 20.068 ( -0.105 2.533 1.389) 2.891 20.223 ( 0.532 -5.063 1.310) 5.257 20.855 ( -0.311 0.731 2.435) 2.561 20.908 ( -3.632 -1.474 3.148) 5.027 21.238 ( 0.901 4.742 -0.660) 4.872 21.420 ( 3.874 -4.740 -1.338) 6.267 22.616 ( -2.130 6.209 -2.957) 7.200 22.783 ( -4.382 -5.007 0.417) 6.666 ======================= Grid point 251 (132/170) ======================= q-point: ( 0.25 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 4.812 0.579 2.496) 5.451 1.473 ( 6.321 -8.926 3.466) 11.473 1.809 ( -1.721 9.967 0.120) 10.115 1.963 ( 2.293 0.048 0.784) 2.424 2.091 ( 1.660 1.376 0.022) 2.157 2.240 ( 3.086 2.566 4.165) 5.784 2.482 ( -3.139 3.559 -1.873) 5.102 2.600 ( 6.339 7.287 -0.195) 9.660 2.702 ( 2.094 -1.788 0.874) 2.889 2.763 ( 4.578 0.244 1.491) 4.821 2.981 ( -0.980 -0.105 2.417) 2.610 3.169 ( -1.101 -8.093 5.757) 9.993 3.424 ( 0.293 7.080 -1.075) 7.167 3.708 ( 2.036 -2.252 -0.783) 3.135 4.089 ( 4.396 5.641 -0.683) 7.184 4.176 ( 2.555 2.393 -2.727) 4.437 4.266 ( -2.521 8.687 0.456) 9.057 4.410 ( -2.476 4.248 2.809) 5.663 4.632 ( -1.396 9.583 4.184) 10.549 4.835 ( -2.098 4.886 -1.167) 5.444 5.054 ( 0.308 -5.715 0.678) 5.763 5.182 ( 1.034 0.622 -0.024) 1.207 5.297 ( 1.969 8.136 -0.788) 8.408 5.513 ( 2.153 0.994 -1.553) 2.835 5.858 ( 0.307 5.258 -2.352) 5.769 6.203 ( -1.267 -10.613 -2.887) 11.071 6.674 ( -5.953 11.991 -2.454) 13.610 6.832 ( 0.607 1.437 -3.403) 3.744 7.029 ( -6.816 3.810 -10.648) 13.204 7.212 ( -7.211 2.434 -2.498) 8.010 7.351 ( -2.450 6.175 -2.020) 6.944 7.790 ( -3.138 -5.664 -2.524) 6.950 8.429 ( 3.998 -7.755 4.312) 9.732 8.680 ( 6.097 -16.087 -0.038) 17.204 9.089 ( -4.040 2.951 -6.090) 7.881 9.319 ( -4.909 -6.584 3.581) 8.960 9.885 ( -13.359 7.525 -0.246) 15.335 10.059 ( -9.484 0.426 2.386) 9.788 11.837 ( 4.198 3.443 -3.204) 6.304 11.974 ( 5.144 0.395 -2.954) 5.945 12.158 ( 0.703 -3.395 -3.175) 4.701 12.333 ( 2.147 -7.017 2.499) 7.752 13.140 ( 6.490 8.759 2.265) 11.134 13.432 ( 7.061 -3.275 3.302) 8.455 14.761 ( -1.623 25.366 0.608) 25.425 15.715 ( 2.270 -20.589 2.326) 20.844 20.103 ( 1.462 3.019 3.447) 4.810 20.267 ( 1.948 -4.660 3.249) 6.006 20.853 ( -3.286 0.366 1.830) 3.779 20.884 ( -1.339 -1.217 2.817) 3.348 21.263 ( 2.584 5.591 -0.332) 6.168 21.485 ( 4.473 -5.279 -0.676) 6.952 22.489 ( -6.398 5.928 -7.052) 11.216 22.670 ( -7.660 -5.038 -2.376) 9.471 ======================= Grid point 252 (133/170) ======================= q-point: ( 0.38 0.38 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 2.035 2.834 1.084) 3.654 1.564 ( 1.793 -6.668 0.501) 6.923 1.792 ( -0.694 8.817 0.175) 8.846 1.982 ( -1.494 3.414 1.805) 4.141 2.119 ( 2.481 -2.585 -2.282) 4.248 2.282 ( -5.198 -6.221 2.069) 8.367 2.379 ( -1.660 8.441 -1.301) 8.701 2.617 ( -2.909 2.295 -3.883) 5.367 2.717 ( -0.009 3.142 2.629) 4.097 2.905 ( 9.391 -1.765 -2.182) 9.801 3.010 ( 0.289 -1.561 3.439) 3.788 3.184 ( -1.582 -8.522 2.387) 8.990 3.464 ( 3.758 9.807 -0.339) 10.508 3.697 ( -2.929 -0.016 -1.394) 3.244 4.023 ( -8.131 6.121 -5.549) 11.592 4.129 ( 1.353 -0.645 -2.362) 2.797 4.304 ( 2.106 9.499 1.966) 9.926 4.470 ( 5.579 6.631 0.633) 8.689 4.649 ( -3.161 10.589 5.981) 12.566 4.785 ( -1.435 6.432 -0.222) 6.594 5.098 ( 0.612 -4.355 1.397) 4.614 5.201 ( 4.762 -1.211 -2.599) 5.559 5.345 ( 2.076 11.251 2.409) 11.692 5.551 ( 2.200 2.623 3.314) 4.765 5.859 ( 3.235 0.916 -4.563) 5.668 6.159 ( -2.009 -7.781 -1.792) 8.233 6.549 ( -4.065 10.723 -4.584) 12.350 6.720 ( -7.312 -1.198 -12.033) 14.131 6.829 ( -3.385 6.601 -7.796) 10.761 7.023 ( -6.208 0.186 -7.082) 9.420 7.305 ( -5.063 5.784 5.481) 9.440 7.706 ( -3.455 -7.621 -4.159) 9.344 8.499 ( 1.060 -4.957 -5.162) 7.235 8.690 ( -2.801 -12.194 -0.708) 12.531 9.046 ( 3.380 -1.543 0.350) 3.732 9.233 ( -8.131 -9.843 2.875) 13.087 9.722 ( -4.929 8.653 1.113) 10.021 9.919 ( -8.297 -0.123 1.291) 8.398 11.885 ( 5.099 3.891 -3.726) 7.417 12.047 ( 5.714 -2.726 -4.042) 7.511 12.152 ( 0.546 -0.004 0.854) 1.014 12.421 ( 4.757 -8.238 2.791) 9.914 13.262 ( 4.440 9.963 2.541) 11.199 13.558 ( 3.554 -2.244 3.640) 5.560 14.754 ( -0.178 25.702 1.039) 25.723 15.784 ( 2.454 -24.537 3.421) 24.896 20.171 ( 1.973 3.509 4.472) 6.017 20.338 ( 1.891 -3.761 4.459) 6.132 20.803 ( -4.158 0.995 2.283) 4.847 20.892 ( -0.489 -2.476 1.753) 3.073 21.317 ( 3.753 6.038 -0.062) 7.110 21.542 ( 2.365 -3.906 -1.040) 4.683 22.316 ( -4.622 4.521 -7.372) 9.805 22.493 ( -8.455 -5.556 -5.040) 11.303 ======================= Grid point 253 (134/170) ======================= q-point: (-0.50 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( -0.661 3.193 -0.651) 3.325 1.529 ( -3.314 -4.454 -3.449) 6.536 1.788 ( -1.508 10.525 2.501) 10.923 1.967 ( -2.894 4.625 4.251) 6.917 2.116 ( -0.772 -1.968 -0.708) 2.229 2.167 ( -6.453 -0.839 -0.070) 6.507 2.378 ( 0.646 -0.055 -1.695) 1.815 2.526 ( -5.047 -2.886 1.502) 6.005 2.737 ( 0.758 3.148 0.315) 3.253 2.930 ( -4.783 -2.904 -0.021) 5.595 3.064 ( 3.100 -2.169 -2.294) 4.425 3.176 ( 2.641 -4.290 -2.747) 5.738 3.504 ( 1.852 6.028 -1.061) 6.395 3.612 ( -4.502 0.518 -1.327) 4.722 3.869 ( -5.330 9.793 0.907) 11.186 4.172 ( 1.506 -1.726 2.685) 3.529 4.320 ( -0.809 8.115 -0.891) 8.204 4.514 ( 0.605 5.305 -4.828) 7.198 4.647 ( -4.325 8.076 9.543) 13.228 4.793 ( 3.216 7.886 -1.746) 8.694 5.066 ( -4.700 2.154 2.332) 5.671 5.278 ( 5.791 1.694 -5.983) 8.497 5.415 ( 3.934 10.781 1.955) 11.642 5.641 ( 3.076 2.586 4.219) 5.826 5.861 ( 1.449 1.246 -5.041) 5.391 6.091 ( -4.867 -1.997 1.622) 5.505 6.456 ( -3.330 5.690 -5.505) 8.588 6.505 ( -3.213 2.194 -7.948) 8.849 6.721 ( -2.679 6.062 -4.363) 7.935 6.931 ( -0.277 -3.848 -2.461) 4.576 7.324 ( 1.261 0.538 9.901) 9.995 7.587 ( -5.158 -7.901 -4.944) 10.652 8.316 ( -8.172 -0.679 -11.746) 14.325 8.703 ( -3.040 -9.746 6.836) 12.286 9.045 ( -6.650 -4.246 3.992) 8.843 9.231 ( 9.596 -10.602 -2.546) 14.525 9.717 ( -1.691 5.847 2.660) 6.642 9.833 ( 0.544 -0.059 0.050) 0.549 11.932 ( 4.399 3.254 -4.535) 7.106 12.064 ( 2.360 -3.844 -6.246) 7.704 12.206 ( 3.266 2.560 2.011) 4.612 12.522 ( 4.726 -8.976 0.461) 10.155 13.319 ( -0.438 10.710 1.983) 10.901 13.613 ( -0.811 -1.496 3.047) 3.490 14.773 ( 1.655 25.870 0.257) 25.925 15.847 ( 1.270 -27.296 2.698) 27.458 20.236 ( 0.827 3.852 3.668) 5.382 20.401 ( 0.614 -2.758 4.061) 4.947 20.764 ( -3.036 1.291 2.994) 4.455 20.897 ( -0.508 -3.894 1.315) 4.141 21.379 ( 2.977 4.966 -0.158) 5.792 21.525 ( -2.084 0.994 -2.679) 3.537 22.241 ( 1.415 1.683 -3.187) 3.871 22.324 ( -3.916 -6.489 -5.469) 9.346 ======================= Grid point 254 (135/170) ======================= q-point: (-0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( -2.607 3.614 0.824) 4.532 1.480 ( -0.030 -3.359 1.557) 3.703 1.757 ( -4.775 12.416 2.377) 13.513 1.944 ( -5.364 3.598 4.160) 7.682 2.052 ( -4.790 0.252 -0.408) 4.814 2.155 ( 1.066 3.522 6.768) 7.704 2.365 ( -1.189 -1.679 0.118) 2.060 2.487 ( -1.923 -5.775 3.869) 7.212 2.714 ( -4.862 -0.959 0.332) 4.967 2.826 ( -6.314 -4.340 -0.162) 7.663 3.071 ( 1.631 4.255 -0.880) 4.641 3.222 ( 4.616 -1.991 -2.750) 5.730 3.523 ( -0.176 2.098 -2.549) 3.306 3.554 ( -0.427 0.842 3.557) 3.680 3.840 ( -2.871 11.207 6.287) 13.167 4.185 ( -1.244 -2.299 -1.707) 3.122 4.253 ( -4.543 7.058 -2.291) 8.701 4.459 ( -2.760 5.263 -0.444) 5.959 4.661 ( -3.457 3.648 7.340) 8.895 4.866 ( 5.966 5.964 -1.059) 8.502 4.997 ( -4.732 5.871 0.824) 7.586 5.293 ( 2.933 7.719 -4.515) 9.411 5.467 ( 2.024 5.831 -2.879) 6.810 5.692 ( -0.789 1.012 -1.118) 1.702 5.792 ( -2.911 4.678 -4.401) 7.052 6.067 ( -2.785 -2.328 6.576) 7.512 6.375 ( -2.726 2.100 2.577) 4.299 6.437 ( 0.756 2.202 -3.398) 4.119 6.701 ( 2.793 10.127 -0.600) 10.522 6.924 ( 0.961 -4.478 -0.193) 4.584 7.479 ( 1.149 -3.460 1.468) 3.930 7.546 ( 7.789 -6.918 6.517) 12.288 8.116 ( -6.430 2.559 -0.942) 6.984 8.627 ( -12.250 -14.784 7.951) 20.781 9.026 ( 2.025 2.512 -2.606) 4.147 9.395 ( 9.657 -14.183 -0.920) 17.183 9.681 ( -1.416 8.771 3.037) 9.389 9.955 ( 10.679 -3.070 -0.668) 11.132 11.944 ( 2.635 2.460 -5.961) 6.967 12.034 ( 1.303 -2.261 -6.492) 6.997 12.270 ( 3.361 2.416 -1.093) 4.281 12.575 ( 2.969 -8.832 -3.659) 10.010 13.283 ( -5.240 11.036 1.185) 12.274 13.583 ( -5.552 -1.801 2.229) 6.248 14.811 ( 3.360 25.594 -1.446) 25.855 15.863 ( -1.233 -27.272 0.277) 27.302 20.252 ( -1.592 3.918 1.016) 4.350 20.421 ( -1.602 -2.540 1.568) 3.387 20.761 ( -1.229 1.184 4.229) 4.560 20.903 ( -0.424 -4.570 1.829) 4.940 21.372 ( -2.238 3.766 -3.282) 5.474 21.477 ( -1.217 2.476 0.081) 2.760 22.219 ( 1.346 2.541 -2.365) 3.723 22.364 ( 8.545 -7.542 0.625) 11.414 ======================= Grid point 255 (136/170) ======================= q-point: (-0.25 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( -1.952 3.725 2.323) 4.805 1.506 ( -1.956 -4.543 2.109) 5.377 1.698 ( -4.698 9.689 5.018) 11.879 1.871 ( -6.007 4.202 3.147) 7.977 1.999 ( -3.259 3.828 3.648) 6.212 2.236 ( -1.342 7.130 8.250) 10.986 2.365 ( -0.325 -2.694 4.498) 5.254 2.504 ( -2.369 -8.096 1.321) 8.539 2.604 ( -7.014 2.394 4.054) 8.448 2.739 ( -3.853 -3.544 0.784) 5.293 3.075 ( -1.861 8.031 0.570) 8.264 3.279 ( 3.020 -1.933 -0.912) 3.700 3.473 ( -0.770 4.526 -3.447) 5.741 3.622 ( 1.195 -0.778 5.113) 5.308 3.891 ( 1.630 8.263 8.130) 11.706 4.102 ( -2.785 3.888 -4.169) 6.344 4.207 ( -0.032 0.942 0.882) 1.291 4.399 ( -5.103 4.467 1.765) 7.008 4.648 ( -5.409 1.565 6.004) 8.231 4.893 ( -1.107 6.446 -3.185) 7.275 4.985 ( 3.263 3.175 -0.391) 4.570 5.306 ( 1.632 9.571 -2.568) 10.043 5.431 ( -0.789 -0.550 -7.079) 7.144 5.566 ( -7.329 2.106 -3.527) 8.402 5.780 ( 3.139 5.480 -0.238) 6.320 6.083 ( -1.870 -6.084 5.949) 8.712 6.422 ( 2.706 2.889 8.845) 9.690 6.524 ( 6.106 1.162 9.735) 11.550 6.769 ( 5.131 11.023 -0.639) 12.175 6.973 ( 3.231 -3.293 3.042) 5.526 7.544 ( 4.654 0.036 -0.865) 4.734 7.659 ( 0.257 -4.869 0.085) 4.877 8.155 ( 1.932 0.075 14.776) 14.902 8.505 ( -9.429 -13.666 8.794) 18.789 9.005 ( 0.002 4.938 -4.809) 6.893 9.487 ( 2.837 -12.566 -1.520) 12.972 9.803 ( 10.036 7.390 4.880) 13.385 10.132 ( 11.046 -5.164 -2.500) 12.447 11.915 ( 1.003 3.072 -6.984) 7.695 11.997 ( 1.963 -0.724 -7.370) 7.662 12.293 ( 2.091 1.384 -4.025) 4.742 12.555 ( 0.616 -8.213 -7.189) 10.932 13.178 ( -7.169 10.260 0.259) 12.519 13.467 ( -9.722 -2.623 1.522) 10.184 14.854 ( 3.956 24.592 -3.497) 25.153 15.810 ( -3.820 -23.771 -1.763) 24.140 20.208 ( -3.056 3.438 -1.289) 4.777 20.374 ( -3.752 -3.286 -1.158) 5.120 20.790 ( -0.526 1.186 4.657) 4.834 20.917 ( -0.503 -4.142 2.735) 4.989 21.301 ( -1.838 4.748 -2.999) 5.910 21.448 ( -2.648 -1.720 0.117) 3.160 22.295 ( 7.450 6.143 1.398) 9.756 22.545 ( 9.534 -8.180 3.275) 12.982 ======================= Grid point 256 (137/170) ======================= q-point: (-0.12 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( -5.665 2.352 -1.351) 6.281 1.423 ( -6.262 -4.537 -1.537) 7.884 1.698 ( -4.397 3.306 9.968) 11.385 1.832 ( -1.466 3.106 3.578) 4.960 2.006 ( 0.227 7.566 3.979) 8.552 2.238 ( -4.841 9.278 3.603) 11.068 2.384 ( -4.744 -2.797 2.530) 6.060 2.449 ( -1.410 -0.792 5.337) 5.577 2.570 ( -2.962 1.920 1.404) 3.800 2.712 ( -2.270 -3.535 4.819) 6.393 3.036 ( -2.075 7.701 -0.219) 7.978 3.279 ( -2.576 -2.907 0.158) 3.887 3.460 ( 3.193 4.686 -3.378) 6.600 3.654 ( -0.469 -0.307 0.331) 0.651 3.963 ( -1.181 2.639 2.381) 3.745 4.108 ( 1.916 3.163 3.309) 4.962 4.206 ( -1.019 5.220 2.000) 5.682 4.375 ( 0.271 2.476 4.830) 5.435 4.610 ( -4.900 3.978 6.854) 9.317 4.854 ( -0.506 4.113 -1.271) 4.335 5.011 ( 1.732 4.255 -2.845) 5.404 5.258 ( -5.459 6.347 -0.866) 8.417 5.372 ( 2.175 -3.265 -5.119) 6.449 5.462 ( -0.540 0.073 -4.297) 4.331 5.861 ( 4.569 8.780 0.474) 9.909 6.135 ( 2.111 -6.694 5.438) 8.879 6.593 ( 4.470 3.806 10.830) 12.319 6.756 ( 7.265 3.040 6.576) 10.260 6.877 ( 6.790 5.642 8.080) 11.968 7.090 ( 4.584 -2.900 8.030) 9.690 7.486 ( -4.484 3.773 -7.893) 9.830 7.728 ( 4.076 -3.107 5.117) 7.243 8.265 ( -4.650 -0.753 10.988) 11.956 8.494 ( -2.046 -14.535 7.141) 16.323 9.010 ( 4.794 7.565 0.229) 8.959 9.490 ( -0.502 -10.241 -2.323) 10.513 10.023 ( 9.238 5.007 4.052) 11.261 10.263 ( 6.579 -5.411 -2.761) 8.955 11.858 ( -0.057 4.886 -6.716) 8.306 11.973 ( 3.619 0.731 -8.079) 8.882 12.271 ( 0.572 -0.315 -5.637) 5.674 12.474 ( -1.975 -7.514 -7.355) 10.699 13.074 ( -3.739 7.472 -0.939) 8.408 13.298 ( -10.457 -2.774 0.947) 10.860 14.871 ( 2.242 23.626 -4.684) 24.190 15.723 ( -3.811 -18.725 -1.605) 19.176 20.139 ( -3.015 2.721 -1.863) 4.468 20.291 ( -3.794 -4.159 -1.719) 5.886 20.818 ( -0.818 1.256 4.041) 4.310 20.930 ( -1.184 -3.310 3.163) 4.729 21.260 ( -0.493 4.409 -1.960) 4.850 21.403 ( -1.672 -3.344 -0.980) 3.865 22.461 ( 8.234 7.391 3.530) 11.614 22.718 ( 6.320 -7.647 3.499) 10.520 ======================= Grid point 257 (138/170) ======================= q-point: ( 0.00 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( -4.653 -6.446 -1.804) 8.152 1.141 ( -4.653 6.446 -1.804) 8.152 1.823 ( -0.253 -3.477 6.521) 7.394 1.823 ( -0.253 3.477 6.521) 7.394 2.242 ( 1.489 -3.705 -1.411) 4.235 2.242 ( 1.489 3.705 -1.411) 4.235 2.409 ( -0.735 -5.173 3.407) 6.238 2.409 ( -0.735 5.173 3.407) 6.238 2.625 ( -1.832 -5.571 6.646) 8.863 2.625 ( -1.832 5.571 6.646) 8.863 3.105 ( -3.092 -5.241 -3.076) 6.818 3.105 ( -3.092 5.241 -3.076) 6.818 3.596 ( 2.265 -4.520 -2.543) 5.660 3.596 ( 2.265 4.520 -2.543) 5.660 4.015 ( -1.005 -4.584 0.237) 4.699 4.015 ( -1.005 4.584 0.237) 4.699 4.424 ( 0.123 -3.777 6.300) 7.346 4.424 ( 0.123 3.777 6.300) 7.346 4.785 ( -1.606 -8.318 7.170) 11.099 4.785 ( -1.606 8.318 7.170) 11.099 5.179 ( 0.277 -6.732 -3.729) 7.701 5.179 ( 0.277 6.732 -3.729) 7.701 5.377 ( 2.461 -4.755 -3.625) 6.466 5.377 ( 2.461 4.755 -3.625) 6.466 6.066 ( 1.365 -6.918 -0.626) 7.079 6.066 ( 1.365 6.918 -0.626) 7.079 6.832 ( 1.437 -5.742 4.438) 7.398 6.832 ( 1.437 5.742 4.438) 7.398 7.153 ( 5.454 -3.946 7.105) 9.788 7.153 ( 5.454 3.946 7.105) 9.788 7.634 ( -0.684 -14.226 2.369) 14.438 7.634 ( -0.684 14.226 2.369) 14.438 8.321 ( -1.692 -4.962 5.317) 7.468 8.321 ( -1.692 4.962 5.317) 7.468 9.253 ( 1.163 -7.930 -1.022) 8.080 9.253 ( 1.163 7.930 -1.022) 8.080 10.231 ( -0.049 -2.850 2.263) 3.640 10.231 ( -0.049 2.850 2.263) 3.640 11.930 ( 3.362 -5.387 -9.088) 11.086 11.930 ( 3.362 5.387 -9.088) 11.086 12.247 ( -2.398 -4.810 -3.649) 6.496 12.247 ( -2.398 4.810 -3.649) 6.496 13.121 ( -1.055 -3.951 -0.451) 4.114 13.121 ( -1.055 3.951 -0.451) 4.114 15.300 ( -0.819 -20.308 -1.417) 20.374 15.300 ( -0.819 20.308 -1.417) 20.374 20.143 ( -1.997 -3.618 -0.737) 4.198 20.143 ( -1.997 3.618 -0.737) 4.198 20.877 ( -1.267 -2.510 3.209) 4.266 20.877 ( -1.267 2.510 3.209) 4.266 21.316 ( 0.426 -3.275 -1.265) 3.536 21.316 ( 0.426 3.275 -1.265) 3.536 22.706 ( 2.718 -4.231 1.953) 5.395 22.706 ( 2.718 4.231 1.953) 5.395 ======================= Grid point 259 (139/170) ======================= q-point: ( 0.12 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 4.534 -6.471 2.794) 8.381 1.147 ( 4.534 6.471 2.794) 8.381 1.890 ( 1.946 -2.224 3.749) 4.773 1.890 ( 1.946 2.224 3.749) 4.773 2.214 ( -1.767 -4.392 -1.859) 5.087 2.214 ( -1.767 4.392 -1.859) 5.087 2.495 ( 7.281 -3.334 1.272) 8.109 2.495 ( 7.281 3.334 1.272) 8.109 2.672 ( -0.828 -4.875 7.399) 8.899 2.672 ( -0.828 4.875 7.399) 8.899 3.039 ( -1.946 -3.933 -0.974) 4.495 3.039 ( -1.946 3.933 -0.974) 4.495 3.585 ( -0.158 -5.815 -2.506) 6.334 3.585 ( -0.158 5.815 -2.506) 6.334 4.074 ( 6.457 -3.755 1.167) 7.560 4.074 ( 6.457 3.755 1.167) 7.560 4.438 ( -3.380 -3.226 3.478) 5.825 4.438 ( -3.380 3.226 3.478) 5.825 4.802 ( -3.209 -8.005 5.868) 10.431 4.802 ( -3.209 8.005 5.868) 10.431 5.145 ( -0.057 -6.895 -5.242) 8.661 5.145 ( -0.057 6.895 -5.242) 8.661 5.411 ( 4.108 -5.999 -1.794) 7.489 5.411 ( 4.108 5.999 -1.794) 7.489 6.046 ( -1.766 -7.969 -1.784) 8.355 6.046 ( -1.766 7.969 -1.784) 8.355 6.857 ( -1.329 -3.077 0.868) 3.463 6.857 ( -1.329 3.077 0.868) 3.463 7.235 ( 0.998 -4.014 -2.248) 4.707 7.235 ( 0.998 4.014 -2.248) 4.707 7.648 ( -1.378 -15.537 2.710) 15.832 7.648 ( -1.378 15.537 2.710) 15.832 8.347 ( 0.277 -7.445 3.799) 8.363 8.347 ( 0.277 7.445 3.799) 8.363 9.242 ( -1.059 -4.476 -1.360) 4.796 9.242 ( -1.059 4.476 -1.360) 4.796 10.178 ( -8.197 -1.222 1.755) 8.471 10.178 ( -8.197 1.222 1.755) 8.471 11.910 ( 3.651 -5.424 -7.431) 9.898 11.910 ( 3.651 5.424 -7.431) 9.898 12.193 ( -1.281 -4.679 -0.905) 4.935 12.193 ( -1.281 4.679 -0.905) 4.935 13.171 ( 5.876 -6.344 1.308) 8.746 13.171 ( 5.876 6.344 1.308) 8.746 15.276 ( -1.098 -21.608 -0.074) 21.636 15.276 ( -1.098 21.608 -0.074) 21.636 20.132 ( 0.340 -3.800 1.439) 4.078 20.132 ( 0.340 3.800 1.439) 4.078 20.878 ( -1.850 -1.406 2.666) 3.537 20.878 ( -1.850 1.406 2.666) 3.537 21.329 ( 2.237 -4.277 -0.852) 4.902 21.329 ( 2.237 4.277 -0.852) 4.902 22.706 ( -3.040 -3.264 -1.524) 4.714 22.706 ( -3.040 3.264 -1.524) 4.714 ======================= Grid point 261 (140/170) ======================= q-point: ( 0.25 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 6.346 -7.627 4.017) 10.704 1.288 ( 6.346 7.627 4.017) 10.704 1.941 ( 1.499 -2.962 0.580) 3.370 1.941 ( 1.499 2.962 0.580) 3.370 2.179 ( -1.525 -6.136 0.125) 6.324 2.179 ( -1.525 6.136 0.125) 6.324 2.596 ( 1.332 -6.096 -0.480) 6.258 2.596 ( 1.332 6.096 -0.480) 6.258 2.741 ( 4.826 -3.872 2.267) 6.589 2.741 ( 4.826 3.872 2.267) 6.589 3.020 ( -1.505 -4.998 2.630) 5.845 3.020 ( -1.505 4.998 2.631) 5.845 3.589 ( 2.528 -8.009 0.244) 8.402 3.589 ( 2.528 8.009 0.244) 8.402 4.182 ( 2.834 -2.835 -2.379) 4.661 4.182 ( 2.834 2.835 -2.379) 4.661 4.401 ( -1.559 -4.160 2.718) 5.208 4.401 ( -1.559 4.160 2.718) 5.208 4.812 ( -0.144 -8.059 4.178) 9.079 4.812 ( -0.144 8.059 4.178) 9.079 5.084 ( -0.702 -8.203 -5.175) 9.725 5.084 ( -0.702 8.203 -5.175) 9.725 5.471 ( 3.065 -5.827 0.969) 6.655 5.471 ( 3.065 5.827 0.969) 6.655 5.996 ( -1.151 -8.798 -2.614) 9.250 5.996 ( -1.151 8.798 -2.614) 9.250 6.797 ( -4.695 -3.346 -2.770) 6.396 6.797 ( -4.695 3.346 -2.770) 6.396 7.158 ( -3.575 -6.233 -9.013) 11.527 7.158 ( -3.575 6.233 -9.013) 11.527 7.607 ( -4.448 -13.382 -0.403) 14.107 7.607 ( -4.448 13.382 -0.403) 14.107 8.413 ( 3.562 -7.760 3.318) 9.161 8.413 ( 3.562 7.760 3.318) 9.161 9.185 ( -4.235 -6.083 -1.837) 7.636 9.185 ( -4.235 6.083 -1.837) 7.636 10.015 ( -11.007 -4.612 1.089) 11.984 10.015 ( -11.007 4.612 1.089) 11.984 11.927 ( 4.967 -4.790 -5.412) 8.769 11.927 ( 4.967 4.790 -5.412) 8.769 12.193 ( 1.146 -5.887 1.299) 6.137 12.193 ( 1.146 5.887 1.299) 6.137 13.312 ( 7.283 -7.721 3.174) 11.079 13.312 ( 7.283 7.721 3.174) 11.079 15.265 ( -0.558 -23.455 1.103) 23.487 15.265 ( -0.558 23.455 1.103) 23.487 20.177 ( 1.941 -4.124 3.648) 5.838 20.177 ( 1.941 4.124 3.648) 5.838 20.863 ( -2.394 -0.741 2.235) 3.358 20.863 ( -2.394 0.741 2.235) 3.358 21.374 ( 3.626 -5.403 -0.401) 6.520 21.374 ( 3.626 5.403 -0.401) 6.520 22.585 ( -6.976 -3.935 -5.190) 9.544 22.585 ( -6.976 3.935 -5.190) 9.544 ======================= Grid point 263 (141/170) ======================= q-point: ( 0.38 -0.50 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 2.665 -8.017 1.323) 8.551 1.394 ( 2.665 8.017 1.323) 8.551 1.960 ( 0.866 -6.144 0.198) 6.208 1.960 ( 0.866 6.144 0.198) 6.208 2.147 ( -3.036 -5.770 0.690) 6.557 2.147 ( -3.036 5.770 0.690) 6.557 2.540 ( -4.644 -6.828 -2.574) 8.649 2.540 ( -4.644 6.828 -2.574) 8.649 2.841 ( 4.560 -5.334 -1.304) 7.138 2.841 ( 4.560 5.334 -1.304) 7.138 3.033 ( -0.014 -4.806 3.446) 5.914 3.033 ( -0.014 4.806 3.446) 5.914 3.638 ( 1.143 -6.134 -0.705) 6.279 3.638 ( 1.143 6.134 -0.705) 6.279 4.098 ( -4.020 -2.082 -4.211) 6.183 4.098 ( -4.020 2.082 -4.211) 6.183 4.466 ( 2.280 -5.391 3.537) 6.839 4.466 ( 2.280 5.391 3.537) 6.839 4.850 ( -0.057 -7.808 0.177) 7.810 4.850 ( -0.057 7.808 0.177) 7.810 5.078 ( 4.181 -7.629 0.219) 8.702 5.078 ( 4.181 7.629 0.219) 8.702 5.533 ( 2.776 -5.233 2.587) 6.464 5.533 ( 2.776 5.233 2.587) 6.464 5.973 ( 0.954 -9.235 -2.046) 9.506 5.973 ( 0.954 9.235 -2.046) 9.506 6.655 ( -6.349 -3.644 -6.315) 9.668 6.655 ( -6.349 3.644 -6.315) 9.668 6.981 ( -5.450 -5.164 -9.748) 12.304 6.981 ( -5.450 5.164 -9.748) 12.304 7.514 ( -5.682 -11.551 -0.290) 12.876 7.514 ( -5.682 11.551 -0.290) 12.876 8.491 ( 1.601 -5.428 0.594) 5.691 8.491 ( 1.601 5.429 0.594) 5.691 9.082 ( -4.108 -4.649 -1.955) 6.505 9.082 ( -4.108 4.649 -1.955) 6.505 9.866 ( -7.243 -5.035 1.815) 9.006 9.866 ( -7.243 5.035 1.815) 9.006 11.966 ( 5.077 -4.314 -5.448) 8.606 11.966 ( 5.077 4.314 -5.448) 8.606 12.252 ( 3.221 -7.800 2.726) 8.868 12.252 ( 3.221 7.800 2.726) 8.868 13.448 ( 4.289 -7.769 3.706) 9.617 13.448 ( 4.289 7.769 3.706) 9.617 15.277 ( 0.463 -25.191 1.572) 25.244 15.277 ( 0.463 25.191 1.572) 25.244 20.254 ( 2.154 -4.327 4.909) 6.889 20.254 ( 2.154 4.327 4.909) 6.889 20.839 ( -2.631 -2.425 2.039) 4.118 20.839 ( -2.631 2.425 2.039) 4.118 21.436 ( 3.685 -5.793 -0.238) 6.870 21.436 ( 3.685 5.793 -0.238) 6.870 22.401 ( -6.895 -4.154 -7.085) 10.724 22.401 ( -6.895 4.154 -7.085) 10.724 ======================= Grid point 265 (142/170) ======================= q-point: (-0.50 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( -1.180 -6.911 -1.508) 7.171 1.401 ( -1.180 6.911 -1.508) 7.171 1.984 ( 0.279 -6.952 2.149) 7.282 1.984 ( 0.279 6.952 2.149) 7.282 2.094 ( -2.856 -3.691 0.533) 4.697 2.094 ( -2.856 3.691 0.533) 4.697 2.434 ( -4.899 -4.638 -1.091) 6.834 2.434 ( -4.899 4.638 -1.091) 6.834 2.836 ( -3.794 -5.578 -0.736) 6.786 2.836 ( -3.794 5.578 -0.736) 6.786 3.090 ( 4.834 -3.673 -0.897) 6.137 3.090 ( 4.834 3.673 -0.897) 6.137 3.590 ( -2.505 -2.603 -3.482) 5.017 3.590 ( -2.505 2.603 -3.482) 5.017 4.063 ( -1.084 -8.186 3.691) 9.045 4.063 ( -1.084 8.186 3.691) 9.045 4.480 ( -2.108 -6.171 -0.881) 6.580 4.480 ( -2.108 6.171 -0.881) 6.580 4.819 ( -3.045 -6.343 2.184) 7.367 4.819 ( -3.045 6.343 2.184) 7.367 5.173 ( 5.884 -8.389 -2.563) 10.563 5.173 ( 5.884 8.389 -2.563) 10.563 5.615 ( 3.759 -5.879 1.040) 7.055 5.615 ( 3.759 5.879 1.040) 7.055 5.978 ( -0.640 -8.098 1.293) 8.226 5.978 ( -0.640 8.098 1.293) 8.226 6.500 ( -4.760 -1.577 -5.167) 7.200 6.500 ( -4.760 1.577 -5.167) 7.200 6.848 ( -1.655 -4.568 -4.482) 6.610 6.848 ( -1.655 4.568 -4.482) 6.610 7.429 ( -3.034 -7.521 0.409) 8.120 7.429 ( -3.034 7.521 0.409) 8.120 8.437 ( -7.400 -12.242 -0.047) 14.305 8.437 ( -7.400 12.242 -0.047) 14.305 9.069 ( 4.399 -5.128 -1.694) 6.965 9.069 ( 4.399 5.128 -1.694) 6.965 9.809 ( -1.820 -2.775 2.553) 4.187 9.809 ( -1.820 2.775 2.553) 4.187 11.991 ( 3.839 -3.127 -6.059) 7.825 11.991 ( 3.839 3.127 -6.059) 7.825 12.336 ( 4.021 -8.705 1.147) 9.658 12.336 ( 4.021 8.705 1.147) 9.658 13.512 ( -0.640 -7.695 3.072) 8.310 13.512 ( -0.640 7.695 3.072) 8.310 15.305 ( 1.274 -26.079 0.927) 26.127 15.305 ( 1.274 26.079 0.927) 26.127 20.325 ( 0.802 -4.428 4.285) 6.214 20.325 ( 0.802 4.428 4.285) 6.214 20.816 ( -2.235 -3.631 2.309) 4.849 20.816 ( -2.235 3.631 2.309) 4.849 21.478 ( 1.104 -4.563 -0.762) 4.757 21.478 ( 1.104 4.563 -0.762) 4.757 22.262 ( -1.538 -1.923 -5.604) 6.121 22.262 ( -1.538 1.923 -5.604) 6.121 ======================= Grid point 267 (143/170) ======================= q-point: (-0.38 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( -1.438 -6.630 0.649) 6.815 1.365 ( -1.438 6.630 0.649) 6.815 1.962 ( -4.989 -3.987 1.491) 6.558 1.962 ( -4.989 3.987 1.491) 6.558 2.106 ( 2.234 -6.314 2.350) 7.098 2.106 ( 2.234 6.314 2.350) 7.098 2.373 ( -3.178 -3.334 3.383) 5.715 2.373 ( -3.178 3.334 3.383) 5.715 2.740 ( -6.503 -3.324 1.246) 7.409 2.740 ( -6.503 3.324 1.246) 7.409 3.162 ( 5.157 -3.902 -2.476) 6.925 3.162 ( 5.157 3.902 -2.476) 6.925 3.548 ( -0.342 -0.850 0.320) 0.971 3.548 ( -0.342 0.850 0.320) 0.971 4.064 ( -3.243 -9.251 3.782) 10.507 4.064 ( -3.243 9.251 3.782) 10.507 4.406 ( -3.956 -6.882 -2.116) 8.215 4.406 ( -3.956 6.882 -2.116) 8.215 4.804 ( -3.245 -7.398 5.385) 9.709 4.804 ( -3.245 7.398 5.385) 9.709 5.218 ( 4.467 -10.687 -6.130) 13.105 5.218 ( 4.467 10.687 -6.130) 13.105 5.641 ( -0.294 -6.527 -2.741) 7.085 5.641 ( -0.294 6.527 -2.741) 7.085 5.949 ( -3.958 -8.633 1.297) 9.585 5.949 ( -3.958 8.633 1.297) 9.585 6.419 ( -2.153 -2.217 1.679) 3.518 6.419 ( -2.153 2.217 1.679) 3.518 6.843 ( 3.131 -3.996 -0.714) 5.126 6.843 ( 3.131 3.996 -0.714) 5.127 7.460 ( 4.408 -1.662 3.524) 5.883 7.460 ( 4.408 1.662 3.524) 5.883 8.307 ( -8.820 -14.834 5.133) 18.005 8.307 ( -8.820 14.834 5.133) 18.005 9.144 ( 5.814 -9.104 -3.693) 11.416 9.144 ( 5.814 9.104 -3.693) 11.416 9.855 ( 4.368 -6.958 2.801) 8.679 9.855 ( 4.368 6.958 2.801) 8.679 11.987 ( 2.782 -2.227 -6.784) 7.663 11.987 ( 2.782 2.227 -6.784) 7.663 12.393 ( 3.154 -8.402 -2.600) 9.344 12.393 ( 3.154 8.402 -2.600) 9.344 13.480 ( -5.734 -7.759 1.943) 9.842 13.480 ( -5.734 7.759 1.943) 9.842 15.331 ( 1.415 -25.345 -0.606) 25.392 15.331 ( 1.415 25.345 -0.606) 25.392 20.344 ( -1.881 -4.612 1.432) 5.183 20.344 ( -1.881 4.612 1.432) 5.183 20.813 ( -1.067 -3.790 3.430) 5.221 20.813 ( -1.067 3.790 3.430) 5.221 21.452 ( -2.412 -3.657 -1.708) 4.702 21.452 ( -2.412 3.657 -1.708) 4.702 22.269 ( 5.926 -3.268 -1.339) 6.899 22.269 ( 5.926 3.268 -1.339) 6.899 ======================= Grid point 269 (144/170) ======================= q-point: (-0.25 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( -2.053 -7.633 1.537) 8.053 1.357 ( -2.053 7.633 1.537) 8.053 1.870 ( -7.260 -4.700 2.746) 9.074 1.870 ( -7.260 4.700 2.746) 9.074 2.164 ( 1.477 -11.409 2.438) 11.759 2.164 ( 1.477 11.409 2.438) 11.759 2.386 ( -1.758 -4.844 7.228) 8.877 2.386 ( -1.758 4.844 7.228) 8.877 2.660 ( -4.946 -3.448 3.094) 6.777 2.660 ( -4.946 3.448 3.094) 6.777 3.205 ( 1.908 -4.921 -2.268) 5.744 3.205 ( 1.908 4.921 -2.268) 5.744 3.567 ( 0.316 -4.211 1.668) 4.540 3.567 ( 0.316 4.211 1.668) 4.540 4.058 ( 0.810 -6.793 1.854) 7.088 4.058 ( 0.810 6.793 1.854) 7.088 4.323 ( -5.344 -7.928 2.103) 9.790 4.323 ( -5.344 7.928 2.103) 9.790 4.784 ( -4.464 -8.694 4.271) 10.665 4.784 ( -4.464 8.694 4.271) 10.665 5.226 ( 4.070 -11.801 -7.723) 14.679 5.226 ( 4.070 11.801 -7.723) 14.679 5.546 ( -6.605 -5.635 -3.897) 9.517 5.546 ( -6.605 5.635 -3.897) 9.517 5.927 ( 1.354 -8.346 1.602) 8.605 5.927 ( 1.354 8.346 1.602) 8.605 6.491 ( 3.862 -3.302 10.901) 12.027 6.491 ( 3.862 3.302 10.901) 12.027 6.909 ( 3.584 -3.522 1.470) 5.235 6.909 ( 3.584 3.522 1.470) 5.235 7.578 ( 4.303 -3.033 2.178) 5.698 7.578 ( 4.303 3.033 2.178) 5.698 8.262 ( -4.611 -9.727 10.034) 14.716 8.262 ( -4.611 9.727 10.034) 14.716 9.189 ( 3.616 -12.972 -3.217) 13.845 9.189 ( 3.616 12.972 -3.217) 13.845 9.994 ( 8.514 -8.626 2.035) 12.289 9.994 ( 8.514 8.626 2.035) 12.289 11.968 ( 2.876 -2.248 -7.559) 8.394 11.968 ( 2.876 2.248 -7.559) 8.394 12.390 ( 1.116 -7.323 -6.041) 9.558 12.390 ( 1.116 7.323 -6.041) 9.558 13.361 ( -9.085 -7.391 0.727) 11.734 13.361 ( -9.085 7.391 0.727) 11.734 15.339 ( 0.854 -23.005 -2.020) 23.110 15.339 ( 0.854 23.005 -2.020) 23.110 20.292 ( -3.889 -4.448 -1.271) 6.043 20.292 ( -3.889 4.448 -1.271) 6.043 20.837 ( -0.458 -3.338 4.054) 5.272 20.837 ( -0.458 3.338 4.054) 5.272 21.387 ( -2.800 -3.802 -1.733) 5.030 21.387 ( -2.800 3.802 -1.733) 5.030 22.411 ( 9.173 -5.731 2.296) 11.057 22.411 ( 9.173 5.731 2.296) 11.057 ======================= Grid point 271 (145/170) ======================= q-point: (-0.12 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( -6.719 -6.978 -2.357) 9.970 1.280 ( -6.719 6.978 -2.357) 9.970 1.802 ( -4.800 -4.626 6.467) 9.288 1.802 ( -4.800 4.626 6.467) 9.288 2.206 ( 1.868 -10.211 1.090) 10.438 2.206 ( 1.868 10.211 1.090) 10.438 2.411 ( -3.541 -5.075 7.256) 9.537 2.411 ( -3.541 5.075 7.256) 9.537 2.624 ( -2.864 -3.818 3.039) 5.658 2.624 ( -2.864 3.818 3.039) 5.658 3.179 ( -1.973 -6.145 -2.732) 7.009 3.179 ( -1.973 6.145 -2.732) 7.009 3.576 ( 1.363 -5.869 -1.442) 6.195 3.576 ( 1.363 5.869 -1.442) 6.195 4.070 ( -3.030 -5.695 -0.020) 6.451 4.070 ( -3.030 5.695 -0.020) 6.451 4.327 ( 1.547 -5.425 7.967) 9.762 4.327 ( 1.547 5.425 7.967) 9.762 4.757 ( -2.594 -8.420 4.787) 10.027 4.757 ( -2.594 8.420 4.787) 10.027 5.213 ( 1.997 -10.072 -6.925) 12.386 5.213 ( 1.997 10.072 -6.925) 12.386 5.411 ( -3.914 -5.366 -2.566) 7.121 5.411 ( -3.914 5.366 -2.566) 7.121 6.006 ( 4.579 -6.198 1.544) 7.859 6.006 ( 4.579 6.198 1.544) 7.859 6.700 ( 5.866 -5.791 11.635) 14.259 6.700 ( 5.866 5.791 11.635) 14.259 6.996 ( 3.656 -5.243 6.038) 8.793 6.996 ( 3.656 5.243 6.038) 8.793 7.627 ( 0.677 -7.205 0.388) 7.247 7.627 ( 0.677 7.205 0.388) 7.247 8.296 ( -2.564 -4.674 8.562) 10.086 8.296 ( -2.564 4.674 8.562) 10.086 9.224 ( 2.851 -13.169 -1.012) 13.511 9.224 ( 2.851 13.169 -1.012) 13.511 10.149 ( 6.849 -6.220 1.711) 9.409 10.149 ( 6.849 6.220 1.711) 9.409 11.951 ( 3.546 -3.438 -8.397) 9.742 11.951 ( 3.546 3.438 -8.397) 9.742 12.329 ( -1.160 -5.902 -6.571) 8.908 12.329 ( -1.160 5.902 -6.571) 8.908 13.209 ( -7.953 -5.659 -0.380) 9.768 13.209 ( -7.953 5.659 -0.380) 9.768 15.325 ( -0.025 -20.686 -2.298) 20.813 15.325 ( -0.025 20.686 -2.298) 20.813 20.207 ( -3.795 -3.891 -1.898) 5.757 20.207 ( -3.795 3.891 -1.898) 5.757 20.863 ( -0.773 -2.965 3.714) 4.814 20.863 ( -0.773 2.965 3.714) 4.814 21.336 ( -1.351 -3.261 -1.467) 3.822 21.336 ( -1.351 3.261 -1.467) 3.822 22.588 ( 7.587 -5.681 3.508) 10.107 22.588 ( 7.587 5.681 3.508) 10.107 ======================= Grid point 297 (146/170) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( -0.000 0.000 0.000) 0.000 1.335 ( 0.000 0.000 0.000) 0.000 1.679 ( -0.000 0.000 0.000) 0.000 1.851 ( 0.000 0.000 0.000) 0.000 1.905 ( -0.000 0.000 0.000) 0.000 1.970 ( -0.000 0.000 0.000) 0.000 2.045 ( 0.000 0.000 -0.000) 0.000 2.284 ( 0.000 0.000 0.000) 0.000 2.649 ( -0.000 0.000 0.000) 0.000 2.708 ( -0.000 0.000 0.000) 0.000 3.010 ( 0.000 0.000 -0.000) 0.000 3.077 ( 0.000 0.000 0.000) 0.000 3.462 ( 0.000 0.000 -0.000) 0.000 3.501 ( -0.000 0.000 0.000) 0.000 3.632 ( 0.000 0.000 0.000) 0.000 3.999 ( 0.000 0.000 -0.000) 0.000 4.085 ( -0.000 0.000 0.000) 0.000 4.142 ( -0.000 0.000 0.000) 0.000 4.393 ( 0.000 0.000 0.000) 0.000 4.445 ( -0.000 0.000 0.000) 0.000 4.965 ( -0.000 0.000 0.000) 0.000 5.056 ( -0.000 0.000 0.000) 0.000 5.236 ( -0.000 0.000 0.000) 0.000 5.391 ( 0.000 0.000 0.000) 0.000 5.851 ( 0.000 0.000 0.000) 0.000 5.912 ( -0.000 0.000 0.000) 0.000 6.258 ( -0.000 0.000 0.000) 0.000 6.740 ( 0.000 0.000 0.000) 0.000 6.910 ( -0.000 0.000 0.000) 0.000 7.107 ( 0.000 0.000 0.000) 0.000 7.889 ( 0.000 0.000 0.000) 0.000 8.092 ( -0.000 0.000 0.000) 0.000 8.456 ( 0.000 0.000 0.000) 0.000 8.975 ( -0.000 0.000 0.000) 0.000 9.061 ( -0.000 0.000 0.000) 0.000 9.699 ( 0.000 0.000 0.000) 0.000 9.962 ( -0.000 0.000 0.000) 0.000 10.194 ( -0.000 0.000 0.000) 0.000 11.893 ( -0.000 0.000 0.000) 0.000 12.136 ( -0.000 0.000 0.000) 0.000 12.266 ( -0.000 0.000 0.000) 0.000 12.627 ( -0.000 0.000 0.000) 0.000 12.633 ( 0.000 0.000 -0.000) 0.000 13.152 ( 0.000 0.000 0.000) 0.000 13.728 ( -0.000 0.000 0.000) 0.000 16.331 ( -0.000 0.000 0.000) 0.000 20.010 ( -0.000 0.000 0.000) 0.000 20.531 ( 0.000 0.000 0.000) 0.000 20.905 ( 0.000 0.000 0.000) 0.000 20.914 ( -0.000 0.000 0.000) 0.000 21.119 ( -0.000 0.000 0.000) 0.000 21.565 ( 0.000 0.000 0.000) 0.000 21.940 ( -0.000 0.000 0.000) 0.000 23.284 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 299 (147/170) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 9.341 0.000 -0.347) 9.347 1.389 ( 6.448 0.000 -3.759) 7.464 1.693 ( 1.528 0.000 0.098) 1.531 1.802 ( -0.501 0.000 -1.466) 1.549 1.940 ( 1.729 0.000 -2.112) 2.730 1.989 ( 2.431 0.000 -3.196) 4.016 2.089 ( 7.395 0.000 0.896) 7.449 2.271 ( 0.014 0.000 -3.097) 3.097 2.516 ( -5.331 0.000 -6.084) 8.089 2.791 ( 3.332 0.000 1.833) 3.803 3.064 ( 7.240 0.000 -5.006) 8.802 3.133 ( 4.060 0.000 4.215) 5.852 3.445 ( 3.705 0.000 -13.418) 13.920 3.535 ( -1.729 0.000 11.059) 11.193 3.649 ( 1.847 0.000 1.797) 2.577 3.940 ( -8.777 0.000 6.239) 10.768 4.034 ( -7.878 0.000 -2.761) 8.348 4.075 ( 1.903 0.000 -9.587) 9.775 4.396 ( -2.504 0.000 3.218) 4.078 4.472 ( 5.236 0.000 -6.254) 8.157 4.917 ( -2.787 0.000 -1.428) 3.131 5.078 ( -1.851 0.000 4.177) 4.569 5.247 ( 0.475 0.000 1.796) 1.858 5.397 ( 0.551 0.000 -1.879) 1.958 5.690 ( -11.220 0.000 0.759) 11.246 5.981 ( 7.389 0.000 1.307) 7.504 6.393 ( 5.165 0.000 0.860) 5.237 6.624 ( -8.608 0.000 -5.157) 10.034 6.943 ( 4.729 0.000 -2.148) 5.194 7.049 ( -1.566 0.000 -8.915) 9.051 7.804 ( -8.757 0.000 -14.740) 17.145 7.886 ( -7.465 0.000 2.312) 7.815 8.595 ( 4.216 0.000 2.434) 4.868 8.941 ( 3.720 0.000 -6.667) 7.635 9.154 ( 6.332 0.000 4.999) 8.068 9.718 ( -0.936 0.000 2.079) 2.280 9.788 ( -5.808 0.000 -16.086) 17.102 10.260 ( -9.155 0.000 23.609) 25.322 11.888 ( -2.246 0.000 2.615) 3.447 12.149 ( 0.517 0.000 1.239) 1.342 12.268 ( 3.041 0.000 -2.909) 4.208 12.588 ( -3.441 0.000 5.169) 6.209 12.708 ( 5.609 0.000 -1.757) 5.878 13.175 ( 2.623 0.000 -0.803) 2.743 13.755 ( 2.754 0.000 0.315) 2.772 16.470 ( 10.315 0.000 9.881) 14.284 20.034 ( 1.654 0.000 2.104) 2.676 20.536 ( 0.913 0.000 -0.863) 1.257 20.890 ( -1.590 0.000 0.944) 1.849 20.928 ( 0.654 0.000 0.491) 0.818 21.104 ( -2.706 0.000 1.824) 3.264 21.551 ( 1.028 0.000 -7.043) 7.117 21.894 ( -1.694 0.000 -4.457) 4.768 23.254 ( -5.707 0.000 3.875) 6.899 ======================= Grid point 300 (148/170) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 11.042 0.000 0.643) 11.060 1.451 ( 4.631 0.000 -2.008) 5.047 1.725 ( -0.631 0.000 -0.419) 0.757 1.760 ( 2.657 0.000 -8.915) 9.302 1.910 ( -0.370 0.000 -13.373) 13.378 2.076 ( 9.872 0.000 5.276) 11.194 2.217 ( -0.102 0.000 -1.957) 1.960 2.304 ( 7.954 0.000 0.899) 8.004 2.402 ( 0.965 0.000 -2.679) 2.847 2.883 ( 5.559 0.000 2.791) 6.221 3.134 ( 6.389 0.000 -4.918) 8.062 3.241 ( 3.259 0.000 -2.548) 4.137 3.349 ( 2.039 0.000 -9.977) 10.183 3.606 ( -1.461 0.000 7.777) 7.913 3.719 ( 0.506 0.000 1.958) 2.022 3.857 ( -4.053 0.000 4.920) 6.375 3.875 ( -7.310 0.000 -2.425) 7.702 3.986 ( 0.957 0.000 -11.007) 11.048 4.334 ( -6.487 0.000 1.434) 6.643 4.523 ( 6.651 0.000 -4.678) 8.131 4.862 ( -3.256 0.000 -0.017) 3.256 5.061 ( -4.643 0.000 5.222) 6.988 5.220 ( -5.791 0.000 -4.612) 7.404 5.367 ( -1.582 0.000 1.155) 1.959 5.593 ( -2.088 0.000 3.562) 4.129 6.137 ( 6.639 0.000 -1.278) 6.761 6.333 ( -5.689 0.000 -9.704) 11.249 6.439 ( -5.253 0.000 -2.041) 5.636 6.865 ( -3.370 0.000 -16.776) 17.111 7.011 ( -0.021 0.000 -0.508) 0.508 7.570 ( -4.792 0.000 -1.870) 5.144 7.875 ( 2.084 0.000 3.346) 3.942 8.528 ( -4.883 0.000 -9.650) 10.815 9.042 ( 10.101 0.000 -3.117) 10.571 9.294 ( 2.168 0.000 -1.855) 2.853 9.505 ( -5.282 0.000 -7.694) 9.332 9.747 ( -2.107 0.000 3.451) 4.043 10.274 ( -13.206 0.000 22.364) 25.971 11.863 ( -4.109 0.000 4.462) 6.066 12.175 ( 3.589 0.000 -2.812) 4.560 12.325 ( 4.534 0.000 -0.744) 4.594 12.605 ( -0.009 0.000 4.166) 4.166 12.785 ( 4.007 0.000 1.360) 4.231 13.204 ( 1.888 0.000 -2.195) 2.895 13.816 ( 3.596 0.000 0.373) 3.615 16.814 ( 13.345 0.000 17.404) 21.931 20.101 ( 2.745 0.000 3.937) 4.799 20.536 ( 0.483 0.000 -2.346) 2.395 20.874 ( -1.587 0.000 1.840) 2.430 20.943 ( 0.498 0.000 0.735) 0.887 21.063 ( -4.385 0.000 2.412) 5.004 21.435 ( -1.381 0.000 -16.590) 16.648 21.854 ( 0.547 0.000 -1.677) 1.764 23.166 ( -8.781 0.000 4.805) 10.010 ======================= Grid point 301 (149/170) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 6.713 0.000 0.878) 6.770 1.514 ( 3.091 0.000 -0.317) 3.107 1.613 ( -2.042 0.000 -9.247) 9.470 1.738 ( -4.311 0.000 -10.455) 11.309 1.828 ( 4.577 0.000 1.182) 4.727 2.119 ( -2.840 0.000 -3.867) 4.798 2.231 ( -1.593 0.000 -3.690) 4.019 2.393 ( 11.356 0.000 4.493) 12.213 2.604 ( 8.586 0.000 5.419) 10.153 3.011 ( 8.124 0.000 -5.461) 9.788 3.085 ( -4.539 0.000 -1.607) 4.815 3.274 ( 10.195 0.000 -2.846) 10.584 3.394 ( 1.727 0.000 -4.388) 4.716 3.581 ( -5.081 0.000 0.312) 5.091 3.629 ( -5.651 0.000 -1.791) 5.928 3.782 ( -4.023 0.000 4.618) 6.125 3.941 ( 2.300 0.000 -2.654) 3.512 3.964 ( 4.952 0.000 4.929) 6.987 4.244 ( -3.099 0.000 -1.267) 3.348 4.602 ( 6.119 0.000 -2.579) 6.640 4.795 ( -4.458 0.000 -0.028) 4.458 4.973 ( -11.545 0.000 -7.057) 13.531 5.025 ( -5.848 0.000 2.818) 6.491 5.370 ( -0.099 0.000 1.108) 1.112 5.654 ( 2.688 0.000 5.874) 6.460 6.053 ( -6.665 0.000 -12.277) 13.970 6.203 ( -0.136 0.000 0.854) 0.865 6.411 ( 0.068 0.000 -2.911) 2.912 6.658 ( -3.182 0.000 -14.798) 15.136 6.984 ( -3.120 0.000 3.533) 4.713 7.610 ( 7.253 0.000 4.011) 8.289 7.980 ( 1.910 0.000 5.610) 5.926 8.354 ( -2.527 0.000 -9.960) 10.276 9.007 ( -11.032 0.000 -8.642) 14.014 9.223 ( 6.401 0.000 -6.335) 9.006 9.545 ( 0.854 0.000 5.290) 5.358 9.749 ( 0.678 0.000 2.474) 2.566 10.243 ( -8.794 0.000 12.858) 15.578 11.840 ( -2.592 0.000 3.137) 4.069 12.218 ( 3.695 0.000 -2.017) 4.210 12.381 ( 2.247 0.000 -0.189) 2.255 12.636 ( 0.707 0.000 0.203) 0.736 12.882 ( 3.700 0.000 4.907) 6.146 13.193 ( -0.158 0.000 -3.190) 3.194 13.871 ( 2.316 0.000 0.186) 2.323 17.162 ( 8.278 0.000 14.524) 16.718 20.190 ( 2.645 0.000 4.718) 5.408 20.505 ( -0.700 0.000 -3.927) 3.989 20.873 ( -0.818 0.000 2.691) 2.812 20.957 ( 0.416 0.000 -0.002) 0.416 20.993 ( -4.620 0.000 -0.454) 4.642 21.270 ( -0.442 0.000 -12.460) 12.467 21.858 ( 0.684 0.000 -0.773) 1.032 23.067 ( -6.268 0.000 3.145) 7.013 ======================= Grid point 302 (150/170) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( -0.000 0.000 0.000) 0.000 1.513 ( -0.000 0.000 0.000) 0.000 1.573 ( -0.000 0.000 0.000) 0.000 1.632 ( -0.000 0.000 0.000) 0.000 1.895 ( -0.000 0.000 0.000) 0.000 2.055 ( -0.000 0.000 0.000) 0.000 2.195 ( -0.000 0.000 0.000) 0.000 2.568 ( 0.000 0.000 0.000) 0.000 2.651 ( -0.000 0.000 0.000) 0.000 2.988 ( -0.000 0.000 0.000) 0.000 3.208 ( -0.000 0.000 0.000) 0.000 3.244 ( 0.000 0.000 0.000) 0.000 3.430 ( 0.000 0.000 0.000) 0.000 3.514 ( -0.000 0.000 0.000) 0.000 3.567 ( -0.000 0.000 0.000) 0.000 3.768 ( -0.000 0.000 0.000) 0.000 3.959 ( -0.000 0.000 0.000) 0.000 4.046 ( -0.000 0.000 0.000) 0.000 4.224 ( -0.000 0.000 0.000) 0.000 4.656 ( -0.000 0.000 0.000) 0.000 4.736 ( -0.000 0.000 0.000) 0.000 4.803 ( -0.000 0.000 0.000) 0.000 4.985 ( -0.000 0.000 0.000) 0.000 5.375 ( -0.000 0.000 0.000) 0.000 5.729 ( -0.000 0.000 0.000) 0.000 5.904 ( -0.000 0.000 0.000) 0.000 6.240 ( -0.000 0.000 0.000) 0.000 6.388 ( -0.000 0.000 0.000) 0.000 6.530 ( -0.000 0.000 0.000) 0.000 6.975 ( -0.000 0.000 0.000) 0.000 7.769 ( 0.000 0.000 0.000) 0.000 7.962 ( -0.000 0.000 0.000) 0.000 8.315 ( -0.000 0.000 0.000) 0.000 8.827 ( 0.000 0.000 0.000) 0.000 9.258 ( -0.000 0.000 0.000) 0.000 9.563 ( -0.000 0.000 0.000) 0.000 9.786 ( -0.000 0.000 0.000) 0.000 10.224 ( -0.000 0.000 0.000) 0.000 11.832 ( -0.000 0.000 0.000) 0.000 12.245 ( -0.000 0.000 0.000) 0.000 12.399 ( -0.000 0.000 0.000) 0.000 12.639 ( -0.000 0.000 0.000) 0.000 12.952 ( -0.000 0.000 0.000) 0.000 13.166 ( -0.000 0.000 0.000) 0.000 13.893 ( -0.000 0.000 0.000) 0.000 17.306 ( -0.000 0.000 0.000) 0.000 20.246 ( -0.000 0.000 0.000) 0.000 20.469 ( -0.000 0.000 0.000) 0.000 20.897 ( -0.000 0.000 -0.000) 0.000 20.917 ( -0.000 0.000 0.000) 0.000 20.968 ( -0.000 0.000 0.000) 0.000 21.212 ( -0.000 0.000 0.000) 0.000 21.859 ( -0.000 0.000 0.000) 0.000 23.027 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 307 (151/170) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( 0.000 20.583 0.000) 20.583 1.300 ( -0.000 -3.817 0.000) 3.817 1.693 ( -0.000 3.813 0.000) 3.813 1.824 ( 0.000 -5.392 0.000) 5.392 1.870 ( -0.000 -0.326 0.000) 0.326 1.994 ( -0.000 0.532 0.000) 0.532 2.123 ( 0.000 7.704 -0.000) 7.704 2.310 ( 0.000 2.186 0.000) 2.186 2.687 ( 0.000 3.449 0.000) 3.449 2.724 ( -0.000 0.673 0.000) 0.673 3.066 ( 0.000 -1.193 0.000) 1.193 3.126 ( -0.000 9.435 -0.000) 9.435 3.415 ( 0.000 -2.628 0.000) 2.628 3.457 ( 0.000 -0.336 -0.000) 0.336 3.814 ( 0.000 11.017 0.000) 11.017 4.030 ( 0.000 3.776 -0.000) 3.776 4.122 ( -0.000 3.456 0.000) 3.456 4.238 ( -0.000 9.124 0.000) 9.124 4.335 ( -0.000 -5.364 0.000) 5.364 4.538 ( -0.000 6.934 0.000) 6.934 5.009 ( 0.000 3.927 -0.000) 3.927 5.045 ( -0.000 1.339 0.000) 1.339 5.262 ( -0.000 -5.040 0.000) 5.040 5.381 ( 0.000 10.264 0.000) 10.264 5.772 ( 0.000 -11.132 0.000) 11.132 6.135 ( -0.000 21.195 0.000) 21.195 6.393 ( 0.000 10.571 0.000) 10.571 6.690 ( 0.000 -4.869 0.000) 4.869 6.919 ( -0.000 1.273 0.000) 1.273 7.101 ( -0.000 0.141 0.000) 0.141 7.836 ( 0.000 -6.394 0.000) 6.394 8.075 ( 0.000 -2.055 0.000) 2.055 8.355 ( -0.000 -6.519 0.000) 6.519 8.968 ( -0.000 -1.861 0.000) 1.861 9.118 ( -0.000 3.855 0.000) 3.855 9.625 ( 0.000 -6.322 0.000) 6.322 10.000 ( 0.000 3.770 -0.000) 3.770 10.196 ( -0.000 0.319 0.000) 0.319 11.850 ( -0.000 -3.034 0.000) 3.034 12.031 ( 0.000 -8.811 0.000) 8.811 12.265 ( -0.000 -1.413 0.000) 1.413 12.577 ( -0.000 -4.603 0.000) 4.603 12.712 ( 0.000 8.107 0.000) 8.107 13.197 ( -0.000 3.106 0.000) 3.106 13.885 ( -0.000 14.744 0.000) 14.744 16.221 ( -0.000 -9.859 0.000) 9.859 20.017 ( 0.000 0.663 0.000) 0.663 20.466 ( 0.000 -5.613 0.000) 5.613 20.878 ( -0.000 -1.617 0.000) 1.617 20.944 ( 0.000 2.557 0.000) 2.557 21.122 ( -0.000 0.359 0.000) 0.359 21.535 ( 0.000 -2.995 0.000) 2.995 22.113 ( -0.000 14.336 0.000) 14.336 23.194 ( -0.000 -8.157 0.000) 8.157 ======================= Grid point 309 (152/170) ======================= q-point: ( 0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( 4.054 16.750 -1.030) 17.265 1.331 ( 4.708 -4.172 -2.914) 6.932 1.714 ( 2.253 1.082 -2.300) 3.397 1.815 ( 2.710 2.598 -0.148) 3.758 1.963 ( 8.010 -1.038 0.756) 8.112 2.008 ( 1.814 0.693 -2.334) 3.036 2.128 ( 2.570 6.372 -1.655) 7.067 2.342 ( 2.965 6.238 -0.058) 6.907 2.552 ( -5.225 3.189 -6.196) 8.710 2.807 ( 2.289 0.908 2.786) 3.719 3.020 ( 2.101 -2.385 -4.301) 5.347 3.231 ( 5.007 5.910 1.528) 7.895 3.388 ( 1.029 -1.604 -6.889) 7.148 3.513 ( 2.584 -0.184 6.472) 6.972 3.817 ( 0.137 10.443 1.055) 10.497 3.974 ( -5.830 3.686 0.637) 6.927 4.084 ( -5.134 5.681 -1.874) 7.883 4.177 ( -0.796 7.373 -6.035) 9.561 4.342 ( -2.323 -3.184 2.856) 4.867 4.557 ( 4.586 6.525 -4.410) 9.114 5.003 ( -1.016 4.479 0.728) 4.650 5.052 ( -0.927 3.124 1.087) 3.435 5.269 ( -0.125 -4.302 -0.409) 4.324 5.390 ( -0.002 7.230 2.984) 7.821 5.817 ( 3.701 -9.797 0.560) 10.488 5.945 ( -10.417 17.632 -1.029) 20.505 6.506 ( 1.862 6.413 -2.948) 7.300 6.607 ( -5.689 -0.800 -1.685) 5.987 6.966 ( 4.579 2.131 -2.409) 5.595 7.037 ( -0.938 0.117 -8.014) 8.070 7.728 ( -10.722 -8.451 -7.288) 15.476 7.888 ( -5.628 1.014 -3.852) 6.895 8.543 ( 9.262 -5.189 2.698) 10.954 8.947 ( 2.023 1.535 -8.746) 9.108 9.127 ( 3.210 -4.130 1.543) 5.454 9.648 ( -0.767 -5.619 -1.570) 5.884 9.844 ( -7.565 4.995 -5.690) 10.703 10.248 ( -8.713 -0.959 18.962) 20.890 11.830 ( -2.762 -4.119 1.298) 5.126 12.053 ( 3.214 -7.580 -1.117) 8.308 12.283 ( 1.993 -0.588 0.204) 2.088 12.593 ( -0.619 -2.369 5.206) 5.753 12.737 ( 3.528 5.433 -1.587) 6.669 13.238 ( 3.102 5.279 1.252) 6.250 13.901 ( 1.634 13.755 0.330) 13.856 16.339 ( 9.278 -11.758 7.402) 16.707 20.040 ( 1.537 0.579 2.051) 2.628 20.474 ( 1.021 -5.260 -0.285) 5.365 20.872 ( -0.628 -1.223 -0.077) 1.377 20.950 ( 0.238 2.251 0.679) 2.363 21.104 ( -2.664 0.372 1.697) 3.181 21.546 ( 2.504 -1.570 -3.769) 4.789 22.051 ( -3.403 13.497 -5.463) 14.953 23.157 ( -5.657 -8.675 2.529) 10.661 ======================= Grid point 310 (153/170) ======================= q-point: ( 0.25 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 5.980 10.006 0.061) 11.657 1.386 ( 3.990 -4.698 -2.820) 6.778 1.717 ( 1.923 0.939 -2.605) 3.371 1.881 ( 4.381 7.944 -6.054) 10.906 1.941 ( -1.721 1.787 -9.770) 10.080 2.149 ( 8.831 -3.227 -1.486) 9.519 2.192 ( 5.533 8.476 3.359) 10.665 2.414 ( 1.022 7.705 2.763) 8.249 2.453 ( 4.152 5.449 -3.427) 7.660 2.883 ( 4.723 -0.261 2.515) 5.357 3.063 ( 6.382 -4.356 -3.316) 8.409 3.244 ( -2.385 -1.638 -6.362) 6.989 3.353 ( 2.329 2.293 -3.489) 4.780 3.631 ( 3.437 1.582 5.445) 6.630 3.796 ( -6.210 4.798 -3.930) 8.777 3.903 ( -0.007 5.923 2.796) 6.549 3.965 ( -2.636 8.513 -4.716) 10.083 4.118 ( -1.152 9.845 -2.755) 10.288 4.295 ( -5.805 -1.782 3.044) 6.793 4.616 ( 6.348 7.464 -3.753) 10.493 4.951 ( -4.151 5.709 -2.268) 7.414 5.060 ( -1.598 3.183 5.832) 6.834 5.200 ( -6.339 -1.447 -3.737) 7.500 5.431 ( 0.291 4.458 3.552) 5.708 5.750 ( -4.907 13.355 0.265) 14.231 5.980 ( 5.831 -8.790 -0.782) 10.577 6.380 ( -6.731 0.817 -6.187) 9.179 6.498 ( -2.533 5.105 -6.855) 8.915 6.828 ( -4.902 -2.671 -14.751) 15.772 7.047 ( -0.403 2.652 -2.054) 3.379 7.533 ( -5.701 -3.923 2.738) 7.443 7.845 ( 1.829 -2.023 -0.051) 2.728 8.542 ( -3.654 -0.053 -11.518) 12.084 9.004 ( 10.609 -3.476 -3.216) 11.618 9.250 ( 7.138 -5.893 2.254) 9.527 9.437 ( -10.117 -3.545 -12.794) 16.692 9.799 ( -3.042 4.391 6.492) 8.407 10.207 ( -15.352 -5.978 18.509) 24.780 11.801 ( -2.279 -3.686 2.802) 5.161 12.111 ( 5.201 -5.504 -2.927) 8.119 12.333 ( 2.620 -1.246 1.508) 3.270 12.649 ( 0.351 0.156 6.521) 6.533 12.799 ( 5.175 3.953 -0.985) 6.586 13.288 ( 1.248 8.618 0.470) 8.721 13.942 ( 2.684 11.696 0.244) 12.003 16.631 ( 12.168 -16.432 13.136) 24.303 20.101 ( 2.497 0.196 3.469) 4.279 20.487 ( 0.903 -3.959 -1.039) 4.191 20.858 ( -0.973 -1.120 0.312) 1.517 20.959 ( -0.149 1.613 0.683) 1.758 21.076 ( -2.460 1.660 2.675) 3.996 21.505 ( -0.617 3.481 -10.620) 11.193 21.954 ( -1.366 9.829 -3.798) 10.626 23.054 ( -8.833 -10.075 2.878) 13.705 ======================= Grid point 311 (154/170) ======================= q-point: ( 0.38 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 5.392 6.531 1.140) 8.545 1.401 ( 1.161 -6.295 -2.925) 7.037 1.695 ( -1.679 0.932 -9.718) 9.906 1.779 ( -2.709 5.770 -4.907) 8.044 1.900 ( 1.646 6.623 -1.999) 7.111 2.164 ( 0.993 0.435 -2.977) 3.169 2.326 ( -1.279 9.365 -0.026) 9.452 2.448 ( 9.203 4.775 2.635) 10.697 2.630 ( 7.323 1.826 2.140) 7.845 3.003 ( 9.315 -0.621 -3.958) 10.140 3.083 ( -3.716 0.339 -2.449) 4.463 3.205 ( 6.485 -5.250 1.911) 8.560 3.362 ( 0.919 -0.642 -3.867) 4.026 3.583 ( -10.507 0.741 -5.716) 11.984 3.711 ( 1.592 5.343 1.756) 5.845 3.909 ( 0.862 8.947 1.610) 9.132 4.013 ( 3.508 6.305 2.932) 7.788 4.077 ( -1.500 10.469 -0.427) 10.584 4.237 ( -2.364 1.058 1.171) 2.843 4.691 ( 5.708 7.032 -3.082) 9.567 4.852 ( -4.562 4.296 -2.380) 6.703 4.993 ( -10.939 3.045 -2.296) 11.585 5.080 ( -2.374 5.907 1.926) 6.652 5.452 ( -0.059 6.269 1.253) 6.393 5.745 ( 0.994 9.224 4.585) 10.349 5.971 ( -1.895 -6.164 -7.663) 10.015 6.224 ( -4.164 1.508 -1.739) 4.758 6.427 ( -0.674 1.661 -6.443) 6.687 6.640 ( -2.043 -1.465 -12.273) 12.528 7.011 ( -2.252 1.452 2.725) 3.822 7.566 ( 4.698 -3.854 5.930) 8.490 7.909 ( 0.280 -5.790 3.835) 6.951 8.348 ( -2.522 -1.239 -13.220) 13.515 9.004 ( -10.112 -2.482 -5.933) 11.984 9.263 ( 7.316 5.630 -4.765) 10.388 9.431 ( 7.566 -10.976 0.724) 13.350 9.773 ( -5.514 3.228 4.502) 7.816 10.110 ( -10.931 -12.304 11.390) 20.016 11.803 ( -0.872 -1.627 2.673) 3.248 12.163 ( 3.630 -4.701 -2.574) 6.473 12.387 ( 1.781 -2.482 1.561) 3.430 12.699 ( 0.207 2.508 2.760) 3.735 12.893 ( 4.831 3.102 1.756) 6.004 13.286 ( -0.869 10.762 -0.864) 10.831 13.986 ( 2.005 10.284 0.085) 10.478 16.925 ( 7.654 -21.197 10.902) 25.035 20.177 ( 2.234 -0.734 3.344) 4.088 20.481 ( -0.030 -1.654 -1.747) 2.406 20.848 ( -0.715 -2.086 0.743) 2.327 20.952 ( -0.926 1.382 -0.033) 1.664 21.081 ( -0.261 5.470 3.438) 6.466 21.356 ( -2.954 6.263 -11.747) 13.637 21.936 ( 0.841 7.443 -1.094) 7.570 22.937 ( -6.534 -11.920 1.807) 13.713 ======================= Grid point 312 (155/170) ======================= q-point: ( 0.50 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( -0.000 6.420 0.000) 6.420 1.392 ( 0.000 -6.370 0.000) 6.370 1.599 ( -0.000 -2.051 0.000) 2.051 1.732 ( 0.000 9.780 0.000) 9.780 1.922 ( -0.000 2.997 -0.000) 2.997 2.157 ( -0.000 2.640 0.000) 2.640 2.301 ( -0.000 12.183 -0.000) 12.183 2.599 ( 0.000 2.786 -0.000) 2.786 2.638 ( -0.000 -2.713 0.000) 2.713 3.035 ( -0.000 3.821 -0.000) 3.821 3.145 ( -0.000 -3.784 0.000) 3.784 3.253 ( 0.000 -1.836 -0.000) 1.836 3.357 ( 0.000 -2.163 0.000) 2.163 3.426 ( -0.000 -1.880 -0.000) 1.880 3.727 ( -0.000 6.083 0.000) 6.083 3.943 ( 0.000 13.459 -0.000) 13.459 4.024 ( 0.000 7.895 -0.000) 7.895 4.098 ( -0.000 4.476 -0.000) 4.476 4.232 ( -0.000 1.927 0.000) 1.927 4.719 ( -0.000 2.896 0.000) 2.896 4.795 ( -0.000 7.952 0.000) 7.952 4.872 ( -0.000 5.682 0.000) 5.682 5.059 ( 0.000 7.797 -0.000) 7.797 5.458 ( -0.000 7.099 0.000) 7.099 5.809 ( -0.000 8.240 0.000) 8.240 5.870 ( -0.000 -3.466 0.000) 3.466 6.206 ( -0.000 -2.457 0.000) 2.457 6.387 ( -0.000 0.357 -0.000) 0.357 6.542 ( -0.000 1.130 0.000) 1.130 7.010 ( -0.000 2.102 0.000) 2.102 7.728 ( 0.000 -3.882 0.000) 3.882 7.851 ( -0.000 -9.323 -0.000) 9.323 8.282 ( -0.000 -3.206 0.000) 3.206 8.846 ( 0.000 0.568 0.000) 0.568 9.329 ( -0.000 6.876 -0.000) 6.876 9.504 ( 0.000 -7.492 0.000) 7.492 9.739 ( -0.000 -1.163 -0.000) 1.163 10.065 ( -0.000 -14.800 0.000) 14.800 11.809 ( -0.000 -0.601 0.000) 0.601 12.182 ( -0.000 -4.835 0.000) 4.835 12.411 ( 0.000 -2.857 0.000) 2.857 12.712 ( -0.000 3.951 0.000) 3.951 12.953 ( -0.000 1.802 0.000) 1.802 13.268 ( 0.000 11.950 -0.000) 11.950 14.005 ( -0.000 9.891 0.000) 9.891 17.046 ( -0.000 -23.211 0.000) 23.211 20.217 ( -0.000 -1.616 -0.000) 1.616 20.468 ( -0.000 -0.032 0.000) 0.032 20.847 ( -0.000 -3.061 0.000) 3.061 20.940 ( -0.000 2.319 0.000) 2.319 21.108 ( -0.000 9.570 -0.000) 9.570 21.259 ( -0.000 3.645 0.000) 3.645 21.940 ( -0.000 7.569 -0.000) 7.569 22.887 ( -0.000 -12.906 0.000) 12.906 ======================= Grid point 317 (156/170) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( -0.000 -6.860 0.000) 6.860 1.346 ( -0.000 6.288 0.000) 6.288 1.781 ( -0.000 3.887 -0.000) 3.887 1.812 ( 0.000 4.955 0.000) 4.955 1.921 ( -0.000 7.519 0.000) 7.519 1.995 ( 0.000 1.387 0.000) 1.387 2.280 ( -0.000 6.735 -0.000) 6.735 2.361 ( 0.000 2.343 0.000) 2.343 2.711 ( -0.000 -1.864 0.000) 1.864 2.759 ( 0.000 2.832 0.000) 2.832 3.038 ( 0.000 -1.253 0.000) 1.253 3.270 ( 0.000 1.155 0.000) 1.155 3.421 ( 0.000 2.481 -0.000) 2.481 3.494 ( -0.000 5.703 0.000) 5.703 3.977 ( 0.000 4.735 -0.000) 4.735 4.103 ( 0.000 -7.834 0.000) 7.834 4.179 ( -0.000 9.987 -0.000) 9.987 4.319 ( -0.000 7.137 0.000) 7.137 4.497 ( 0.000 15.313 0.000) 15.313 4.650 ( -0.000 3.452 0.000) 3.452 5.068 ( 0.000 1.615 -0.000) 1.615 5.101 ( -0.000 4.116 0.000) 4.116 5.292 ( -0.000 5.028 -0.000) 5.028 5.524 ( -0.000 -11.744 0.000) 11.744 5.634 ( -0.000 14.051 -0.000) 14.051 6.482 ( 0.000 -8.650 0.000) 8.650 6.542 ( -0.000 15.316 -0.000) 15.316 6.684 ( 0.000 10.102 0.000) 10.102 7.006 ( -0.000 9.163 -0.000) 9.163 7.134 ( 0.000 2.978 0.000) 2.978 7.607 ( 0.000 -14.214 0.000) 14.214 8.001 ( -0.000 -4.861 -0.000) 4.861 8.300 ( 0.000 1.169 0.000) 1.169 8.825 ( 0.000 -12.941 -0.000) 12.941 9.170 ( -0.000 0.946 0.000) 0.946 9.497 ( -0.000 -5.520 -0.000) 5.520 10.105 ( 0.000 5.857 -0.000) 5.857 10.213 ( -0.000 1.464 0.000) 1.464 11.814 ( -0.000 0.126 -0.000) 0.126 11.857 ( 0.000 -6.565 0.000) 6.565 12.209 ( -0.000 -3.335 0.000) 3.335 12.468 ( -0.000 -5.916 0.000) 5.916 12.893 ( 0.000 8.049 0.000) 8.049 13.234 ( -0.000 0.045 0.000) 0.045 14.294 ( 0.000 24.037 0.000) 24.037 15.972 ( -0.000 -13.789 0.000) 13.789 20.038 ( 0.000 1.399 0.000) 1.399 20.339 ( -0.000 -6.163 0.000) 6.163 20.860 ( -0.000 -0.159 0.000) 0.159 20.985 ( -0.000 0.492 0.000) 0.492 21.151 ( -0.000 3.014 0.000) 3.014 21.455 ( 0.000 -4.392 0.000) 4.392 22.413 ( -0.000 13.193 0.000) 13.193 22.997 ( -0.000 -9.936 0.000) 9.936 ======================= Grid point 319 (157/170) ======================= q-point: ( 0.12 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( 3.447 -4.286 -0.976) 5.586 1.394 ( 3.056 9.238 -0.905) 9.772 1.726 ( -1.057 1.487 -0.279) 1.846 1.866 ( 5.747 0.578 -3.269) 6.637 2.005 ( 4.264 3.233 -0.967) 5.437 2.032 ( 6.248 6.997 0.949) 9.429 2.292 ( 3.070 8.032 0.505) 8.613 2.454 ( 6.981 3.495 1.647) 7.979 2.613 ( -4.031 1.781 -6.174) 7.586 2.813 ( 0.816 -0.448 3.745) 3.859 2.990 ( -0.085 -0.069 -4.506) 4.507 3.313 ( 0.776 2.329 -0.478) 2.501 3.378 ( -1.385 -1.624 0.515) 2.196 3.567 ( 5.032 5.839 1.659) 7.885 3.989 ( -0.821 5.505 3.685) 6.675 4.074 ( -0.752 1.240 -4.654) 4.874 4.154 ( -1.242 1.402 -3.364) 3.850 4.278 ( -3.146 10.109 -1.697) 10.722 4.496 ( -2.289 14.428 3.239) 14.963 4.666 ( 4.360 3.358 -3.191) 6.361 5.051 ( 1.927 2.644 -2.851) 4.340 5.144 ( -0.207 1.892 1.570) 2.467 5.292 ( -1.754 5.577 4.327) 7.274 5.470 ( -2.520 -4.563 -1.664) 5.472 5.690 ( 4.163 4.788 0.842) 6.400 6.327 ( -7.084 9.348 -5.149) 12.809 6.507 ( -8.152 3.576 0.033) 8.901 6.688 ( 0.802 5.384 -3.392) 6.414 7.014 ( -4.434 2.782 -6.877) 8.643 7.119 ( 4.572 7.924 -1.500) 9.271 7.498 ( -8.434 -12.442 -3.060) 15.339 7.891 ( -4.791 -1.580 -4.967) 7.080 8.434 ( 10.608 -3.952 -1.222) 11.386 8.874 ( 5.854 -13.136 -0.846) 14.406 9.049 ( -5.765 0.432 -9.424) 11.056 9.542 ( -0.207 -4.699 3.783) 6.036 9.962 ( -9.897 5.952 -1.604) 11.660 10.232 ( -7.416 -0.392 9.064) 11.718 11.775 ( -1.656 -0.636 -0.527) 1.850 11.911 ( 4.338 -4.916 0.242) 6.561 12.232 ( 0.734 -3.569 2.516) 4.427 12.496 ( 0.600 -6.067 4.732) 7.718 12.895 ( 1.621 8.340 0.014) 8.496 13.324 ( 7.892 1.816 0.957) 8.155 14.293 ( -1.155 23.584 1.946) 23.692 16.043 ( 6.175 -16.208 3.447) 17.683 20.060 ( 1.447 1.437 1.977) 2.841 20.359 ( 1.622 -5.533 1.028) 5.857 20.859 ( 0.334 -0.026 -1.083) 1.134 20.980 ( -1.517 -0.206 1.701) 2.289 21.143 ( -0.840 3.848 0.771) 4.014 21.485 ( 3.869 -3.937 -1.686) 5.772 22.338 ( -5.230 12.781 -5.084) 14.715 22.949 ( -5.637 -10.434 0.046) 11.859 ======================= Grid point 320 (158/170) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( 2.880 -2.514 0.045) 3.823 1.410 ( 2.787 11.618 -3.176) 12.363 1.753 ( 2.185 0.044 0.247) 2.199 1.903 ( 2.225 -0.994 -7.443) 7.832 2.032 ( 5.104 2.081 -4.871) 7.356 2.164 ( 5.302 7.591 -1.615) 9.399 2.373 ( 2.988 7.501 1.549) 8.221 2.508 ( -1.737 1.622 2.015) 3.116 2.598 ( 7.891 5.448 -1.633) 9.728 2.852 ( 2.721 -3.017 -0.160) 4.066 3.013 ( 5.438 0.173 -1.331) 5.602 3.262 ( -2.722 3.871 -3.277) 5.756 3.370 ( -1.357 -1.566 0.037) 2.072 3.662 ( 3.235 2.232 1.275) 4.132 3.933 ( -5.922 7.684 -6.285) 11.560 4.038 ( 2.541 6.087 -3.402) 7.422 4.118 ( -0.246 -0.922 -0.232) 0.982 4.220 ( -1.147 11.585 -0.249) 11.645 4.481 ( -3.423 15.110 5.175) 16.334 4.737 ( 5.459 3.093 -1.860) 6.544 5.037 ( -0.833 2.693 -5.085) 5.814 5.149 ( 0.390 3.569 2.489) 4.368 5.248 ( -6.982 5.922 2.703) 9.546 5.487 ( 2.578 0.517 3.748) 4.579 5.768 ( 5.576 -2.923 -2.697) 6.850 6.198 ( -5.056 18.131 -2.858) 19.039 6.351 ( -6.947 -0.832 -1.271) 7.111 6.608 ( -1.790 5.420 -11.173) 12.547 6.795 ( -7.746 -0.151 -12.568) 14.764 7.083 ( -4.473 0.353 -4.984) 6.706 7.435 ( -2.953 -4.019 9.558) 10.782 7.801 ( -0.463 -2.890 -4.510) 5.377 8.495 ( 0.281 -4.074 -12.104) 12.774 8.926 ( 2.107 -5.663 -5.201) 7.972 8.992 ( 8.993 -13.371 -2.369) 16.288 9.494 ( -4.880 5.079 -1.375) 7.176 9.828 ( -8.898 -2.769 6.874) 11.580 10.105 ( -14.757 -1.713 6.700) 16.297 11.774 ( 0.518 1.168 2.053) 2.418 11.993 ( 5.405 -5.091 -1.244) 7.529 12.262 ( -0.649 -4.466 3.570) 5.754 12.568 ( 1.362 -6.303 6.763) 9.345 12.963 ( 5.743 10.056 -0.296) 11.584 13.459 ( 5.916 5.196 1.051) 7.944 14.291 ( -1.175 22.165 2.098) 22.296 16.221 ( 8.373 -22.063 6.394) 24.450 20.117 ( 2.329 1.480 2.953) 4.042 20.406 ( 2.164 -3.759 1.592) 4.620 20.846 ( -0.502 -0.120 -1.656) 1.735 20.967 ( -2.164 -1.112 2.581) 3.548 21.153 ( 1.150 5.436 1.207) 5.685 21.522 ( 2.594 -1.372 -4.489) 5.363 22.188 ( -5.148 10.890 -5.332) 13.172 22.812 ( -9.381 -11.951 -0.859) 15.218 ======================= Grid point 321 (159/170) ======================= q-point: ( 0.38 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 1.178 -2.944 -1.488) 3.502 1.456 ( 3.531 11.070 -0.980) 11.661 1.694 ( -4.094 -0.115 -7.775) 8.788 1.894 ( 2.343 5.073 -0.712) 5.633 2.063 ( 1.484 5.921 -4.509) 7.589 2.150 ( -0.089 1.753 -3.676) 4.073 2.456 ( 5.624 -0.916 0.657) 5.736 2.516 ( -1.958 2.701 4.417) 5.535 2.687 ( 2.214 3.671 -2.638) 5.034 2.953 ( 9.994 -4.931 -1.396) 11.231 3.067 ( 1.262 -1.216 -3.150) 3.605 3.196 ( -2.390 3.015 0.820) 3.934 3.370 ( 1.310 2.096 1.700) 3.000 3.625 ( -6.099 2.688 -5.935) 8.924 3.800 ( -2.186 4.228 -2.612) 5.429 4.090 ( 4.271 8.789 1.593) 9.901 4.130 ( 2.189 -0.385 -0.048) 2.223 4.238 ( 2.249 13.210 -0.445) 13.407 4.472 ( -3.530 16.566 4.779) 17.599 4.776 ( -0.163 1.043 -0.786) 1.316 4.989 ( 2.502 7.515 -5.600) 9.700 5.080 ( -5.649 6.170 -2.284) 8.671 5.242 ( -1.273 7.901 6.162) 10.101 5.571 ( 2.580 4.798 3.975) 6.744 5.801 ( 2.008 -4.672 -5.407) 7.423 6.095 ( -4.150 18.072 0.789) 18.559 6.241 ( -4.714 -0.131 -3.366) 5.794 6.474 ( -2.185 2.597 -9.666) 10.245 6.622 ( -0.726 0.659 -7.379) 7.443 7.005 ( -1.424 -2.186 0.706) 2.703 7.479 ( -0.440 -4.021 8.630) 9.531 7.777 ( -2.000 -6.876 -0.914) 7.219 8.297 ( -3.273 -3.306 -16.376) 17.024 8.900 ( -4.749 -6.876 -0.696) 8.385 9.156 ( 13.394 -11.613 -3.773) 18.125 9.468 ( 3.573 10.425 -1.636) 11.142 9.729 ( -11.123 -15.339 8.810) 20.895 9.907 ( -12.039 1.129 2.401) 12.327 11.813 ( 0.966 2.362 2.546) 3.605 12.058 ( 3.721 -5.005 -1.979) 6.543 12.278 ( -0.925 -5.818 3.143) 6.677 12.649 ( 1.486 -6.044 4.585) 7.731 13.056 ( 4.683 11.066 -0.202) 12.017 13.533 ( 2.060 9.017 0.519) 9.264 14.293 ( -0.373 20.290 1.110) 20.324 16.402 ( 5.437 -27.784 5.380) 28.818 20.182 ( 2.030 1.462 2.323) 3.414 20.450 ( 1.270 -1.493 1.177) 2.286 20.818 ( -1.043 -0.809 -0.950) 1.627 20.957 ( -1.241 -1.145 1.506) 2.262 21.210 ( 3.480 6.516 2.836) 7.913 21.462 ( -2.994 3.960 -7.499) 8.993 22.112 ( 0.060 7.932 -1.583) 8.089 22.643 ( -8.221 -14.820 -1.188) 16.990 ======================= Grid point 322 (160/170) ======================= q-point: ( 0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( -0.000 -3.255 0.000) 3.255 1.465 ( -0.000 6.046 -0.000) 6.046 1.622 ( -0.000 6.564 0.000) 6.564 1.910 ( -0.000 6.591 0.000) 6.591 2.037 ( 0.000 8.219 0.000) 8.219 2.143 ( -0.000 -2.552 0.000) 2.552 2.514 ( 0.000 -8.622 -0.000) 8.622 2.527 ( -0.000 6.429 0.000) 6.429 2.673 ( 0.000 4.273 0.000) 4.273 3.003 ( -0.000 -4.755 0.000) 4.755 3.123 ( -0.000 -7.079 0.000) 7.079 3.167 ( 0.000 1.063 -0.000) 1.063 3.422 ( -0.000 5.093 -0.000) 5.093 3.482 ( -0.000 7.660 0.000) 7.660 3.776 ( -0.000 1.263 0.000) 1.263 4.140 ( 0.000 5.763 0.000) 5.763 4.172 ( 0.000 3.125 -0.000) 3.125 4.264 ( 0.000 12.946 -0.000) 12.946 4.452 ( -0.000 17.121 -0.000) 17.121 4.752 ( -0.000 1.069 0.000) 1.069 5.005 ( 0.000 8.007 -0.000) 8.007 5.012 ( -0.000 10.618 0.000) 10.618 5.253 ( 0.000 8.771 -0.000) 8.771 5.623 ( -0.000 8.306 -0.000) 8.306 5.773 ( -0.000 -5.154 0.000) 5.154 6.076 ( -0.000 16.893 -0.000) 16.893 6.173 ( -0.000 -0.825 0.000) 0.825 6.407 ( -0.000 1.413 0.000) 1.413 6.578 ( -0.000 2.687 -0.000) 2.687 7.010 ( -0.000 -2.675 0.000) 2.675 7.620 ( 0.000 -6.259 0.000) 6.259 7.647 ( -0.000 -9.571 -0.000) 9.571 8.195 ( -0.000 -4.449 0.000) 4.449 8.833 ( 0.000 -1.417 0.000) 1.417 9.301 ( 0.000 -9.897 -0.000) 9.897 9.471 ( -0.000 0.345 0.000) 0.345 9.702 ( -0.000 -13.849 -0.000) 13.849 9.775 ( -0.000 3.352 0.000) 3.352 11.835 ( -0.000 2.751 0.000) 2.751 12.081 ( -0.000 -4.824 0.000) 4.824 12.286 ( 0.000 -6.518 0.000) 6.518 12.685 ( -0.000 -5.798 0.000) 5.798 13.098 ( -0.000 11.070 -0.000) 11.070 13.550 ( 0.000 10.876 0.000) 10.876 14.295 ( -0.000 19.410 0.000) 19.410 16.477 ( -0.000 -30.088 0.000) 30.088 20.213 ( -0.000 1.425 -0.000) 1.425 20.466 ( -0.000 -0.332 0.000) 0.332 20.803 ( -0.000 -1.259 0.000) 1.259 20.953 ( -0.000 -1.048 -0.000) 1.048 21.323 ( -0.000 10.656 -0.000) 10.656 21.323 ( 0.000 2.560 0.000) 2.560 22.118 ( -0.000 8.066 -0.000) 8.066 22.557 ( 0.000 -17.440 0.000) 17.440 ======================= Grid point 327 (161/170) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( -0.000 -1.891 0.000) 1.891 1.279 ( -0.000 -8.166 0.000) 8.166 1.871 ( -0.000 1.997 -0.000) 1.997 1.873 ( 0.000 1.730 0.000) 1.730 2.117 ( 0.000 8.883 0.000) 8.883 2.123 ( -0.000 8.915 -0.000) 8.915 2.398 ( -0.000 1.466 -0.000) 1.466 2.398 ( 0.000 4.751 0.000) 4.751 2.672 ( -0.000 -0.950 0.000) 0.950 2.784 ( -0.000 -0.741 -0.000) 0.741 3.022 ( -0.000 -0.099 0.000) 0.099 3.187 ( 0.000 -7.179 0.000) 7.179 3.490 ( 0.000 3.944 0.000) 3.944 3.609 ( -0.000 2.202 0.000) 2.202 3.978 ( -0.000 -1.559 0.000) 1.559 4.036 ( 0.000 1.155 0.000) 1.155 4.377 ( -0.000 8.249 -0.000) 8.249 4.470 ( 0.000 4.659 0.000) 4.659 4.723 ( 0.000 5.666 0.000) 5.666 4.813 ( -0.000 14.387 0.000) 14.387 5.095 ( -0.000 -6.046 0.000) 6.046 5.148 ( 0.000 4.683 0.000) 4.683 5.335 ( -0.000 -0.902 0.000) 0.902 5.376 ( 0.000 -1.410 0.000) 1.410 5.902 ( -0.000 10.330 0.000) 10.330 6.250 ( 0.000 -11.809 0.000) 11.809 6.738 ( -0.000 6.741 0.000) 6.741 6.867 ( -0.000 5.475 0.000) 5.475 7.192 ( -0.000 1.667 -0.000) 1.667 7.270 ( 0.000 7.311 0.000) 7.311 7.383 ( -0.000 0.777 0.000) 0.777 7.894 ( -0.000 -6.192 -0.000) 6.192 8.350 ( 0.000 2.224 0.000) 2.224 8.512 ( 0.000 -14.143 -0.000) 14.143 9.175 ( 0.000 0.677 0.000) 0.677 9.378 ( -0.000 -6.672 -0.000) 6.672 10.211 ( -0.000 4.009 -0.000) 4.009 10.248 ( 0.000 1.571 0.000) 1.571 11.795 ( -0.000 0.381 -0.000) 0.381 11.845 ( 0.000 1.702 0.000) 1.702 12.160 ( 0.000 -0.557 0.000) 0.557 12.340 ( -0.000 -6.528 0.000) 6.528 13.023 ( 0.000 5.019 0.000) 5.019 13.198 ( -0.000 -3.275 0.000) 3.275 14.810 ( 0.000 25.190 0.000) 25.190 15.666 ( -0.000 -16.422 0.000) 16.422 20.075 ( 0.000 2.350 0.000) 2.350 20.224 ( -0.000 -5.011 0.000) 5.011 20.870 ( -0.000 1.185 0.000) 1.185 20.960 ( -0.000 -2.396 0.000) 2.396 21.231 ( 0.000 4.084 0.000) 4.084 21.371 ( 0.000 -3.642 0.000) 3.642 22.620 ( -0.000 7.109 0.000) 7.109 22.825 ( -0.000 -6.427 0.000) 6.427 ======================= Grid point 329 (162/170) ======================= q-point: ( 0.12 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 5.068 0.166 2.578) 5.689 1.379 ( 7.568 -7.614 2.909) 11.123 1.824 ( -1.251 5.287 -3.837) 6.652 1.897 ( 2.902 1.663 -2.360) 4.093 2.069 ( -0.370 5.393 -2.156) 5.820 2.218 ( 4.780 6.323 3.943) 8.853 2.423 ( 4.964 3.971 -1.404) 6.510 2.492 ( 5.715 1.719 -0.018) 5.968 2.633 ( 0.056 1.345 -4.478) 4.676 2.785 ( -0.365 -2.434 -0.315) 2.481 3.012 ( -0.279 1.982 1.027) 2.250 3.235 ( 1.044 -7.634 4.884) 9.122 3.435 ( -3.260 5.729 -0.888) 6.651 3.649 ( 3.198 -0.474 0.014) 3.233 3.996 ( 3.046 1.214 -1.255) 3.511 4.102 ( 4.879 2.041 1.318) 5.451 4.310 ( -4.015 8.555 -4.791) 10.595 4.450 ( -1.827 4.329 -1.910) 5.073 4.714 ( -0.312 5.108 -0.530) 5.145 4.805 ( -0.251 12.507 0.030) 12.510 5.040 ( -0.663 -4.290 -4.728) 6.419 5.218 ( 1.794 0.411 5.486) 5.786 5.291 ( -3.332 1.220 1.639) 3.909 5.426 ( 4.746 0.556 -1.032) 4.889 5.874 ( -2.906 8.767 -0.754) 9.267 6.207 ( -2.399 -10.244 -2.731) 10.870 6.728 ( -1.237 6.981 -2.890) 7.656 6.808 ( -3.817 6.491 -3.027) 8.116 7.067 ( -7.531 2.107 -8.068) 11.236 7.265 ( -5.962 -5.442 -7.931) 11.317 7.364 ( 3.038 11.568 3.653) 12.506 7.823 ( -4.207 -4.860 -4.298) 7.733 8.384 ( 3.713 -1.971 -1.028) 4.328 8.561 ( 5.501 -13.912 -1.347) 15.020 9.088 ( -4.685 3.738 -6.606) 8.920 9.413 ( -0.474 -8.499 5.043) 9.894 10.082 ( -10.040 5.774 -2.618) 11.874 10.226 ( -6.243 -0.766 2.130) 6.641 11.795 ( 0.303 2.093 0.581) 2.193 11.873 ( 2.045 0.201 1.229) 2.394 12.175 ( -0.437 -0.989 3.599) 3.758 12.361 ( 0.073 -7.012 4.426) 8.293 13.055 ( 4.069 7.276 1.087) 8.407 13.301 ( 9.493 -3.662 0.628) 10.195 14.805 ( -1.649 25.242 2.111) 25.384 15.693 ( 2.328 -18.152 1.481) 18.360 20.101 ( 1.789 2.633 2.034) 3.778 20.254 ( 2.334 -4.678 1.985) 5.592 20.869 ( 0.274 1.005 -1.097) 1.513 20.948 ( -1.719 -2.357 0.953) 3.069 21.237 ( 0.606 4.615 0.528) 4.685 21.401 ( 3.571 -4.054 -0.629) 5.438 22.541 ( -6.115 7.205 -4.579) 10.501 22.769 ( -5.574 -6.846 -1.838) 9.017 ======================= Grid point 330 (163/170) ======================= q-point: ( 0.25 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 3.466 2.267 1.505) 4.406 1.513 ( 4.982 -5.352 0.897) 7.366 1.781 ( 0.134 7.072 -2.923) 7.654 1.937 ( 4.762 2.072 -3.497) 6.261 2.062 ( 1.791 2.538 -2.618) 4.062 2.324 ( 3.119 2.075 2.596) 4.558 2.413 ( -4.342 0.041 -4.796) 6.470 2.551 ( 4.258 3.348 -3.265) 6.325 2.673 ( 6.579 2.453 -2.968) 7.623 2.775 ( 1.717 -3.739 -1.721) 4.460 3.046 ( 0.862 2.344 3.875) 4.611 3.258 ( -2.858 -6.513 2.326) 7.483 3.416 ( 1.232 8.448 1.203) 8.622 3.692 ( 1.449 -1.254 -1.661) 2.536 4.028 ( 2.131 2.254 -5.574) 6.379 4.095 ( -3.570 4.357 -3.615) 6.693 4.252 ( 1.894 8.396 -2.557) 8.979 4.421 ( 2.082 5.414 -0.566) 5.828 4.716 ( 0.247 4.438 1.185) 4.600 4.820 ( 0.427 9.712 1.913) 9.908 5.013 ( 2.097 -4.171 -3.262) 5.695 5.233 ( -3.881 -2.436 4.807) 6.641 5.334 ( 3.460 8.188 3.315) 9.487 5.513 ( 5.352 2.009 1.805) 5.995 5.806 ( -2.150 5.085 -2.661) 6.128 6.155 ( -0.384 -9.220 -2.499) 9.561 6.595 ( -6.893 8.858 -7.313) 13.397 6.714 ( -4.255 2.958 -8.378) 9.851 6.835 ( -7.248 6.247 -8.913) 13.077 7.065 ( -6.612 -2.015 -7.413) 10.136 7.436 ( -1.795 5.088 7.349) 9.117 7.719 ( -2.821 -4.828 -4.403) 7.117 8.408 ( 1.486 -3.499 -8.432) 9.249 8.630 ( 5.684 -14.544 -4.556) 16.266 8.978 ( -0.372 5.079 -3.068) 5.946 9.418 ( -4.941 -12.074 5.510) 14.162 9.868 ( -11.445 7.549 -1.942) 13.847 10.095 ( -9.914 -1.312 1.561) 10.122 11.823 ( 1.302 2.853 2.303) 3.891 11.926 ( 3.310 -1.811 -0.208) 3.778 12.201 ( -1.227 -0.262 5.127) 5.279 12.422 ( 1.038 -7.668 6.464) 10.083 13.171 ( 7.378 9.960 1.022) 12.437 13.473 ( 8.794 -3.193 0.945) 9.403 14.793 ( -2.255 25.493 2.659) 25.730 15.765 ( 3.376 -22.431 2.810) 22.857 20.166 ( 2.792 3.301 3.023) 5.276 20.330 ( 3.295 -3.858 3.187) 5.991 20.853 ( -0.744 0.830 -1.800) 2.117 20.928 ( -1.776 -2.402 1.354) 3.280 21.267 ( 2.258 5.354 0.787) 5.864 21.465 ( 4.430 -4.012 -1.332) 6.124 22.363 ( -7.959 6.598 -5.668) 11.790 22.611 ( -9.466 -7.529 -3.573) 12.612 ======================= Grid point 331 (164/170) ======================= q-point: ( 0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 1.006 3.079 -1.030) 3.399 1.536 ( -1.230 -4.689 -3.188) 5.802 1.786 ( 2.770 9.628 -0.777) 10.049 1.985 ( 3.050 3.369 -1.094) 4.674 2.076 ( 2.397 -0.278 -2.152) 3.233 2.270 ( -6.434 1.087 -4.301) 7.815 2.365 ( 0.625 -1.244 0.123) 1.397 2.541 ( -0.086 -1.509 -2.756) 3.143 2.738 ( 2.310 1.905 -1.129) 3.200 2.850 ( 8.008 -4.029 -2.709) 9.365 3.069 ( -1.888 0.922 1.195) 2.418 3.185 ( -5.147 -3.588 -0.270) 6.280 3.474 ( 2.297 6.544 2.191) 7.274 3.643 ( -2.656 -1.118 -4.722) 5.532 3.930 ( -2.493 8.009 -3.379) 9.043 4.132 ( 5.116 0.437 2.108) 5.550 4.270 ( 3.080 8.033 -3.716) 9.372 4.464 ( 1.426 6.134 -0.569) 6.324 4.735 ( 0.654 6.564 0.508) 6.616 4.823 ( -3.368 7.515 3.547) 8.966 5.064 ( 7.681 -0.590 -4.735) 9.042 5.197 ( -4.815 1.541 3.591) 6.201 5.407 ( 1.192 9.667 3.593) 10.382 5.636 ( 4.258 0.968 4.700) 6.416 5.780 ( 1.888 4.192 -2.915) 5.443 6.145 ( 0.312 -6.694 -0.782) 6.747 6.430 ( -3.777 8.556 -6.365) 11.313 6.518 ( -5.063 1.145 -8.811) 10.226 6.715 ( -2.272 8.630 -3.063) 9.435 6.939 ( -2.983 -3.742 -2.019) 5.194 7.434 ( -3.942 0.644 5.960) 7.174 7.635 ( -4.433 -6.843 -3.287) 8.791 8.264 ( -2.187 1.989 -14.484) 14.783 8.712 ( 5.867 -12.082 -0.377) 13.437 9.017 ( 5.981 -1.476 -1.947) 6.461 9.327 ( -12.181 -16.493 5.649) 21.267 9.724 ( -1.855 9.820 -1.175) 10.062 9.941 ( -9.099 0.019 0.924) 9.146 11.868 ( 1.266 2.373 1.918) 3.303 11.973 ( 2.548 -3.352 -0.853) 4.296 12.224 ( -1.052 1.428 3.885) 4.271 12.496 ( 1.170 -8.387 4.527) 9.603 13.291 ( 5.061 11.172 0.496) 12.275 13.597 ( 4.691 -1.902 0.641) 5.102 14.780 ( -1.478 25.819 1.686) 25.916 15.841 ( 2.314 -26.693 2.401) 26.900 20.238 ( 2.347 3.940 2.386) 5.170 20.408 ( 2.317 -2.868 2.631) 4.529 20.817 ( -1.351 0.888 -1.235) 2.035 20.913 ( -0.941 -2.831 0.506) 3.026 21.327 ( 3.489 5.172 1.345) 6.382 21.504 ( 1.567 -0.709 -2.411) 2.961 22.219 ( -3.068 3.121 -2.567) 5.073 22.407 ( -9.649 -7.536 -3.705) 12.791 ======================= Grid point 332 (165/170) ======================= q-point: ( 0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( -0.000 2.742 0.000) 2.742 1.486 ( -0.000 -2.806 -0.000) 2.806 1.822 ( -0.000 10.151 0.000) 10.151 2.012 ( -0.000 3.616 -0.000) 3.616 2.101 ( -0.000 -0.933 -0.000) 0.933 2.164 ( 0.000 0.074 0.000) 0.074 2.365 ( -0.000 -2.146 0.000) 2.146 2.534 ( 0.000 -4.252 -0.000) 4.252 2.753 ( -0.000 3.286 0.000) 3.286 2.903 ( 0.000 -4.769 0.000) 4.769 3.048 ( -0.000 -0.153 0.000) 0.153 3.135 ( 0.000 -2.872 -0.000) 2.872 3.505 ( -0.000 2.873 0.000) 2.873 3.585 ( -0.000 0.142 0.000) 0.142 3.907 ( -0.000 11.726 0.000) 11.726 4.207 ( 0.000 0.540 0.000) 0.540 4.282 ( -0.000 6.951 0.000) 6.951 4.458 ( -0.000 4.066 0.000) 4.066 4.747 ( -0.000 11.117 -0.000) 11.117 4.795 ( -0.000 4.323 0.000) 4.323 5.143 ( -0.000 1.972 -0.000) 1.972 5.146 ( 0.000 1.478 0.000) 1.478 5.436 ( -0.000 10.930 -0.000) 10.930 5.695 ( -0.000 -2.493 0.000) 2.493 5.793 ( 0.000 8.967 0.000) 8.967 6.141 ( -0.000 -3.413 0.000) 3.413 6.370 ( -0.000 8.502 -0.000) 8.502 6.435 ( -0.000 1.199 0.000) 1.199 6.681 ( -0.000 7.490 -0.000) 7.490 6.913 ( -0.000 -5.826 0.000) 5.826 7.488 ( 0.000 -5.425 0.000) 5.425 7.497 ( -0.000 -5.042 -0.000) 5.042 8.174 ( -0.000 4.722 0.000) 4.722 8.769 ( 0.000 -8.117 0.000) 8.117 9.139 ( 0.000 -5.998 -0.000) 5.998 9.150 ( -0.000 -16.124 0.000) 16.124 9.745 ( -0.000 6.505 0.000) 6.505 9.836 ( 0.000 1.987 0.000) 1.987 11.889 ( -0.000 2.016 0.000) 2.016 11.991 ( -0.000 -3.822 0.000) 3.822 12.233 ( -0.000 2.190 0.000) 2.190 12.529 ( -0.000 -8.763 0.000) 8.763 13.338 ( -0.000 11.466 -0.000) 11.466 13.640 ( -0.000 -1.206 0.000) 1.206 14.775 ( -0.000 25.946 0.000) 25.946 15.874 ( -0.000 -28.416 0.000) 28.416 20.272 ( -0.000 4.200 -0.000) 4.200 20.442 ( -0.000 -2.315 0.000) 2.315 20.798 ( -0.000 0.891 0.000) 0.891 20.907 ( -0.000 -3.159 -0.000) 3.159 21.380 ( -0.000 3.482 0.000) 3.482 21.489 ( -0.000 3.934 0.000) 3.934 22.220 ( -0.000 1.611 -0.000) 1.611 22.264 ( 0.000 -9.058 0.000) 9.058 ======================= Grid point 337 (166/170) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( -0.000 -5.758 0.000) 5.758 1.122 ( -0.000 5.758 0.000) 5.758 1.889 ( 0.000 -0.113 0.000) 0.113 1.889 ( 0.000 0.113 0.000) 0.113 2.220 ( 0.000 -0.516 0.000) 0.516 2.220 ( -0.000 0.516 0.000) 0.516 2.433 ( -0.000 -1.483 0.000) 1.483 2.433 ( 0.000 1.483 0.000) 1.483 2.720 ( -0.000 -4.890 0.000) 4.890 2.720 ( -0.000 4.890 0.000) 4.890 3.055 ( -0.000 -4.135 0.000) 4.135 3.055 ( 0.000 4.135 0.000) 4.135 3.573 ( -0.000 -3.865 0.000) 3.865 3.573 ( -0.000 3.865 0.000) 3.865 4.018 ( 0.000 -2.779 0.000) 2.779 4.018 ( 0.000 2.779 0.000) 2.779 4.487 ( 0.000 -2.361 0.000) 2.361 4.487 ( -0.000 2.361 0.000) 2.361 4.882 ( -0.000 -8.374 0.000) 8.374 4.882 ( 0.000 8.374 0.000) 8.374 5.108 ( -0.000 -8.818 0.000) 8.818 5.108 ( 0.000 8.818 0.000) 8.818 5.356 ( 0.000 -2.648 0.000) 2.648 5.356 ( -0.000 2.648 0.000) 2.648 6.055 ( 0.000 -6.896 0.000) 6.896 6.055 ( 0.000 6.896 0.000) 6.896 6.871 ( 0.000 -4.860 0.000) 4.860 6.871 ( -0.000 4.860 0.000) 4.860 7.214 ( 0.000 -2.145 0.000) 2.145 7.214 ( -0.000 2.145 0.000) 2.145 7.674 ( 0.000 -15.421 0.000) 15.421 7.674 ( -0.000 15.421 0.000) 15.421 8.367 ( 0.000 -0.940 0.000) 0.940 8.367 ( 0.000 0.940 0.000) 0.940 9.240 ( 0.000 -5.779 0.000) 5.779 9.240 ( -0.000 5.779 0.000) 5.779 10.260 ( -0.000 -0.779 0.000) 0.779 10.260 ( -0.000 0.779 0.000) 0.779 11.836 ( 0.000 -2.358 0.000) 2.358 11.836 ( -0.000 2.358 0.000) 2.358 12.213 ( -0.000 -5.302 0.000) 5.302 12.213 ( 0.000 5.302 0.000) 5.302 13.116 ( -0.000 -4.353 0.000) 4.353 13.116 ( -0.000 4.353 0.000) 4.353 15.286 ( -0.000 -21.005 0.000) 21.005 15.286 ( -0.000 21.005 0.000) 21.005 20.136 ( 0.000 -3.618 0.000) 3.618 20.136 ( 0.000 3.618 0.000) 3.618 20.908 ( -0.000 -2.398 0.000) 2.398 20.908 ( -0.000 2.398 0.000) 2.398 21.304 ( 0.000 -3.137 0.000) 3.137 21.304 ( -0.000 3.137 0.000) 3.137 22.725 ( 0.000 -4.101 0.000) 4.101 22.725 ( -0.000 4.101 0.000) 4.101 ======================= Grid point 341 (167/170) ======================= q-point: ( 0.12 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( 6.792 -6.812 4.056) 10.440 1.215 ( 6.792 6.812 4.056) 10.440 1.894 ( 2.242 -1.880 -2.967) 4.167 1.894 ( 2.242 1.880 -2.967) 4.167 2.204 ( -1.423 -5.945 0.522) 6.136 2.204 ( -1.423 5.945 0.522) 6.136 2.495 ( 5.896 -2.679 -1.536) 6.656 2.495 ( 5.896 2.679 -1.536) 6.656 2.706 ( 1.028 -5.043 -3.820) 6.410 2.706 ( 1.028 5.043 -3.820) 6.410 3.086 ( -0.225 -5.752 5.735) 8.125 3.086 ( -0.225 5.752 5.735) 8.125 3.562 ( 0.040 -6.196 -0.125) 6.197 3.562 ( 0.040 6.196 -0.125) 6.197 4.079 ( 5.751 -4.172 -0.503) 7.122 4.079 ( 5.751 4.172 -0.503) 7.122 4.444 ( -2.922 -3.952 -3.219) 5.875 4.444 ( -2.922 3.952 -3.219) 5.875 4.849 ( -1.114 -7.060 -3.042) 7.768 4.849 ( -1.114 7.060 -3.042) 7.768 5.096 ( -2.745 -9.206 3.236) 10.137 5.096 ( -2.745 9.206 3.236) 10.137 5.397 ( 4.772 -4.171 -0.343) 6.347 5.397 ( 4.772 4.171 -0.343) 6.347 6.023 ( -3.215 -7.364 -0.711) 8.067 6.023 ( -3.215 7.364 -0.711) 8.067 6.834 ( -2.949 -3.507 -3.462) 5.743 6.834 ( -2.949 3.507 -3.462) 5.743 7.140 ( -4.044 -5.394 -7.394) 10.006 7.140 ( -4.044 5.394 -7.394) 10.006 7.650 ( -1.616 -12.759 -1.766) 12.982 7.650 ( -1.616 12.759 -1.766) 12.982 8.382 ( 2.066 -3.781 -0.607) 4.351 8.382 ( 2.066 3.781 -0.607) 4.351 9.222 ( -2.085 -8.966 -0.664) 9.229 9.222 ( -2.085 8.966 -0.664) 9.229 10.182 ( -7.592 -3.628 -1.235) 8.504 10.182 ( -7.592 3.628 -1.235) 8.504 11.851 ( 0.697 -2.717 1.446) 3.156 11.851 ( 0.697 2.717 1.446) 3.156 12.225 ( -0.451 -5.541 4.001) 6.849 12.225 ( -0.451 5.541 4.001) 6.849 13.194 ( 7.657 -6.309 1.102) 9.982 13.194 ( 7.657 6.309 1.102) 9.982 15.289 ( -0.444 -21.712 1.419) 21.763 15.289 ( -0.444 21.712 1.419) 21.763 20.167 ( 2.355 -3.813 2.177) 4.982 20.167 ( 2.355 3.813 2.177) 4.982 20.901 ( -0.647 -2.073 -0.311) 2.193 20.901 ( -0.647 2.073 -0.311) 2.193 21.322 ( 1.984 -3.814 0.137) 4.301 21.322 ( 1.984 3.814 0.137) 4.301 22.657 ( -5.889 -4.832 -3.434) 8.356 22.657 ( -5.889 4.832 -3.434) 8.356 ======================= Grid point 343 (168/170) ======================= q-point: ( 0.25 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 4.437 -7.777 2.238) 9.229 1.352 ( 4.437 7.777 2.238) 9.229 1.915 ( 3.209 -4.244 -2.327) 5.808 1.915 ( 3.209 4.244 -2.327) 5.808 2.185 ( -1.402 -8.784 -0.111) 8.896 2.185 ( -1.402 8.784 -0.111) 8.896 2.528 ( 1.246 -5.451 -6.286) 8.414 2.528 ( 1.246 5.451 -6.286) 8.414 2.720 ( 4.944 -2.236 -3.117) 6.257 2.720 ( 4.944 2.236 -3.117) 6.257 3.122 ( -2.549 -5.604 6.227) 8.757 3.122 ( -2.549 5.604 6.227) 8.757 3.592 ( 2.749 -7.612 -0.509) 8.109 3.592 ( 2.749 7.612 -0.509) 8.109 4.106 ( -1.443 -3.375 -4.082) 5.490 4.106 ( -1.443 3.375 -4.082) 5.490 4.400 ( 3.453 -5.671 -3.510) 7.510 4.400 ( 3.453 5.671 -3.510) 7.510 4.837 ( 2.426 -7.446 -1.259) 7.932 4.837 ( 2.426 7.446 -1.259) 7.932 5.088 ( -2.531 -9.922 5.521) 11.633 5.088 ( -2.531 9.922 5.521) 11.633 5.495 ( 5.255 -4.863 1.681) 7.355 5.495 ( 5.255 4.863 1.681) 7.355 5.956 ( -2.096 -9.532 -1.672) 9.902 5.956 ( -2.096 9.532 -1.672) 9.902 6.694 ( -6.440 -3.018 -8.829) 11.337 6.694 ( -6.440 3.018 -8.829) 11.337 6.986 ( -4.821 -5.874 -7.398) 10.605 6.986 ( -4.821 5.874 -7.398) 10.605 7.596 ( -3.725 -7.891 -0.425) 8.736 7.596 ( -3.725 7.891 -0.425) 8.736 8.415 ( 3.921 -5.587 -4.300) 8.067 8.415 ( 3.921 5.587 -4.300) 8.067 9.155 ( -4.778 -11.727 -0.282) 12.667 9.155 ( -4.778 11.727 -0.282) 12.667 10.020 ( -9.249 -6.025 -0.594) 11.055 10.020 ( -9.249 6.025 -0.594) 11.055 11.881 ( 1.359 -2.775 1.184) 3.308 11.881 ( 1.359 2.775 1.184) 3.308 12.272 ( 0.229 -6.401 6.006) 8.781 12.272 ( 0.229 6.401 6.006) 8.781 13.356 ( 8.810 -7.765 1.342) 11.819 13.356 ( 8.810 7.765 1.342) 11.819 15.297 ( -0.482 -23.636 2.148) 23.738 15.297 ( -0.482 23.636 2.148) 23.738 20.246 ( 3.439 -4.250 3.373) 6.424 20.246 ( 3.439 4.250 3.373) 6.424 20.881 ( -1.147 -1.948 -0.563) 2.329 20.881 ( -1.147 1.948 -0.563) 2.329 21.371 ( 3.441 -4.921 0.145) 6.007 21.371 ( 3.441 4.921 0.145) 6.007 22.483 ( -8.997 -5.649 -5.075) 11.773 22.483 ( -8.997 5.649 -5.075) 11.773 ======================= Grid point 345 (169/170) ======================= q-point: ( 0.38 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 0.488 -7.482 -1.361) 7.621 1.393 ( 0.488 7.482 -1.361) 7.621 1.962 ( 3.099 -5.907 0.420) 6.683 1.962 ( 3.099 5.907 0.420) 6.683 2.142 ( -2.827 -6.835 -1.345) 7.518 2.142 ( -2.827 6.835 -1.345) 7.518 2.464 ( -1.125 -5.452 -5.013) 7.491 2.464 ( -1.125 5.452 -5.013) 7.491 2.787 ( 5.364 -2.717 -3.522) 6.968 2.787 ( 5.364 2.717 -3.522) 6.968 3.106 ( -4.156 -3.070 3.501) 6.241 3.106 ( -4.156 3.070 3.500) 6.241 3.587 ( -1.061 -4.215 -3.460) 5.555 3.587 ( -1.061 4.215 -3.460) 5.555 4.081 ( 1.975 -5.707 1.516) 6.226 4.081 ( 1.975 5.707 1.516) 6.226 4.432 ( 3.079 -6.887 -4.920) 9.007 4.432 ( 3.079 6.887 -4.920) 9.007 4.875 ( 1.298 -6.153 0.248) 6.294 4.875 ( 1.298 6.153 0.248) 6.294 5.110 ( -0.359 -7.299 3.590) 8.142 5.110 ( -0.359 7.299 3.590) 8.142 5.586 ( 2.562 -5.962 3.034) 7.163 5.586 ( 2.562 5.962 3.034) 7.163 5.958 ( 3.046 -10.919 0.049) 11.336 5.958 ( 3.046 10.919 0.049) 11.336 6.513 ( -4.062 -1.561 -7.639) 8.792 6.513 ( -4.062 1.561 -7.639) 8.792 6.860 ( -4.050 -4.537 -3.141) 6.845 6.860 ( -4.050 4.537 -3.141) 6.845 7.507 ( -5.584 -5.476 -1.028) 7.888 7.507 ( -5.584 5.476 -1.028) 7.888 8.429 ( 3.772 -13.431 -6.563) 15.418 8.429 ( 3.772 13.432 -6.563) 15.418 9.079 ( -4.540 -7.404 2.251) 8.972 9.079 ( -4.540 7.404 2.251) 8.972 9.886 ( -5.541 -5.485 -0.210) 7.799 9.886 ( -5.541 5.485 -0.210) 7.799 11.913 ( 1.300 -2.474 0.555) 2.849 11.913 ( 1.300 2.474 0.555) 2.849 12.327 ( 0.317 -7.572 4.289) 8.708 12.327 ( 0.317 7.572 4.289) 8.708 13.490 ( 5.301 -7.968 0.824) 9.606 13.490 ( 5.301 7.968 0.824) 9.606 15.309 ( -0.264 -25.756 1.608) 25.808 15.309 ( -0.264 25.756 1.608) 25.808 20.330 ( 2.645 -4.580 2.759) 5.965 20.330 ( 2.645 4.580 2.759) 5.965 20.854 ( -1.127 -2.599 -0.674) 2.912 20.854 ( -1.127 2.600 -0.674) 2.912 21.434 ( 3.325 -5.140 0.200) 6.125 21.434 ( 3.325 5.140 0.200) 6.125 22.294 ( -7.253 -4.584 -3.851) 9.405 22.294 ( -7.253 4.584 -3.851) 9.405 ======================= Grid point 347 (170/170) ======================= q-point: ( 0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( -0.000 -6.262 -0.000) 6.262 1.382 ( -0.000 6.262 0.000) 6.262 2.005 ( -0.000 -6.976 0.000) 6.976 2.005 ( -0.000 6.976 0.000) 6.976 2.095 ( -0.000 -0.487 0.000) 0.487 2.095 ( -0.000 0.487 0.000) 0.487 2.429 ( -0.000 -5.082 0.000) 5.082 2.429 ( -0.000 5.082 0.000) 5.082 2.818 ( -0.000 -3.478 0.000) 3.478 2.818 ( -0.000 3.478 0.000) 3.478 3.078 ( -0.000 -2.412 0.000) 2.412 3.078 ( -0.000 2.412 0.000) 2.412 3.553 ( -0.000 -2.160 0.000) 2.160 3.553 ( -0.000 2.160 -0.000) 2.160 4.130 ( -0.000 -8.095 0.000) 8.095 4.130 ( -0.000 8.095 0.000) 8.095 4.425 ( -0.000 -5.759 0.000) 5.759 4.425 ( -0.000 5.759 0.000) 5.759 4.882 ( -0.000 -0.058 0.000) 0.058 4.882 ( -0.000 0.058 -0.000) 0.058 5.124 ( -0.000 -0.190 0.000) 0.190 5.124 ( -0.000 0.190 0.000) 0.190 5.625 ( -0.000 -5.829 0.000) 5.829 5.625 ( -0.000 5.829 0.000) 5.829 6.000 ( -0.000 -10.076 0.000) 10.076 6.000 ( -0.000 10.076 0.000) 10.076 6.444 ( -0.000 -0.715 0.000) 0.715 6.444 ( -0.000 0.715 0.000) 0.715 6.808 ( -0.000 -4.583 0.000) 4.583 6.808 ( -0.000 4.583 0.000) 4.583 7.438 ( -0.000 -0.455 0.000) 0.455 7.438 ( -0.000 0.455 0.000) 0.455 8.432 ( -0.000 -19.018 0.000) 19.018 8.432 ( -0.000 19.018 0.000) 19.018 9.050 ( -0.000 -2.278 0.000) 2.278 9.050 ( -0.000 2.278 0.000) 2.278 9.837 ( -0.000 -2.176 0.000) 2.176 9.837 ( -0.000 2.176 0.000) 2.176 11.928 ( -0.000 -2.306 0.000) 2.306 11.928 ( -0.000 2.306 0.000) 2.306 12.350 ( -0.000 -8.119 0.000) 8.119 12.350 ( -0.000 8.119 0.000) 8.119 13.541 ( -0.000 -7.912 0.000) 7.912 13.541 ( -0.000 7.912 0.000) 7.912 15.314 ( -0.000 -26.663 0.000) 26.663 15.314 ( -0.000 26.663 0.000) 26.663 20.368 ( -0.000 -4.649 0.000) 4.649 20.368 ( -0.000 4.649 -0.000) 4.649 20.840 ( -0.000 -3.005 0.000) 3.005 20.840 ( -0.000 3.005 0.000) 3.005 21.467 ( -0.000 -4.350 0.000) 4.350 21.467 ( -0.000 4.350 -0.000) 4.350 22.207 ( -0.000 -1.365 0.000) 1.365 22.207 ( -0.000 1.365 0.000) 1.365 =================== 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 3/27648 10.0 135.705 51.017 110.452 0.000 -28.208 0.000 3/27648 20.0 22.277 12.828 17.541 0.000 -2.894 0.000 3/27648 30.0 10.154 6.582 7.898 0.000 -1.072 0.000 3/27648 40.0 6.261 4.304 4.860 0.000 -0.618 0.000 3/27648 50.0 4.457 3.199 3.471 0.000 -0.428 0.000 3/27648 60.0 3.449 2.568 2.702 0.000 -0.322 0.000 3/27648 70.0 2.818 2.165 2.224 0.000 -0.254 0.000 3/27648 80.0 2.390 1.887 1.900 0.000 -0.207 0.000 3/27648 90.0 2.083 1.684 1.667 0.000 -0.173 0.000 3/27648 100.0 1.852 1.530 1.491 0.000 -0.148 0.000 3/27648 110.0 1.672 1.408 1.354 0.000 -0.129 0.000 3/27648 120.0 1.528 1.310 1.243 0.000 -0.114 0.000 3/27648 130.0 1.409 1.229 1.151 0.000 -0.102 0.000 3/27648 140.0 1.310 1.160 1.074 0.000 -0.093 0.000 3/27648 150.0 1.225 1.101 1.007 0.000 -0.085 0.000 3/27648 160.0 1.152 1.049 0.950 0.000 -0.079 0.000 3/27648 170.0 1.088 1.004 0.899 0.000 -0.073 0.000 3/27648 180.0 1.032 0.963 0.855 0.000 -0.069 0.000 3/27648 190.0 0.981 0.926 0.815 0.000 -0.065 0.000 3/27648 200.0 0.936 0.893 0.779 0.000 -0.062 0.000 3/27648 210.0 0.895 0.862 0.746 0.000 -0.059 0.000 3/27648 220.0 0.858 0.833 0.716 0.000 -0.056 0.000 3/27648 230.0 0.823 0.807 0.689 0.000 -0.054 0.000 3/27648 240.0 0.792 0.782 0.664 0.000 -0.052 0.000 3/27648 250.0 0.763 0.759 0.641 0.000 -0.050 0.000 3/27648 260.0 0.736 0.737 0.619 0.000 -0.048 0.000 3/27648 270.0 0.711 0.716 0.599 0.000 -0.046 0.000 3/27648 280.0 0.688 0.697 0.580 0.000 -0.045 0.000 3/27648 290.0 0.666 0.678 0.562 0.000 -0.044 0.000 3/27648 300.0 0.646 0.661 0.546 0.000 -0.042 0.000 3/27648 310.0 0.627 0.644 0.530 0.000 -0.041 0.000 3/27648 320.0 0.609 0.628 0.515 0.000 -0.040 0.000 3/27648 330.0 0.592 0.613 0.502 0.000 -0.039 0.000 3/27648 340.0 0.576 0.598 0.488 0.000 -0.038 0.000 3/27648 350.0 0.560 0.585 0.476 0.000 -0.037 0.000 3/27648 360.0 0.546 0.571 0.464 0.000 -0.036 0.000 3/27648 370.0 0.532 0.559 0.453 0.000 -0.035 0.000 3/27648 380.0 0.519 0.546 0.442 0.000 -0.034 0.000 3/27648 390.0 0.507 0.535 0.432 0.000 -0.034 0.000 3/27648 400.0 0.495 0.524 0.422 0.000 -0.033 0.000 3/27648 410.0 0.484 0.513 0.412 0.000 -0.032 0.000 3/27648 420.0 0.473 0.502 0.404 0.000 -0.032 0.000 3/27648 430.0 0.462 0.492 0.395 0.000 -0.031 0.000 3/27648 440.0 0.453 0.483 0.387 0.000 -0.030 0.000 3/27648 450.0 0.443 0.474 0.379 0.000 -0.030 0.000 3/27648 460.0 0.434 0.465 0.371 0.000 -0.029 0.000 3/27648 470.0 0.425 0.456 0.364 0.000 -0.029 0.000 3/27648 480.0 0.417 0.448 0.357 0.000 -0.028 0.000 3/27648 490.0 0.409 0.440 0.350 0.000 -0.028 0.000 3/27648 500.0 0.401 0.432 0.344 0.000 -0.027 0.000 3/27648 510.0 0.394 0.424 0.337 0.000 -0.027 0.000 3/27648 520.0 0.386 0.417 0.331 0.000 -0.026 0.000 3/27648 530.0 0.379 0.410 0.325 0.000 -0.026 0.000 3/27648 540.0 0.373 0.403 0.320 0.000 -0.025 0.000 3/27648 550.0 0.366 0.397 0.314 0.000 -0.025 0.000 3/27648 560.0 0.360 0.390 0.309 0.000 -0.024 0.000 3/27648 570.0 0.354 0.384 0.304 0.000 -0.024 0.000 3/27648 580.0 0.348 0.378 0.299 0.000 -0.024 0.000 3/27648 590.0 0.342 0.372 0.294 0.000 -0.023 0.000 3/27648 600.0 0.337 0.367 0.289 0.000 -0.023 0.000 3/27648 610.0 0.331 0.361 0.285 0.000 -0.023 0.000 3/27648 620.0 0.326 0.356 0.281 0.000 -0.022 0.000 3/27648 630.0 0.321 0.351 0.276 0.000 -0.022 0.000 3/27648 640.0 0.316 0.346 0.272 0.000 -0.022 0.000 3/27648 650.0 0.312 0.341 0.268 0.000 -0.021 0.000 3/27648 660.0 0.307 0.336 0.264 0.000 -0.021 0.000 3/27648 670.0 0.303 0.331 0.261 0.000 -0.021 0.000 3/27648 680.0 0.298 0.327 0.257 0.000 -0.020 0.000 3/27648 690.0 0.294 0.322 0.253 0.000 -0.020 0.000 3/27648 700.0 0.290 0.318 0.250 0.000 -0.020 0.000 3/27648 710.0 0.286 0.314 0.247 0.000 -0.020 0.000 3/27648 720.0 0.282 0.310 0.243 0.000 -0.019 0.000 3/27648 730.0 0.279 0.306 0.240 0.000 -0.019 0.000 3/27648 740.0 0.275 0.302 0.237 0.000 -0.019 0.000 3/27648 750.0 0.271 0.298 0.234 0.000 -0.019 0.000 3/27648 760.0 0.268 0.294 0.231 0.000 -0.018 0.000 3/27648 770.0 0.264 0.291 0.228 0.000 -0.018 0.000 3/27648 780.0 0.261 0.287 0.225 0.000 -0.018 0.000 3/27648 790.0 0.258 0.284 0.222 0.000 -0.018 0.000 3/27648 800.0 0.255 0.280 0.220 0.000 -0.018 0.000 3/27648 810.0 0.252 0.277 0.217 0.000 -0.017 0.000 3/27648 820.0 0.249 0.274 0.215 0.000 -0.017 0.000 3/27648 830.0 0.246 0.271 0.212 0.000 -0.017 0.000 3/27648 840.0 0.243 0.268 0.210 0.000 -0.017 0.000 3/27648 850.0 0.240 0.265 0.207 0.000 -0.017 0.000 3/27648 860.0 0.237 0.262 0.205 0.000 -0.016 0.000 3/27648 870.0 0.235 0.259 0.203 0.000 -0.016 0.000 3/27648 880.0 0.232 0.256 0.200 0.000 -0.016 0.000 3/27648 890.0 0.230 0.253 0.198 0.000 -0.016 0.000 3/27648 900.0 0.227 0.251 0.196 0.000 -0.016 0.000 3/27648 910.0 0.225 0.248 0.194 0.000 -0.015 0.000 3/27648 920.0 0.222 0.245 0.192 0.000 -0.015 0.000 3/27648 930.0 0.220 0.243 0.190 0.000 -0.015 0.000 3/27648 940.0 0.218 0.240 0.188 0.000 -0.015 0.000 3/27648 950.0 0.215 0.238 0.186 0.000 -0.015 0.000 3/27648 960.0 0.213 0.236 0.184 0.000 -0.015 0.000 3/27648 970.0 0.211 0.233 0.182 0.000 -0.015 0.000 3/27648 980.0 0.209 0.231 0.180 0.000 -0.014 0.000 3/27648 990.0 0.207 0.229 0.179 0.000 -0.014 0.000 3/27648 1000.0 0.205 0.227 0.177 0.000 -0.014 0.000 3/27648 Thermal conductivity related properties were written into "kappa-m888.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:05:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|