----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 11:51:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.882765423965209 0.000000000000000 0.000000000000000 b 0.000000000000000 7.211078130000000 0.000000000000000 c -0.508972862169309 0.000000000000000 6.691948273353427 Atomic positions (fractional): *1 Sr 0.96998006131638 0.75000000000000 0.68281094122222 87.620 2 Sr 0.03001993868362 0.25000000000000 0.31718905877778 87.620 *3 Ta 0.53390455582157 0.75000000000000 0.21958991531375 180.948 4 Ta 0.46609544417843 0.25000000000000 0.78041008468625 180.948 *5 F 0.34517084853857 0.75000000000000 0.95010588046536 18.998 *6 F 0.67666418964112 0.47523499291128 0.78273842598990 18.998 7 F 0.65482915146142 0.25000000000000 0.04989411953464 18.998 8 F 0.32333581035887 0.97523499291128 0.21726157401010 18.998 *9 F 0.82877677181401 0.75000000000000 0.04407659878467 18.998 *10 F 0.80802033106731 0.92401485140342 0.35962412453364 18.998 11 F 0.80802033106731 0.57598514859658 0.35962412453364 18.998 12 F 0.19197966893269 0.42401485140342 0.64037587546636 18.998 13 F 0.67666418964112 0.02476500708872 0.78273842598990 18.998 14 F 0.17122322818599 0.25000000000000 0.95592340121533 18.998 15 F 0.32333581035887 0.52476500708872 0.21726157401010 18.998 *16 F 0.58463708977697 0.25000000000000 0.50344652483363 18.998 17 F 0.19197966893269 0.07598514859658 0.64037587546636 18.998 18 F 0.41536291022303 0.75000000000000 0.49655347516637 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.882765423965209 0.000000000000000 0.000000000000000 b 0.000000000000000 7.211078130000000 0.000000000000000 c -0.508972862169309 0.000000000000000 6.691948273353427 Atomic positions (fractional): *1 Sr 0.96998006131638 0.75000000000000 0.68281094122222 87.620 > 1 2 Sr 0.03001993868362 0.25000000000000 0.31718905877778 87.620 > 2 *3 Ta 0.53390455582157 0.75000000000000 0.21958991531375 180.948 > 3 4 Ta 0.46609544417843 0.25000000000000 0.78041008468625 180.948 > 4 *5 F 0.34517084853857 0.75000000000000 0.95010588046536 18.998 > 5 *6 F 0.67666418964112 0.47523499291128 0.78273842598990 18.998 > 6 7 F 0.65482915146142 0.25000000000000 0.04989411953464 18.998 > 7 8 F 0.32333581035887 0.97523499291128 0.21726157401010 18.998 > 8 *9 F 0.82877677181401 0.75000000000000 0.04407659878467 18.998 > 9 *10 F 0.80802033106731 0.92401485140342 0.35962412453364 18.998 > 10 11 F 0.80802033106731 0.57598514859658 0.35962412453364 18.998 > 11 12 F 0.19197966893269 0.42401485140342 0.64037587546636 18.998 > 12 13 F 0.67666418964112 0.02476500708872 0.78273842598990 18.998 > 13 14 F 0.17122322818599 0.25000000000000 0.95592340121533 18.998 > 14 15 F 0.32333581035887 0.52476500708872 0.21726157401010 18.998 > 15 *16 F 0.58463708977697 0.25000000000000 0.50344652483363 18.998 > 16 17 F 0.19197966893269 0.07598514859658 0.64037587546636 18.998 > 17 18 F 0.41536291022303 0.75000000000000 0.49655347516637 18.998 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.765530847930417 0.000000000000000 0.000000000000000 b 0.000000000000000 14.422156260000000 0.000000000000000 c -1.017945724338618 0.000000000000000 13.383896546706854 Atomic positions (fractional): *1 Sr 0.48499003065819 0.37500000000000 0.34140547061111 87.620 > 1 2 Sr 0.98499003065819 0.37500000000000 0.34140547061111 87.620 > 1 3 Sr 0.48499003065819 0.87500000000000 0.34140547061111 87.620 > 1 4 Sr 0.98499003065819 0.87500000000000 0.34140547061111 87.620 > 1 5 Sr 0.48499003065819 0.37500000000000 0.84140547061111 87.620 > 1 6 Sr 0.98499003065819 0.37500000000000 0.84140547061111 87.620 > 1 7 Sr 0.48499003065819 0.87500000000000 0.84140547061111 87.620 > 1 8 Sr 0.98499003065819 0.87500000000000 0.84140547061111 87.620 > 1 9 Sr 0.01500996934181 0.12500000000000 0.15859452938889 87.620 > 2 10 Sr 0.51500996934181 0.12500000000000 0.15859452938889 87.620 > 2 11 Sr 0.01500996934181 0.62500000000000 0.15859452938889 87.620 > 2 12 Sr 0.51500996934181 0.62500000000000 0.15859452938889 87.620 > 2 13 Sr 0.01500996934181 0.12500000000000 0.65859452938889 87.620 > 2 14 Sr 0.51500996934181 0.12500000000000 0.65859452938889 87.620 > 2 15 Sr 0.01500996934181 0.62500000000000 0.65859452938889 87.620 > 2 16 Sr 0.51500996934181 0.62500000000000 0.65859452938889 87.620 > 2 *17 Ta 0.26695227791078 0.37500000000000 0.10979495765687 180.948 > 3 18 Ta 0.76695227791078 0.37500000000000 0.10979495765687 180.948 > 3 19 Ta 0.26695227791078 0.87500000000000 0.10979495765687 180.948 > 3 20 Ta 0.76695227791078 0.87500000000000 0.10979495765687 180.948 > 3 21 Ta 0.26695227791078 0.37500000000000 0.60979495765687 180.948 > 3 22 Ta 0.76695227791078 0.37500000000000 0.60979495765687 180.948 > 3 23 Ta 0.26695227791078 0.87500000000000 0.60979495765687 180.948 > 3 24 Ta 0.76695227791078 0.87500000000000 0.60979495765687 180.948 > 3 25 Ta 0.23304772208922 0.12500000000000 0.39020504234313 180.948 > 4 26 Ta 0.73304772208922 0.12500000000000 0.39020504234313 180.948 > 4 27 Ta 0.23304772208922 0.62500000000000 0.39020504234313 180.948 > 4 28 Ta 0.73304772208922 0.62500000000000 0.39020504234313 180.948 > 4 29 Ta 0.23304772208922 0.12500000000000 0.89020504234313 180.948 > 4 30 Ta 0.73304772208922 0.12500000000000 0.89020504234313 180.948 > 4 31 Ta 0.23304772208922 0.62500000000000 0.89020504234313 180.948 > 4 32 Ta 0.73304772208922 0.62500000000000 0.89020504234313 180.948 > 4 *33 F 0.17258542426929 0.37500000000000 0.47505294023268 18.998 > 5 34 F 0.67258542426929 0.37500000000000 0.47505294023268 18.998 > 5 35 F 0.17258542426929 0.87500000000000 0.47505294023268 18.998 > 5 36 F 0.67258542426929 0.87500000000000 0.47505294023268 18.998 > 5 37 F 0.17258542426929 0.37500000000000 0.97505294023268 18.998 > 5 38 F 0.67258542426929 0.37500000000000 0.97505294023268 18.998 > 5 39 F 0.17258542426929 0.87500000000000 0.97505294023268 18.998 > 5 40 F 0.67258542426929 0.87500000000000 0.97505294023268 18.998 > 5 *41 F 0.33833209482056 0.23761749645564 0.39136921299495 18.998 > 6 42 F 0.83833209482056 0.23761749645564 0.39136921299495 18.998 > 6 43 F 0.33833209482056 0.73761749645564 0.39136921299495 18.998 > 6 44 F 0.83833209482056 0.73761749645564 0.39136921299495 18.998 > 6 45 F 0.33833209482056 0.23761749645564 0.89136921299495 18.998 > 6 46 F 0.83833209482056 0.23761749645564 0.89136921299495 18.998 > 6 47 F 0.33833209482056 0.73761749645564 0.89136921299495 18.998 > 6 48 F 0.83833209482056 0.73761749645564 0.89136921299495 18.998 > 6 49 F 0.32741457573071 0.12500000000000 0.02494705976732 18.998 > 7 50 F 0.82741457573071 0.12500000000000 0.02494705976732 18.998 > 7 51 F 0.32741457573071 0.62500000000000 0.02494705976732 18.998 > 7 52 F 0.82741457573071 0.62500000000000 0.02494705976732 18.998 > 7 53 F 0.32741457573071 0.12500000000000 0.52494705976732 18.998 > 7 54 F 0.82741457573071 0.12500000000000 0.52494705976732 18.998 > 7 55 F 0.32741457573071 0.62500000000000 0.52494705976732 18.998 > 7 56 F 0.82741457573071 0.62500000000000 0.52494705976732 18.998 > 7 57 F 0.16166790517944 0.48761749645564 0.10863078700505 18.998 > 8 58 F 0.66166790517944 0.48761749645564 0.10863078700505 18.998 > 8 59 F 0.16166790517944 0.98761749645564 0.10863078700505 18.998 > 8 60 F 0.66166790517944 0.98761749645564 0.10863078700505 18.998 > 8 61 F 0.16166790517944 0.48761749645564 0.60863078700505 18.998 > 8 62 F 0.66166790517944 0.48761749645564 0.60863078700505 18.998 > 8 63 F 0.16166790517944 0.98761749645564 0.60863078700505 18.998 > 8 64 F 0.66166790517944 0.98761749645564 0.60863078700505 18.998 > 8 *65 F 0.41438838590700 0.37500000000000 0.02203829939233 18.998 > 9 66 F 0.91438838590700 0.37500000000000 0.02203829939233 18.998 > 9 67 F 0.41438838590700 0.87500000000000 0.02203829939233 18.998 > 9 68 F 0.91438838590700 0.87500000000000 0.02203829939233 18.998 > 9 69 F 0.41438838590700 0.37500000000000 0.52203829939234 18.998 > 9 70 F 0.91438838590700 0.37500000000000 0.52203829939234 18.998 > 9 71 F 0.41438838590700 0.87500000000000 0.52203829939234 18.998 > 9 72 F 0.91438838590700 0.87500000000000 0.52203829939234 18.998 > 9 *73 F 0.40401016553365 0.46200742570171 0.17981206226682 18.998 > 10 74 F 0.90401016553365 0.46200742570171 0.17981206226682 18.998 > 10 75 F 0.40401016553365 0.96200742570171 0.17981206226682 18.998 > 10 76 F 0.90401016553365 0.96200742570171 0.17981206226682 18.998 > 10 77 F 0.40401016553365 0.46200742570171 0.67981206226682 18.998 > 10 78 F 0.90401016553365 0.46200742570171 0.67981206226682 18.998 > 10 79 F 0.40401016553365 0.96200742570171 0.67981206226682 18.998 > 10 80 F 0.90401016553365 0.96200742570171 0.67981206226682 18.998 > 10 81 F 0.40401016553365 0.28799257429829 0.17981206226682 18.998 > 11 82 F 0.90401016553365 0.28799257429829 0.17981206226682 18.998 > 11 83 F 0.40401016553365 0.78799257429829 0.17981206226682 18.998 > 11 84 F 0.90401016553365 0.78799257429829 0.17981206226682 18.998 > 11 85 F 0.40401016553365 0.28799257429829 0.67981206226682 18.998 > 11 86 F 0.90401016553365 0.28799257429829 0.67981206226682 18.998 > 11 87 F 0.40401016553365 0.78799257429829 0.67981206226682 18.998 > 11 88 F 0.90401016553365 0.78799257429829 0.67981206226682 18.998 > 11 89 F 0.09598983446635 0.21200742570171 0.32018793773318 18.998 > 12 90 F 0.59598983446635 0.21200742570171 0.32018793773318 18.998 > 12 91 F 0.09598983446635 0.71200742570171 0.32018793773318 18.998 > 12 92 F 0.59598983446635 0.71200742570171 0.32018793773318 18.998 > 12 93 F 0.09598983446635 0.21200742570171 0.82018793773318 18.998 > 12 94 F 0.59598983446635 0.21200742570171 0.82018793773318 18.998 > 12 95 F 0.09598983446635 0.71200742570171 0.82018793773318 18.998 > 12 96 F 0.59598983446635 0.71200742570171 0.82018793773318 18.998 > 12 97 F 0.33833209482056 0.01238250354436 0.39136921299495 18.998 > 13 98 F 0.83833209482056 0.01238250354436 0.39136921299495 18.998 > 13 99 F 0.33833209482056 0.51238250354436 0.39136921299495 18.998 > 13 100 F 0.83833209482056 0.51238250354436 0.39136921299495 18.998 > 13 101 F 0.33833209482056 0.01238250354436 0.89136921299495 18.998 > 13 102 F 0.83833209482056 0.01238250354436 0.89136921299495 18.998 > 13 103 F 0.33833209482056 0.51238250354436 0.89136921299495 18.998 > 13 104 F 0.83833209482056 0.51238250354436 0.89136921299495 18.998 > 13 105 F 0.08561161409300 0.12500000000000 0.47796170060767 18.998 > 14 106 F 0.58561161409300 0.12500000000000 0.47796170060767 18.998 > 14 107 F 0.08561161409300 0.62500000000000 0.47796170060767 18.998 > 14 108 F 0.58561161409300 0.62500000000000 0.47796170060767 18.998 > 14 109 F 0.08561161409300 0.12500000000000 0.97796170060767 18.998 > 14 110 F 0.58561161409300 0.12500000000000 0.97796170060767 18.998 > 14 111 F 0.08561161409300 0.62500000000000 0.97796170060767 18.998 > 14 112 F 0.58561161409300 0.62500000000000 0.97796170060767 18.998 > 14 113 F 0.16166790517944 0.26238250354436 0.10863078700505 18.998 > 15 114 F 0.66166790517944 0.26238250354436 0.10863078700505 18.998 > 15 115 F 0.16166790517944 0.76238250354436 0.10863078700505 18.998 > 15 116 F 0.66166790517944 0.76238250354436 0.10863078700505 18.998 > 15 117 F 0.16166790517944 0.26238250354436 0.60863078700505 18.998 > 15 118 F 0.66166790517944 0.26238250354436 0.60863078700505 18.998 > 15 119 F 0.16166790517944 0.76238250354436 0.60863078700505 18.998 > 15 120 F 0.66166790517944 0.76238250354436 0.60863078700505 18.998 > 15 *121 F 0.29231854488848 0.12500000000000 0.25172326241682 18.998 > 16 122 F 0.79231854488848 0.12500000000000 0.25172326241682 18.998 > 16 123 F 0.29231854488848 0.62500000000000 0.25172326241682 18.998 > 16 124 F 0.79231854488848 0.62500000000000 0.25172326241682 18.998 > 16 125 F 0.29231854488848 0.12500000000000 0.75172326241682 18.998 > 16 126 F 0.79231854488848 0.12500000000000 0.75172326241682 18.998 > 16 127 F 0.29231854488848 0.62500000000000 0.75172326241682 18.998 > 16 128 F 0.79231854488848 0.62500000000000 0.75172326241682 18.998 > 16 129 F 0.09598983446635 0.03799257429829 0.32018793773318 18.998 > 17 130 F 0.59598983446635 0.03799257429829 0.32018793773318 18.998 > 17 131 F 0.09598983446635 0.53799257429829 0.32018793773318 18.998 > 17 132 F 0.59598983446635 0.53799257429829 0.32018793773318 18.998 > 17 133 F 0.09598983446635 0.03799257429829 0.82018793773318 18.998 > 17 134 F 0.59598983446635 0.03799257429829 0.82018793773318 18.998 > 17 135 F 0.09598983446635 0.53799257429829 0.82018793773318 18.998 > 17 136 F 0.59598983446635 0.53799257429829 0.82018793773318 18.998 > 17 137 F 0.20768145511152 0.37500000000000 0.24827673758318 18.998 > 18 138 F 0.70768145511152 0.37500000000000 0.24827673758318 18.998 > 18 139 F 0.20768145511152 0.87500000000000 0.24827673758318 18.998 > 18 140 F 0.70768145511152 0.87500000000000 0.24827673758318 18.998 > 18 141 F 0.20768145511152 0.37500000000000 0.74827673758318 18.998 > 18 142 F 0.70768145511152 0.37500000000000 0.74827673758318 18.998 > 18 143 F 0.20768145511152 0.87500000000000 0.74827673758318 18.998 > 18 144 F 0.70768145511152 0.87500000000000 0.74827673758318 18.998 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5042178 0.0000000 0.0338924 0.0000000 2.4905397 0.0000000 0.0338910 0.0000000 2.5759500 -------------------------- Born effective charges -------------------------- 1 Sr 2.7382270 0.0000000 -0.0414949 0.0000000 2.7550858 0.0000000 0.1003883 -0.0000000 2.8814783 2 Sr 2.7382270 0.0000000 -0.0414949 0.0000000 2.7550858 0.0000000 0.1003883 -0.0000000 2.8814783 3 Ta 4.9214041 0.0000000 0.2561658 0.0000000 4.8369362 0.0000000 0.1128047 -0.0000000 5.2371798 4 Ta 4.9214041 0.0000000 0.2561658 0.0000000 4.8369362 0.0000000 0.1128047 -0.0000000 5.2371798 5 F -0.9503430 0.0000000 -0.6462005 0.0000000 -0.6090906 0.0000000 -0.6351948 -0.0000000 -1.8464225 6 F -0.9953632 -0.6795593 0.0518143 -0.6861031 -1.6119298 0.0664915 -0.0132337 -0.0459020 -0.6042019 7 F -0.9503430 0.0000000 -0.6462005 0.0000000 -0.6090906 0.0000000 -0.6351948 -0.0000000 -1.8464225 8 F -0.9953632 0.6795593 0.0518143 0.6861031 -1.6119298 -0.0664915 -0.0132337 0.0459020 -0.6042019 9 F -1.3415897 0.0000000 0.6177984 0.0000000 -0.5485861 0.0000000 0.7027915 -0.0000000 -1.3302649 10 F -1.1779527 -0.5102120 -0.3949098 -0.5044974 -1.2806387 -0.2911065 -0.3665587 -0.2386882 -1.0171946 11 F -1.1779527 0.5102120 -0.3949098 0.5044974 -1.2806387 0.2911065 -0.3665587 0.2386882 -1.0171946 12 F -1.1779527 0.5102120 -0.3949098 0.5044974 -1.2806387 0.2911065 -0.3665587 0.2386882 -1.0171946 13 F -0.9953632 0.6795593 0.0518143 0.6861031 -1.6119298 -0.0664915 -0.0132337 0.0459020 -0.6042019 14 F -1.3415897 0.0000000 0.6177984 0.0000000 -0.5485861 0.0000000 0.7027915 -0.0000000 -1.3302649 15 F -0.9953632 -0.6795593 0.0518143 -0.6861031 -1.6119298 0.0664915 -0.0132337 -0.0459020 -0.6042019 16 F -1.0210665 0.0000000 0.4999223 0.0000000 -0.6492080 0.0000000 0.4787953 -0.0000000 -1.6991775 17 F -1.1779527 -0.5102120 -0.3949098 -0.5044974 -1.2806387 -0.2911065 -0.3665587 -0.2386882 -1.0171946 18 F -1.0210665 0.0000000 0.4999223 0.0000000 -0.6492080 0.0000000 0.4787953 -0.0000000 -1.6991775 ---------------------------------------------------------------------------- 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: 3128 Number of blocks in projector: 3128 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: 748 Use submatrix version of eigh solver. (1) Block: 500 / 748 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 748 / 748 (1) 241 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 548 Use submatrix version of eigh solver. (1) Block: 548 / 548 (2) Block: 250 / 548 (2) 246 eigenvectors found. (2) Block: 548 / 548 (2) 294 eigenvectors found. (2) Complementary block size: 8 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 544 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 548 Use submatrix version of eigh solver. (1) Block: 548 / 548 (2) Block: 250 / 548 (2) 246 eigenvectors found. (2) Block: 548 / 548 (2) 294 eigenvectors found. (2) Complementary block size: 8 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 544 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 428 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 428 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 428 Use standard eigh solver. Tree of FC basis block matrices: - (3128, 3086), data: False |-- (428, 421), data: True |-- (428, 421), data: True |-- (428, 421), data: True |-- (548, 544), data: False |-- (548, 544), data: False |-- (548, 4), data: (548, 8) @ (8, 4) |-- (298, 294), data: True |-- (250, 246), data: True |-- (548, 544), data: False |-- (548, 544), data: False |-- (548, 4), data: (548, 8) @ (8, 4) |-- (298, 294), data: True |-- (250, 246), data: True |-- (748, 735), data: False |-- (748, 7), data: (748, 20) @ (20, 7) |-- (248, 241), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 237), data: True |-- (250, 239), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 560 - Time: 1.094 Solver_block: 200 / 560 - Time: 1.042 Solver_block: 300 / 560 - Time: 1.053 Solver_block: 400 / 560 - Time: 1.056 Solver_block: 500 / 560 - Time: 1.049 Solver_block: 560 / 560 - Time: 0.671 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.090 --------------------------------- 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: 3128 Number of blocks in projector: 3128 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: 748 Use submatrix version of eigh solver. (1) Block: 500 / 748 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 748 / 748 (1) 241 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 548 Use submatrix version of eigh solver. (1) Block: 548 / 548 (2) Block: 250 / 548 (2) 246 eigenvectors found. (2) Block: 548 / 548 (2) 294 eigenvectors found. (2) Complementary block size: 8 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 544 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 548 Use submatrix version of eigh solver. (1) Block: 548 / 548 (2) Block: 250 / 548 (2) 246 eigenvectors found. (2) Block: 548 / 548 (2) 294 eigenvectors found. (2) Complementary block size: 8 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 544 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 428 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 428 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 428 Use standard eigh solver. Tree of FC basis block matrices: - (3128, 3086), data: False |-- (428, 421), data: True |-- (428, 421), data: True |-- (428, 421), data: True |-- (548, 544), data: False |-- (548, 544), data: False |-- (548, 4), data: (548, 8) @ (8, 4) |-- (298, 294), data: True |-- (250, 246), data: True |-- (548, 544), data: False |-- (548, 544), data: False |-- (548, 4), data: (548, 8) @ (8, 4) |-- (298, 294), data: True |-- (250, 246), data: True |-- (748, 735), data: False |-- (748, 7), data: (748, 20) @ (20, 7) |-- (248, 241), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 237), data: True |-- (250, 239), 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 11:51:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:51:57]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: 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/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.882765423965209 0.000000000000000 0.000000000000000 b 0.000000000000000 7.211078130000000 0.000000000000000 c -0.508972862169309 0.000000000000000 6.691948273353427 Atomic positions (fractional): 1 Sr 0.96998006131638 0.75000000000000 0.68281094122222 87.620 2 Sr 0.03001993868362 0.25000000000000 0.31718905877778 87.620 3 Ta 0.53390455582157 0.75000000000000 0.21958991531375 180.948 4 Ta 0.46609544417843 0.25000000000000 0.78041008468625 180.948 5 F 0.34517084853857 0.75000000000000 0.95010588046536 18.998 6 F 0.67666418964112 0.47523499291128 0.78273842598990 18.998 7 F 0.65482915146142 0.25000000000000 0.04989411953464 18.998 8 F 0.32333581035887 0.97523499291128 0.21726157401010 18.998 9 F 0.82877677181401 0.75000000000000 0.04407659878467 18.998 10 F 0.80802033106731 0.92401485140342 0.35962412453364 18.998 11 F 0.80802033106731 0.57598514859658 0.35962412453364 18.998 12 F 0.19197966893269 0.42401485140342 0.64037587546636 18.998 13 F 0.67666418964112 0.02476500708872 0.78273842598990 18.998 14 F 0.17122322818599 0.25000000000000 0.95592340121533 18.998 15 F 0.32333581035887 0.52476500708872 0.21726157401010 18.998 16 F 0.58463708977697 0.25000000000000 0.50344652483363 18.998 17 F 0.19197966893269 0.07598514859658 0.64037587546636 18.998 18 F 0.41536291022303 0.75000000000000 0.49655347516637 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.765530847930417 0.000000000000000 0.000000000000000 b 0.000000000000000 14.422156260000000 0.000000000000000 c -1.017945724338618 0.000000000000000 13.383896546706854 Atomic positions (fractional): 1 Sr 0.48499003065819 0.37500000000000 0.34140547061111 87.620 > 1 2 Sr 0.98499003065819 0.37500000000000 0.34140547061111 87.620 > 1 3 Sr 0.48499003065819 0.87500000000000 0.34140547061111 87.620 > 1 4 Sr 0.98499003065819 0.87500000000000 0.34140547061111 87.620 > 1 5 Sr 0.48499003065819 0.37500000000000 0.84140547061111 87.620 > 1 6 Sr 0.98499003065819 0.37500000000000 0.84140547061111 87.620 > 1 7 Sr 0.48499003065819 0.87500000000000 0.84140547061111 87.620 > 1 8 Sr 0.98499003065819 0.87500000000000 0.84140547061111 87.620 > 1 9 Sr 0.01500996934181 0.12500000000000 0.15859452938889 87.620 > 9 10 Sr 0.51500996934181 0.12500000000000 0.15859452938889 87.620 > 9 11 Sr 0.01500996934181 0.62500000000000 0.15859452938889 87.620 > 9 12 Sr 0.51500996934181 0.62500000000000 0.15859452938889 87.620 > 9 13 Sr 0.01500996934181 0.12500000000000 0.65859452938889 87.620 > 9 14 Sr 0.51500996934181 0.12500000000000 0.65859452938889 87.620 > 9 15 Sr 0.01500996934181 0.62500000000000 0.65859452938889 87.620 > 9 16 Sr 0.51500996934181 0.62500000000000 0.65859452938889 87.620 > 9 17 Ta 0.26695227791078 0.37500000000000 0.10979495765687 180.948 > 17 18 Ta 0.76695227791078 0.37500000000000 0.10979495765687 180.948 > 17 19 Ta 0.26695227791078 0.87500000000000 0.10979495765687 180.948 > 17 20 Ta 0.76695227791078 0.87500000000000 0.10979495765687 180.948 > 17 21 Ta 0.26695227791078 0.37500000000000 0.60979495765687 180.948 > 17 22 Ta 0.76695227791078 0.37500000000000 0.60979495765687 180.948 > 17 23 Ta 0.26695227791078 0.87500000000000 0.60979495765687 180.948 > 17 24 Ta 0.76695227791078 0.87500000000000 0.60979495765687 180.948 > 17 25 Ta 0.23304772208922 0.12500000000000 0.39020504234313 180.948 > 25 26 Ta 0.73304772208922 0.12500000000000 0.39020504234313 180.948 > 25 27 Ta 0.23304772208922 0.62500000000000 0.39020504234313 180.948 > 25 28 Ta 0.73304772208922 0.62500000000000 0.39020504234313 180.948 > 25 29 Ta 0.23304772208922 0.12500000000000 0.89020504234313 180.948 > 25 30 Ta 0.73304772208922 0.12500000000000 0.89020504234313 180.948 > 25 31 Ta 0.23304772208922 0.62500000000000 0.89020504234313 180.948 > 25 32 Ta 0.73304772208922 0.62500000000000 0.89020504234313 180.948 > 25 33 F 0.17258542426929 0.37500000000000 0.47505294023268 18.998 > 33 34 F 0.67258542426929 0.37500000000000 0.47505294023268 18.998 > 33 35 F 0.17258542426929 0.87500000000000 0.47505294023268 18.998 > 33 36 F 0.67258542426929 0.87500000000000 0.47505294023268 18.998 > 33 37 F 0.17258542426929 0.37500000000000 0.97505294023268 18.998 > 33 38 F 0.67258542426929 0.37500000000000 0.97505294023268 18.998 > 33 39 F 0.17258542426929 0.87500000000000 0.97505294023268 18.998 > 33 40 F 0.67258542426929 0.87500000000000 0.97505294023268 18.998 > 33 41 F 0.33833209482056 0.23761749645564 0.39136921299495 18.998 > 41 42 F 0.83833209482056 0.23761749645564 0.39136921299495 18.998 > 41 43 F 0.33833209482056 0.73761749645564 0.39136921299495 18.998 > 41 44 F 0.83833209482056 0.73761749645564 0.39136921299495 18.998 > 41 45 F 0.33833209482056 0.23761749645564 0.89136921299495 18.998 > 41 46 F 0.83833209482056 0.23761749645564 0.89136921299495 18.998 > 41 47 F 0.33833209482056 0.73761749645564 0.89136921299495 18.998 > 41 48 F 0.83833209482056 0.73761749645564 0.89136921299495 18.998 > 41 49 F 0.32741457573071 0.12500000000000 0.02494705976732 18.998 > 49 50 F 0.82741457573071 0.12500000000000 0.02494705976732 18.998 > 49 51 F 0.32741457573071 0.62500000000000 0.02494705976732 18.998 > 49 52 F 0.82741457573071 0.62500000000000 0.02494705976732 18.998 > 49 53 F 0.32741457573071 0.12500000000000 0.52494705976732 18.998 > 49 54 F 0.82741457573071 0.12500000000000 0.52494705976732 18.998 > 49 55 F 0.32741457573071 0.62500000000000 0.52494705976732 18.998 > 49 56 F 0.82741457573071 0.62500000000000 0.52494705976732 18.998 > 49 57 F 0.16166790517944 0.48761749645564 0.10863078700505 18.998 > 57 58 F 0.66166790517944 0.48761749645564 0.10863078700505 18.998 > 57 59 F 0.16166790517944 0.98761749645564 0.10863078700505 18.998 > 57 60 F 0.66166790517944 0.98761749645564 0.10863078700505 18.998 > 57 61 F 0.16166790517944 0.48761749645564 0.60863078700505 18.998 > 57 62 F 0.66166790517944 0.48761749645564 0.60863078700505 18.998 > 57 63 F 0.16166790517944 0.98761749645564 0.60863078700505 18.998 > 57 64 F 0.66166790517944 0.98761749645564 0.60863078700505 18.998 > 57 65 F 0.41438838590700 0.37500000000000 0.02203829939233 18.998 > 65 66 F 0.91438838590700 0.37500000000000 0.02203829939233 18.998 > 65 67 F 0.41438838590700 0.87500000000000 0.02203829939233 18.998 > 65 68 F 0.91438838590700 0.87500000000000 0.02203829939233 18.998 > 65 69 F 0.41438838590700 0.37500000000000 0.52203829939234 18.998 > 65 70 F 0.91438838590700 0.37500000000000 0.52203829939234 18.998 > 65 71 F 0.41438838590700 0.87500000000000 0.52203829939234 18.998 > 65 72 F 0.91438838590700 0.87500000000000 0.52203829939234 18.998 > 65 73 F 0.40401016553365 0.46200742570171 0.17981206226682 18.998 > 73 74 F 0.90401016553365 0.46200742570171 0.17981206226682 18.998 > 73 75 F 0.40401016553365 0.96200742570171 0.17981206226682 18.998 > 73 76 F 0.90401016553365 0.96200742570171 0.17981206226682 18.998 > 73 77 F 0.40401016553365 0.46200742570171 0.67981206226682 18.998 > 73 78 F 0.90401016553365 0.46200742570171 0.67981206226682 18.998 > 73 79 F 0.40401016553365 0.96200742570171 0.67981206226682 18.998 > 73 80 F 0.90401016553365 0.96200742570171 0.67981206226682 18.998 > 73 81 F 0.40401016553365 0.28799257429829 0.17981206226682 18.998 > 81 82 F 0.90401016553365 0.28799257429829 0.17981206226682 18.998 > 81 83 F 0.40401016553365 0.78799257429829 0.17981206226682 18.998 > 81 84 F 0.90401016553365 0.78799257429829 0.17981206226682 18.998 > 81 85 F 0.40401016553365 0.28799257429829 0.67981206226682 18.998 > 81 86 F 0.90401016553365 0.28799257429829 0.67981206226682 18.998 > 81 87 F 0.40401016553365 0.78799257429829 0.67981206226682 18.998 > 81 88 F 0.90401016553365 0.78799257429829 0.67981206226682 18.998 > 81 89 F 0.09598983446635 0.21200742570171 0.32018793773318 18.998 > 89 90 F 0.59598983446635 0.21200742570171 0.32018793773318 18.998 > 89 91 F 0.09598983446635 0.71200742570171 0.32018793773318 18.998 > 89 92 F 0.59598983446635 0.71200742570171 0.32018793773318 18.998 > 89 93 F 0.09598983446635 0.21200742570171 0.82018793773318 18.998 > 89 94 F 0.59598983446635 0.21200742570171 0.82018793773318 18.998 > 89 95 F 0.09598983446635 0.71200742570171 0.82018793773318 18.998 > 89 96 F 0.59598983446635 0.71200742570171 0.82018793773318 18.998 > 89 97 F 0.33833209482056 0.01238250354436 0.39136921299495 18.998 > 97 98 F 0.83833209482056 0.01238250354436 0.39136921299495 18.998 > 97 99 F 0.33833209482056 0.51238250354436 0.39136921299495 18.998 > 97 100 F 0.83833209482056 0.51238250354436 0.39136921299495 18.998 > 97 101 F 0.33833209482056 0.01238250354436 0.89136921299495 18.998 > 97 102 F 0.83833209482056 0.01238250354436 0.89136921299495 18.998 > 97 103 F 0.33833209482056 0.51238250354436 0.89136921299495 18.998 > 97 104 F 0.83833209482056 0.51238250354436 0.89136921299495 18.998 > 97 105 F 0.08561161409300 0.12500000000000 0.47796170060767 18.998 > 105 106 F 0.58561161409300 0.12500000000000 0.47796170060767 18.998 > 105 107 F 0.08561161409300 0.62500000000000 0.47796170060767 18.998 > 105 108 F 0.58561161409300 0.62500000000000 0.47796170060767 18.998 > 105 109 F 0.08561161409300 0.12500000000000 0.97796170060767 18.998 > 105 110 F 0.58561161409300 0.12500000000000 0.97796170060767 18.998 > 105 111 F 0.08561161409300 0.62500000000000 0.97796170060767 18.998 > 105 112 F 0.58561161409300 0.62500000000000 0.97796170060767 18.998 > 105 113 F 0.16166790517944 0.26238250354436 0.10863078700505 18.998 > 113 114 F 0.66166790517944 0.26238250354436 0.10863078700505 18.998 > 113 115 F 0.16166790517944 0.76238250354436 0.10863078700505 18.998 > 113 116 F 0.66166790517944 0.76238250354436 0.10863078700505 18.998 > 113 117 F 0.16166790517944 0.26238250354436 0.60863078700505 18.998 > 113 118 F 0.66166790517944 0.26238250354436 0.60863078700505 18.998 > 113 119 F 0.16166790517944 0.76238250354436 0.60863078700505 18.998 > 113 120 F 0.66166790517944 0.76238250354436 0.60863078700505 18.998 > 113 121 F 0.29231854488848 0.12500000000000 0.25172326241682 18.998 > 121 122 F 0.79231854488848 0.12500000000000 0.25172326241682 18.998 > 121 123 F 0.29231854488848 0.62500000000000 0.25172326241682 18.998 > 121 124 F 0.79231854488848 0.62500000000000 0.25172326241682 18.998 > 121 125 F 0.29231854488848 0.12500000000000 0.75172326241682 18.998 > 121 126 F 0.79231854488848 0.12500000000000 0.75172326241682 18.998 > 121 127 F 0.29231854488848 0.62500000000000 0.75172326241682 18.998 > 121 128 F 0.79231854488848 0.62500000000000 0.75172326241682 18.998 > 121 129 F 0.09598983446635 0.03799257429829 0.32018793773318 18.998 > 129 130 F 0.59598983446635 0.03799257429829 0.32018793773318 18.998 > 129 131 F 0.09598983446635 0.53799257429829 0.32018793773318 18.998 > 129 132 F 0.59598983446635 0.53799257429829 0.32018793773318 18.998 > 129 133 F 0.09598983446635 0.03799257429829 0.82018793773318 18.998 > 129 134 F 0.59598983446635 0.03799257429829 0.82018793773318 18.998 > 129 135 F 0.09598983446635 0.53799257429829 0.82018793773318 18.998 > 129 136 F 0.59598983446635 0.53799257429829 0.82018793773318 18.998 > 129 137 F 0.20768145511152 0.37500000000000 0.24827673758318 18.998 > 137 138 F 0.70768145511152 0.37500000000000 0.24827673758318 18.998 > 137 139 F 0.20768145511152 0.87500000000000 0.24827673758318 18.998 > 137 140 F 0.70768145511152 0.87500000000000 0.24827673758318 18.998 > 137 141 F 0.20768145511152 0.37500000000000 0.74827673758318 18.998 > 137 142 F 0.70768145511152 0.37500000000000 0.74827673758318 18.998 > 137 143 F 0.20768145511152 0.87500000000000 0.74827673758318 18.998 > 137 144 F 0.70768145511152 0.87500000000000 0.74827673758318 18.998 > 137 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5042178 0.0000000 0.0338924 0.0000000 2.4905397 0.0000000 0.0338910 0.0000000 2.5759500 -------------------------- Born effective charges -------------------------- 1 Sr 2.7382270 0.0000000 -0.0414949 0.0000000 2.7550858 0.0000000 0.1003883 -0.0000000 2.8814783 2 Sr 2.7382270 0.0000000 -0.0414949 0.0000000 2.7550858 0.0000000 0.1003883 -0.0000000 2.8814783 3 Ta 4.9214041 0.0000000 0.2561658 0.0000000 4.8369362 0.0000000 0.1128047 -0.0000000 5.2371798 4 Ta 4.9214041 0.0000000 0.2561658 0.0000000 4.8369362 0.0000000 0.1128047 -0.0000000 5.2371798 5 F -0.9503430 0.0000000 -0.6462005 0.0000000 -0.6090906 0.0000000 -0.6351948 -0.0000000 -1.8464225 6 F -0.9953632 -0.6795593 0.0518143 -0.6861031 -1.6119298 0.0664915 -0.0132337 -0.0459020 -0.6042019 7 F -0.9503430 0.0000000 -0.6462005 0.0000000 -0.6090906 0.0000000 -0.6351948 -0.0000000 -1.8464225 8 F -0.9953632 0.6795593 0.0518143 0.6861031 -1.6119298 -0.0664915 -0.0132337 0.0459020 -0.6042019 9 F -1.3415897 0.0000000 0.6177984 0.0000000 -0.5485861 0.0000000 0.7027915 -0.0000000 -1.3302649 10 F -1.1779527 -0.5102120 -0.3949098 -0.5044974 -1.2806387 -0.2911065 -0.3665587 -0.2386882 -1.0171946 11 F -1.1779527 0.5102120 -0.3949098 0.5044974 -1.2806387 0.2911065 -0.3665587 0.2386882 -1.0171946 12 F -1.1779527 0.5102120 -0.3949098 0.5044974 -1.2806387 0.2911065 -0.3665587 0.2386882 -1.0171946 13 F -0.9953632 0.6795593 0.0518143 0.6861031 -1.6119298 -0.0664915 -0.0132337 0.0459020 -0.6042019 14 F -1.3415897 0.0000000 0.6177984 0.0000000 -0.5485861 0.0000000 0.7027915 -0.0000000 -1.3302649 15 F -0.9953632 -0.6795593 0.0518143 -0.6861031 -1.6119298 0.0664915 -0.0132337 -0.0459020 -0.6042019 16 F -1.0210665 0.0000000 0.4999223 0.0000000 -0.6492080 0.0000000 0.4787953 -0.0000000 -1.6991775 17 F -1.1779527 -0.5102120 -0.3949098 -0.5044974 -1.2806387 -0.2911065 -0.3665587 -0.2386882 -1.0171946 18 F -1.0210665 0.0000000 0.4999223 0.0000000 -0.6492080 0.0000000 0.4787953 -0.0000000 -1.6991775 ---------------------------------------------------------------------------- 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] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] 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] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] Computing fc3[ 41, 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] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] 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] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] 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] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] Computing fc3[ 121, 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] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000054 (xxx) 0.00000054 (xxx) 0.00000054 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000043 (xz) 0.00000043 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:52:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:52:35]------------------------- 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/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.882765423965209 0.000000000000000 0.000000000000000 b 0.000000000000000 7.211078130000000 0.000000000000000 c -0.508972862169309 0.000000000000000 6.691948273353427 Atomic positions (fractional): 1 Sr 0.96998006131638 0.75000000000000 0.68281094122222 87.620 2 Sr 0.03001993868362 0.25000000000000 0.31718905877778 87.620 3 Ta 0.53390455582157 0.75000000000000 0.21958991531375 180.948 4 Ta 0.46609544417843 0.25000000000000 0.78041008468625 180.948 5 F 0.34517084853857 0.75000000000000 0.95010588046536 18.998 6 F 0.67666418964112 0.47523499291128 0.78273842598990 18.998 7 F 0.65482915146142 0.25000000000000 0.04989411953464 18.998 8 F 0.32333581035887 0.97523499291128 0.21726157401010 18.998 9 F 0.82877677181401 0.75000000000000 0.04407659878467 18.998 10 F 0.80802033106731 0.92401485140342 0.35962412453364 18.998 11 F 0.80802033106731 0.57598514859658 0.35962412453364 18.998 12 F 0.19197966893269 0.42401485140342 0.64037587546636 18.998 13 F 0.67666418964112 0.02476500708872 0.78273842598990 18.998 14 F 0.17122322818599 0.25000000000000 0.95592340121533 18.998 15 F 0.32333581035887 0.52476500708872 0.21726157401010 18.998 16 F 0.58463708977697 0.25000000000000 0.50344652483363 18.998 17 F 0.19197966893269 0.07598514859658 0.64037587546636 18.998 18 F 0.41536291022303 0.75000000000000 0.49655347516637 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.765530847930417 0.000000000000000 0.000000000000000 b 0.000000000000000 14.422156260000000 0.000000000000000 c -1.017945724338618 0.000000000000000 13.383896546706854 Atomic positions (fractional): 1 Sr 0.48499003065819 0.37500000000000 0.34140547061111 87.620 > 1 2 Sr 0.98499003065819 0.37500000000000 0.34140547061111 87.620 > 1 3 Sr 0.48499003065819 0.87500000000000 0.34140547061111 87.620 > 1 4 Sr 0.98499003065819 0.87500000000000 0.34140547061111 87.620 > 1 5 Sr 0.48499003065819 0.37500000000000 0.84140547061111 87.620 > 1 6 Sr 0.98499003065819 0.37500000000000 0.84140547061111 87.620 > 1 7 Sr 0.48499003065819 0.87500000000000 0.84140547061111 87.620 > 1 8 Sr 0.98499003065819 0.87500000000000 0.84140547061111 87.620 > 1 9 Sr 0.01500996934181 0.12500000000000 0.15859452938889 87.620 > 9 10 Sr 0.51500996934181 0.12500000000000 0.15859452938889 87.620 > 9 11 Sr 0.01500996934181 0.62500000000000 0.15859452938889 87.620 > 9 12 Sr 0.51500996934181 0.62500000000000 0.15859452938889 87.620 > 9 13 Sr 0.01500996934181 0.12500000000000 0.65859452938889 87.620 > 9 14 Sr 0.51500996934181 0.12500000000000 0.65859452938889 87.620 > 9 15 Sr 0.01500996934181 0.62500000000000 0.65859452938889 87.620 > 9 16 Sr 0.51500996934181 0.62500000000000 0.65859452938889 87.620 > 9 17 Ta 0.26695227791078 0.37500000000000 0.10979495765687 180.948 > 17 18 Ta 0.76695227791078 0.37500000000000 0.10979495765687 180.948 > 17 19 Ta 0.26695227791078 0.87500000000000 0.10979495765687 180.948 > 17 20 Ta 0.76695227791078 0.87500000000000 0.10979495765687 180.948 > 17 21 Ta 0.26695227791078 0.37500000000000 0.60979495765687 180.948 > 17 22 Ta 0.76695227791078 0.37500000000000 0.60979495765687 180.948 > 17 23 Ta 0.26695227791078 0.87500000000000 0.60979495765687 180.948 > 17 24 Ta 0.76695227791078 0.87500000000000 0.60979495765687 180.948 > 17 25 Ta 0.23304772208922 0.12500000000000 0.39020504234313 180.948 > 25 26 Ta 0.73304772208922 0.12500000000000 0.39020504234313 180.948 > 25 27 Ta 0.23304772208922 0.62500000000000 0.39020504234313 180.948 > 25 28 Ta 0.73304772208922 0.62500000000000 0.39020504234313 180.948 > 25 29 Ta 0.23304772208922 0.12500000000000 0.89020504234313 180.948 > 25 30 Ta 0.73304772208922 0.12500000000000 0.89020504234313 180.948 > 25 31 Ta 0.23304772208922 0.62500000000000 0.89020504234313 180.948 > 25 32 Ta 0.73304772208922 0.62500000000000 0.89020504234313 180.948 > 25 33 F 0.17258542426929 0.37500000000000 0.47505294023268 18.998 > 33 34 F 0.67258542426929 0.37500000000000 0.47505294023268 18.998 > 33 35 F 0.17258542426929 0.87500000000000 0.47505294023268 18.998 > 33 36 F 0.67258542426929 0.87500000000000 0.47505294023268 18.998 > 33 37 F 0.17258542426929 0.37500000000000 0.97505294023268 18.998 > 33 38 F 0.67258542426929 0.37500000000000 0.97505294023268 18.998 > 33 39 F 0.17258542426929 0.87500000000000 0.97505294023268 18.998 > 33 40 F 0.67258542426929 0.87500000000000 0.97505294023268 18.998 > 33 41 F 0.33833209482056 0.23761749645564 0.39136921299495 18.998 > 41 42 F 0.83833209482056 0.23761749645564 0.39136921299495 18.998 > 41 43 F 0.33833209482056 0.73761749645564 0.39136921299495 18.998 > 41 44 F 0.83833209482056 0.73761749645564 0.39136921299495 18.998 > 41 45 F 0.33833209482056 0.23761749645564 0.89136921299495 18.998 > 41 46 F 0.83833209482056 0.23761749645564 0.89136921299495 18.998 > 41 47 F 0.33833209482056 0.73761749645564 0.89136921299495 18.998 > 41 48 F 0.83833209482056 0.73761749645564 0.89136921299495 18.998 > 41 49 F 0.32741457573071 0.12500000000000 0.02494705976732 18.998 > 49 50 F 0.82741457573071 0.12500000000000 0.02494705976732 18.998 > 49 51 F 0.32741457573071 0.62500000000000 0.02494705976732 18.998 > 49 52 F 0.82741457573071 0.62500000000000 0.02494705976732 18.998 > 49 53 F 0.32741457573071 0.12500000000000 0.52494705976732 18.998 > 49 54 F 0.82741457573071 0.12500000000000 0.52494705976732 18.998 > 49 55 F 0.32741457573071 0.62500000000000 0.52494705976732 18.998 > 49 56 F 0.82741457573071 0.62500000000000 0.52494705976732 18.998 > 49 57 F 0.16166790517944 0.48761749645564 0.10863078700505 18.998 > 57 58 F 0.66166790517944 0.48761749645564 0.10863078700505 18.998 > 57 59 F 0.16166790517944 0.98761749645564 0.10863078700505 18.998 > 57 60 F 0.66166790517944 0.98761749645564 0.10863078700505 18.998 > 57 61 F 0.16166790517944 0.48761749645564 0.60863078700505 18.998 > 57 62 F 0.66166790517944 0.48761749645564 0.60863078700505 18.998 > 57 63 F 0.16166790517944 0.98761749645564 0.60863078700505 18.998 > 57 64 F 0.66166790517944 0.98761749645564 0.60863078700505 18.998 > 57 65 F 0.41438838590700 0.37500000000000 0.02203829939233 18.998 > 65 66 F 0.91438838590700 0.37500000000000 0.02203829939233 18.998 > 65 67 F 0.41438838590700 0.87500000000000 0.02203829939233 18.998 > 65 68 F 0.91438838590700 0.87500000000000 0.02203829939233 18.998 > 65 69 F 0.41438838590700 0.37500000000000 0.52203829939234 18.998 > 65 70 F 0.91438838590700 0.37500000000000 0.52203829939234 18.998 > 65 71 F 0.41438838590700 0.87500000000000 0.52203829939234 18.998 > 65 72 F 0.91438838590700 0.87500000000000 0.52203829939234 18.998 > 65 73 F 0.40401016553365 0.46200742570171 0.17981206226682 18.998 > 73 74 F 0.90401016553365 0.46200742570171 0.17981206226682 18.998 > 73 75 F 0.40401016553365 0.96200742570171 0.17981206226682 18.998 > 73 76 F 0.90401016553365 0.96200742570171 0.17981206226682 18.998 > 73 77 F 0.40401016553365 0.46200742570171 0.67981206226682 18.998 > 73 78 F 0.90401016553365 0.46200742570171 0.67981206226682 18.998 > 73 79 F 0.40401016553365 0.96200742570171 0.67981206226682 18.998 > 73 80 F 0.90401016553365 0.96200742570171 0.67981206226682 18.998 > 73 81 F 0.40401016553365 0.28799257429829 0.17981206226682 18.998 > 81 82 F 0.90401016553365 0.28799257429829 0.17981206226682 18.998 > 81 83 F 0.40401016553365 0.78799257429829 0.17981206226682 18.998 > 81 84 F 0.90401016553365 0.78799257429829 0.17981206226682 18.998 > 81 85 F 0.40401016553365 0.28799257429829 0.67981206226682 18.998 > 81 86 F 0.90401016553365 0.28799257429829 0.67981206226682 18.998 > 81 87 F 0.40401016553365 0.78799257429829 0.67981206226682 18.998 > 81 88 F 0.90401016553365 0.78799257429829 0.67981206226682 18.998 > 81 89 F 0.09598983446635 0.21200742570171 0.32018793773318 18.998 > 89 90 F 0.59598983446635 0.21200742570171 0.32018793773318 18.998 > 89 91 F 0.09598983446635 0.71200742570171 0.32018793773318 18.998 > 89 92 F 0.59598983446635 0.71200742570171 0.32018793773318 18.998 > 89 93 F 0.09598983446635 0.21200742570171 0.82018793773318 18.998 > 89 94 F 0.59598983446635 0.21200742570171 0.82018793773318 18.998 > 89 95 F 0.09598983446635 0.71200742570171 0.82018793773318 18.998 > 89 96 F 0.59598983446635 0.71200742570171 0.82018793773318 18.998 > 89 97 F 0.33833209482056 0.01238250354436 0.39136921299495 18.998 > 97 98 F 0.83833209482056 0.01238250354436 0.39136921299495 18.998 > 97 99 F 0.33833209482056 0.51238250354436 0.39136921299495 18.998 > 97 100 F 0.83833209482056 0.51238250354436 0.39136921299495 18.998 > 97 101 F 0.33833209482056 0.01238250354436 0.89136921299495 18.998 > 97 102 F 0.83833209482056 0.01238250354436 0.89136921299495 18.998 > 97 103 F 0.33833209482056 0.51238250354436 0.89136921299495 18.998 > 97 104 F 0.83833209482056 0.51238250354436 0.89136921299495 18.998 > 97 105 F 0.08561161409300 0.12500000000000 0.47796170060767 18.998 > 105 106 F 0.58561161409300 0.12500000000000 0.47796170060767 18.998 > 105 107 F 0.08561161409300 0.62500000000000 0.47796170060767 18.998 > 105 108 F 0.58561161409300 0.62500000000000 0.47796170060767 18.998 > 105 109 F 0.08561161409300 0.12500000000000 0.97796170060767 18.998 > 105 110 F 0.58561161409300 0.12500000000000 0.97796170060767 18.998 > 105 111 F 0.08561161409300 0.62500000000000 0.97796170060767 18.998 > 105 112 F 0.58561161409300 0.62500000000000 0.97796170060767 18.998 > 105 113 F 0.16166790517944 0.26238250354436 0.10863078700505 18.998 > 113 114 F 0.66166790517944 0.26238250354436 0.10863078700505 18.998 > 113 115 F 0.16166790517944 0.76238250354436 0.10863078700505 18.998 > 113 116 F 0.66166790517944 0.76238250354436 0.10863078700505 18.998 > 113 117 F 0.16166790517944 0.26238250354436 0.60863078700505 18.998 > 113 118 F 0.66166790517944 0.26238250354436 0.60863078700505 18.998 > 113 119 F 0.16166790517944 0.76238250354436 0.60863078700505 18.998 > 113 120 F 0.66166790517944 0.76238250354436 0.60863078700505 18.998 > 113 121 F 0.29231854488848 0.12500000000000 0.25172326241682 18.998 > 121 122 F 0.79231854488848 0.12500000000000 0.25172326241682 18.998 > 121 123 F 0.29231854488848 0.62500000000000 0.25172326241682 18.998 > 121 124 F 0.79231854488848 0.62500000000000 0.25172326241682 18.998 > 121 125 F 0.29231854488848 0.12500000000000 0.75172326241682 18.998 > 121 126 F 0.79231854488848 0.12500000000000 0.75172326241682 18.998 > 121 127 F 0.29231854488848 0.62500000000000 0.75172326241682 18.998 > 121 128 F 0.79231854488848 0.62500000000000 0.75172326241682 18.998 > 121 129 F 0.09598983446635 0.03799257429829 0.32018793773318 18.998 > 129 130 F 0.59598983446635 0.03799257429829 0.32018793773318 18.998 > 129 131 F 0.09598983446635 0.53799257429829 0.32018793773318 18.998 > 129 132 F 0.59598983446635 0.53799257429829 0.32018793773318 18.998 > 129 133 F 0.09598983446635 0.03799257429829 0.82018793773318 18.998 > 129 134 F 0.59598983446635 0.03799257429829 0.82018793773318 18.998 > 129 135 F 0.09598983446635 0.53799257429829 0.82018793773318 18.998 > 129 136 F 0.59598983446635 0.53799257429829 0.82018793773318 18.998 > 129 137 F 0.20768145511152 0.37500000000000 0.24827673758318 18.998 > 137 138 F 0.70768145511152 0.37500000000000 0.24827673758318 18.998 > 137 139 F 0.20768145511152 0.87500000000000 0.24827673758318 18.998 > 137 140 F 0.70768145511152 0.87500000000000 0.24827673758318 18.998 > 137 141 F 0.20768145511152 0.37500000000000 0.74827673758318 18.998 > 137 142 F 0.70768145511152 0.37500000000000 0.74827673758318 18.998 > 137 143 F 0.20768145511152 0.87500000000000 0.74827673758318 18.998 > 137 144 F 0.70768145511152 0.87500000000000 0.74827673758318 18.998 > 137 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.5042178 0.0000000 0.0338924 0.0000000 2.4905397 0.0000000 0.0338910 0.0000000 2.5759500 -------------------------- Born effective charges -------------------------- 1 Sr 2.7382270 0.0000000 -0.0414949 0.0000000 2.7550858 0.0000000 0.1003883 -0.0000000 2.8814783 2 Sr 2.7382270 0.0000000 -0.0414949 0.0000000 2.7550858 0.0000000 0.1003883 -0.0000000 2.8814783 3 Ta 4.9214041 0.0000000 0.2561658 0.0000000 4.8369362 0.0000000 0.1128047 -0.0000000 5.2371798 4 Ta 4.9214041 0.0000000 0.2561658 0.0000000 4.8369362 0.0000000 0.1128047 -0.0000000 5.2371798 5 F -0.9503430 0.0000000 -0.6462005 0.0000000 -0.6090906 0.0000000 -0.6351948 -0.0000000 -1.8464225 6 F -0.9953632 -0.6795593 0.0518143 -0.6861031 -1.6119298 0.0664915 -0.0132337 -0.0459020 -0.6042019 7 F -0.9503430 0.0000000 -0.6462005 0.0000000 -0.6090906 0.0000000 -0.6351948 -0.0000000 -1.8464225 8 F -0.9953632 0.6795593 0.0518143 0.6861031 -1.6119298 -0.0664915 -0.0132337 0.0459020 -0.6042019 9 F -1.3415897 0.0000000 0.6177984 0.0000000 -0.5485861 0.0000000 0.7027915 -0.0000000 -1.3302649 10 F -1.1779527 -0.5102120 -0.3949098 -0.5044974 -1.2806387 -0.2911065 -0.3665587 -0.2386882 -1.0171946 11 F -1.1779527 0.5102120 -0.3949098 0.5044974 -1.2806387 0.2911065 -0.3665587 0.2386882 -1.0171946 12 F -1.1779527 0.5102120 -0.3949098 0.5044974 -1.2806387 0.2911065 -0.3665587 0.2386882 -1.0171946 13 F -0.9953632 0.6795593 0.0518143 0.6861031 -1.6119298 -0.0664915 -0.0132337 0.0459020 -0.6042019 14 F -1.3415897 0.0000000 0.6177984 0.0000000 -0.5485861 0.0000000 0.7027915 -0.0000000 -1.3302649 15 F -0.9953632 -0.6795593 0.0518143 -0.6861031 -1.6119298 0.0664915 -0.0132337 -0.0459020 -0.6042019 16 F -1.0210665 0.0000000 0.4999223 0.0000000 -0.6492080 0.0000000 0.4787953 -0.0000000 -1.6991775 17 F -1.1779527 -0.5102120 -0.3949098 -0.5044974 -1.2806387 -0.2911065 -0.3665587 -0.2386882 -1.0171946 18 F -1.0210665 0.0000000 0.4999223 0.0000000 -0.6492080 0.0000000 0.4787953 -0.0000000 -1.6991775 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000054 (xxx) 0.00000054 (xxx) 0.00000054 (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 ... [ 10 7 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.67, Number of G-points: 305, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/144) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 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 1.494 ( 0.000 0.000 0.000) 0.000 2.001 ( 0.000 0.000 0.000) 0.000 2.170 ( 0.000 0.000 0.000) 0.000 2.386 ( 0.000 0.000 0.000) 0.000 2.601 ( 0.000 0.000 0.000) 0.000 2.759 ( 0.000 0.000 0.000) 0.000 2.810 ( 0.000 0.000 0.000) 0.000 2.890 ( 0.000 0.000 0.000) 0.000 2.987 ( 0.000 0.000 0.000) 0.000 3.369 ( 0.000 0.000 0.000) 0.000 3.503 ( 0.000 0.000 0.000) 0.000 3.581 ( 0.000 0.000 0.000) 0.000 3.808 ( 0.000 0.000 0.000) 0.000 3.892 ( 0.000 0.000 0.000) 0.000 4.056 ( 0.000 0.000 0.000) 0.000 4.233 ( 0.000 0.000 0.000) 0.000 4.518 ( 0.000 0.000 0.000) 0.000 4.842 ( 0.000 0.000 0.000) 0.000 4.866 ( 0.000 0.000 0.000) 0.000 7.214 ( 0.000 0.000 0.000) 0.000 7.532 ( 0.000 0.000 0.000) 0.000 7.675 ( 0.000 0.000 0.000) 0.000 7.703 ( 0.000 0.000 0.000) 0.000 8.020 ( 0.000 0.000 0.000) 0.000 8.236 ( 0.000 0.000 0.000) 0.000 8.305 ( 0.000 0.000 0.000) 0.000 8.476 ( 0.000 0.000 0.000) 0.000 8.642 ( 0.000 0.000 0.000) 0.000 9.020 ( 0.000 0.000 0.000) 0.000 9.191 ( 0.000 0.000 0.000) 0.000 9.248 ( 0.000 0.000 0.000) 0.000 9.614 ( 0.000 0.000 0.000) 0.000 9.916 ( 0.000 0.000 0.000) 0.000 9.997 ( 0.000 0.000 0.000) 0.000 11.048 ( 0.000 0.000 0.000) 0.000 11.085 ( 0.000 0.000 0.000) 0.000 11.202 ( 0.000 0.000 0.000) 0.000 12.836 ( 0.000 0.000 0.000) 0.000 13.411 ( 0.000 0.000 0.000) 0.000 13.583 ( 0.000 0.000 0.000) 0.000 13.807 ( 0.000 0.000 0.000) 0.000 14.328 ( 0.000 0.000 0.000) 0.000 14.623 ( 0.000 0.000 0.000) 0.000 15.031 ( 0.000 0.000 0.000) 0.000 15.412 ( 0.000 0.000 0.000) 0.000 16.758 ( 0.000 0.000 0.000) 0.000 17.025 ( 0.000 0.000 0.000) 0.000 17.426 ( 0.000 0.000 0.000) 0.000 17.570 ( 0.000 0.000 0.000) 0.000 19.411 ( 0.000 0.000 0.000) 0.000 19.576 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/144) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.419 ( 20.057 0.000 3.422) 20.346 0.538 ( 24.462 0.000 21.443) 32.529 0.762 ( 35.712 0.000 4.457) 35.989 1.512 ( 1.604 0.000 -1.052) 1.918 2.100 ( 9.188 0.000 2.786) 9.601 2.229 ( 5.203 0.000 2.276) 5.679 2.427 ( 4.124 0.000 2.227) 4.687 2.633 ( 2.861 0.000 -0.463) 2.898 2.757 ( -1.500 0.000 0.509) 1.585 2.888 ( -0.223 0.000 -1.401) 1.418 2.908 ( 8.550 0.000 4.692) 9.752 3.039 ( 5.358 0.000 -1.353) 5.526 3.525 ( 1.784 0.000 1.300) 2.208 3.575 ( 0.100 0.000 -0.097) 0.139 3.830 ( 2.199 0.000 -2.969) 3.695 3.901 ( 1.203 0.000 1.995) 2.330 4.107 ( 4.451 0.000 3.019) 5.379 4.216 ( -1.374 0.000 -2.495) 2.848 4.464 ( 1.156 0.000 -45.459) 45.474 4.584 ( 6.334 0.000 -1.794) 6.583 4.842 ( -2.167 0.000 -0.923) 2.355 5.163 ( -6.361 0.000 42.826) 43.296 7.155 ( -5.484 0.000 -1.154) 5.604 7.521 ( -1.088 0.000 0.359) 1.146 7.727 ( 4.705 0.000 1.440) 4.921 7.968 ( -4.608 0.000 1.306) 4.789 8.153 ( 0.217 0.000 -31.349) 31.350 8.261 ( 2.117 0.000 -1.588) 2.646 8.498 ( 1.353 0.000 4.996) 5.176 8.699 ( 5.088 0.000 1.468) 5.295 8.728 ( 1.787 0.000 15.529) 15.632 8.992 ( -2.152 0.000 0.672) 2.255 9.169 ( -1.984 0.000 -1.268) 2.355 9.310 ( 3.326 0.000 -5.923) 6.793 9.600 ( -1.396 0.000 0.689) 1.557 10.005 ( 0.650 0.000 1.334) 1.483 10.061 ( -2.678 0.000 9.580) 9.947 11.037 ( -0.925 0.000 -0.709) 1.165 11.109 ( -3.599 0.000 0.211) 3.605 11.183 ( -2.092 0.000 1.359) 2.495 12.827 ( -0.859 0.000 0.241) 0.892 13.456 ( -4.873 0.000 -0.063) 4.874 13.705 ( 6.910 0.000 -0.306) 6.916 13.815 ( 0.771 0.000 -0.133) 0.782 14.363 ( 3.445 0.000 -3.425) 4.858 14.644 ( 0.072 0.000 -0.817) 0.820 15.418 ( 0.708 0.000 -6.520) 6.558 16.082 ( -8.331 0.000 76.221) 76.675 16.743 ( -1.258 0.000 0.531) 1.365 17.016 ( -0.854 0.000 0.271) 0.896 17.393 ( -3.085 0.000 -0.358) 3.105 18.717 ( 2.311 0.000 -45.712) 45.770 19.562 ( -1.316 0.000 1.245) 1.812 19.688 ( -0.509 0.000 -0.617) 0.800 ======================= Grid point 2 (3/144) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( 19.041 0.000 2.547) 19.211 1.052 ( 21.728 0.000 22.773) 31.476 1.450 ( 30.871 0.000 -4.161) 31.150 1.549 ( 2.104 0.000 -1.261) 2.452 2.339 ( 8.758 0.000 9.717) 13.082 2.388 ( 12.808 0.000 -4.150) 13.464 2.558 ( 7.824 0.000 -0.929) 7.879 2.704 ( 3.816 0.000 3.716) 5.326 2.721 ( -0.833 0.000 3.862) 3.951 2.868 ( -1.585 0.000 -1.497) 2.181 3.049 ( 2.947 0.000 3.745) 4.765 3.232 ( 12.600 0.000 3.547) 13.089 3.566 ( 1.800 0.000 1.494) 2.339 3.617 ( 4.188 0.000 -0.742) 4.253 3.856 ( 0.052 0.000 -1.313) 1.314 3.983 ( 6.736 0.000 0.426) 6.749 4.170 ( -1.511 0.000 -4.701) 4.938 4.241 ( 7.092 0.000 4.598) 8.453 4.397 ( -2.767 0.000 -15.461) 15.707 4.739 ( 5.759 0.000 -2.135) 6.142 4.788 ( -0.217 0.000 0.446) 0.496 5.075 ( -6.223 0.000 12.816) 14.247 7.003 ( -8.610 0.000 -2.000) 8.839 7.490 ( -2.045 0.000 0.550) 2.118 7.854 ( 6.791 0.000 2.789) 7.342 7.858 ( -5.940 0.000 1.975) 6.259 8.105 ( -0.788 0.000 -17.994) 18.011 8.305 ( 2.285 0.000 -2.157) 3.143 8.532 ( 0.945 0.000 5.366) 5.449 8.804 ( 3.822 0.000 1.438) 4.083 8.829 ( 6.542 0.000 2.476) 6.995 8.966 ( 0.201 0.000 1.922) 1.932 9.114 ( -2.751 0.000 -2.300) 3.586 9.359 ( 1.685 0.000 -3.544) 3.924 9.564 ( -2.251 0.000 1.513) 2.712 10.013 ( -2.421 0.000 0.190) 2.428 10.025 ( 0.986 0.000 2.019) 2.247 11.010 ( -1.442 0.000 -1.116) 1.823 11.013 ( -5.507 0.000 -0.072) 5.508 11.122 ( -3.956 0.000 2.294) 4.573 12.805 ( -1.302 0.000 0.389) 1.359 13.372 ( -3.373 0.000 0.747) 3.455 13.835 ( 1.130 0.000 -0.209) 1.149 13.853 ( 7.613 0.000 -0.057) 7.613 14.433 ( 3.256 0.000 -7.674) 8.337 14.674 ( 3.177 0.000 9.909) 10.406 15.400 ( -1.644 0.000 -10.859) 10.983 16.002 ( -8.109 0.000 35.337) 36.256 16.726 ( -0.074 0.000 0.631) 0.635 16.994 ( -1.294 0.000 0.435) 1.365 17.306 ( -5.103 0.000 -0.582) 5.136 18.683 ( -0.627 0.000 -17.955) 17.966 19.533 ( -1.623 0.000 1.649) 2.313 19.669 ( -1.245 0.000 -1.830) 2.213 ======================= Grid point 3 (4/144) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 16.182 0.000 1.301) 16.235 1.460 ( 13.767 0.000 21.405) 25.450 1.591 ( 2.007 0.000 -0.754) 2.144 1.999 ( 23.965 0.000 -12.110) 26.851 2.468 ( 3.946 0.000 2.825) 4.853 2.575 ( 3.044 0.000 -6.959) 7.596 2.689 ( 4.568 0.000 -6.837) 8.222 2.796 ( -0.186 0.000 0.813) 0.834 2.851 ( 4.837 0.000 8.693) 9.949 2.875 ( 14.773 0.000 14.774) 20.893 3.106 ( 3.909 0.000 4.537) 5.988 3.469 ( 8.339 0.000 6.029) 10.291 3.599 ( 1.252 0.000 0.885) 1.533 3.709 ( 3.758 0.000 -0.006) 3.758 3.826 ( -2.849 0.000 -1.104) 3.056 4.109 ( 1.748 0.000 -2.556) 3.096 4.175 ( 5.919 0.000 -2.380) 6.379 4.318 ( -2.936 0.000 -5.810) 6.509 4.413 ( 8.488 0.000 4.355) 9.540 4.679 ( -4.705 0.000 -5.339) 7.116 4.915 ( 0.193 0.000 6.042) 6.046 4.996 ( 3.197 0.000 -0.770) 3.288 6.815 ( -8.910 0.000 -2.247) 9.189 7.441 ( -2.693 0.000 0.582) 2.755 7.744 ( -5.155 0.000 1.847) 5.476 7.989 ( 5.230 0.000 4.133) 6.666 8.072 ( -0.005 0.000 -13.199) 13.199 8.345 ( 1.884 0.000 -1.881) 2.662 8.553 ( 0.644 0.000 3.933) 3.985 8.875 ( 3.415 0.000 -2.371) 4.157 8.937 ( 2.298 0.000 2.845) 3.658 9.018 ( 3.980 0.000 2.051) 4.478 9.076 ( 0.580 0.000 -2.772) 2.832 9.358 ( -1.223 0.000 -3.235) 3.458 9.507 ( -3.669 0.000 2.510) 4.445 9.977 ( -0.824 0.000 -2.665) 2.790 10.049 ( 0.916 0.000 1.894) 2.104 10.894 ( -5.794 0.000 -0.418) 5.809 10.979 ( -1.360 0.000 -1.077) 1.735 11.041 ( -3.979 0.000 2.654) 4.783 12.779 ( -1.217 0.000 0.387) 1.277 13.321 ( -1.833 0.000 1.266) 2.228 13.857 ( 1.005 0.000 -0.202) 1.025 14.014 ( 7.904 0.000 0.277) 7.909 14.454 ( 0.219 0.000 -4.720) 4.725 14.821 ( 9.272 0.000 8.213) 12.386 15.308 ( -5.466 0.000 -11.258) 12.515 15.857 ( -10.253 0.000 19.969) 22.447 16.752 ( 2.446 0.000 0.204) 2.455 16.970 ( -1.025 0.000 0.454) 1.121 17.194 ( -5.404 0.000 -0.607) 5.438 18.640 ( -1.538 0.000 -7.775) 7.925 19.506 ( -1.121 0.000 1.609) 1.961 19.634 ( -1.752 0.000 -2.057) 2.703 ======================= Grid point 4 (5/144) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 10.367 0.000 -0.323) 10.372 1.622 ( 0.944 0.000 0.472) 1.056 1.668 ( 4.509 0.000 12.436) 13.229 2.373 ( 10.860 0.000 -10.333) 14.991 2.508 ( 4.089 0.000 -3.074) 5.116 2.648 ( 4.359 0.000 2.391) 4.972 2.732 ( -1.152 0.000 -4.807) 4.944 2.746 ( -0.193 0.000 0.909) 0.930 3.021 ( 7.225 0.000 6.784) 9.911 3.119 ( 6.267 0.000 2.788) 6.859 3.260 ( 6.083 0.000 7.726) 9.833 3.593 ( 4.750 0.000 5.896) 7.572 3.621 ( 0.774 0.000 0.863) 1.160 3.744 ( -4.243 0.000 -2.614) 4.984 3.765 ( 2.288 0.000 2.647) 3.499 4.115 ( 0.443 0.000 -1.875) 1.926 4.268 ( -1.303 0.000 -2.409) 2.738 4.307 ( 5.177 0.000 -0.651) 5.218 4.544 ( -7.614 0.000 -5.179) 9.208 4.578 ( 6.345 0.000 2.693) 6.893 4.867 ( -1.330 0.000 0.423) 1.396 5.131 ( 5.677 0.000 0.569) 5.706 6.653 ( -6.024 0.000 -1.590) 6.230 7.388 ( -2.235 0.000 0.423) 2.274 7.664 ( -2.764 0.000 1.049) 2.957 8.048 ( 0.542 0.000 -2.291) 2.354 8.081 ( 1.804 0.000 -2.237) 2.874 8.374 ( 1.074 0.000 -1.073) 1.519 8.577 ( 1.177 0.000 2.264) 2.552 8.932 ( -1.424 0.000 0.713) 1.593 8.948 ( 3.874 0.000 -1.600) 4.191 9.105 ( 3.931 0.000 0.554) 3.970 9.125 ( 2.887 0.000 -0.699) 2.970 9.301 ( -3.853 0.000 -2.838) 4.786 9.435 ( -3.005 0.000 2.543) 3.936 9.966 ( -0.058 0.000 -2.085) 2.086 10.066 ( 0.533 0.000 1.126) 1.246 10.791 ( -3.779 0.000 -0.398) 3.800 10.955 ( -0.792 0.000 -0.646) 1.022 10.978 ( -2.338 0.000 1.811) 2.957 12.759 ( -0.718 0.000 0.239) 0.757 13.297 ( -0.712 0.000 1.008) 1.234 13.874 ( 0.566 0.000 -0.123) 0.579 14.164 ( 6.125 0.000 0.362) 6.135 14.447 ( -0.187 0.000 -0.914) 0.933 15.050 ( 11.455 0.000 2.787) 11.790 15.166 ( -5.947 0.000 -7.356) 9.459 15.652 ( -11.498 0.000 10.182) 15.358 16.809 ( 2.590 0.000 -0.155) 2.594 16.958 ( -0.147 0.000 0.346) 0.376 17.095 ( -3.844 0.000 -0.444) 3.869 18.602 ( -1.184 0.000 -2.810) 3.049 19.493 ( -0.374 0.000 1.230) 1.285 19.597 ( -1.419 0.000 -1.574) 2.119 ======================= Grid point 5 (6/144) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( 0.000 0.000 -0.000) 0.000 1.625 ( 0.000 0.000 -0.000) 0.000 1.718 ( 0.000 0.000 -0.000) 0.000 2.411 ( 0.000 0.000 -0.000) 0.000 2.634 ( 0.000 0.000 0.000) 0.000 2.694 ( 0.000 0.000 -0.000) 0.000 2.700 ( 0.000 0.000 -0.000) 0.000 2.756 ( 0.000 0.000 0.000) 0.000 3.111 ( 0.000 0.000 -0.000) 0.000 3.203 ( 0.000 0.000 -0.000) 0.000 3.274 ( -0.000 0.000 0.000) 0.000 3.632 ( 0.000 0.000 -0.000) 0.000 3.672 ( 0.000 0.000 -0.000) 0.000 3.686 ( 0.000 0.000 0.000) 0.000 3.812 ( 0.000 0.000 -0.000) 0.000 4.120 ( 0.000 0.000 -0.000) 0.000 4.256 ( 0.000 0.000 0.000) 0.000 4.362 ( 0.000 0.000 -0.000) 0.000 4.428 ( 0.000 0.000 0.000) 0.000 4.651 ( 0.000 0.000 -0.000) 0.000 4.860 ( 0.000 0.000 -0.000) 0.000 5.192 ( 0.000 0.000 0.000) 0.000 6.586 ( 0.000 0.000 0.000) 0.000 7.364 ( 0.000 0.000 -0.000) 0.000 7.637 ( 0.000 0.000 0.000) 0.000 8.051 ( 0.000 0.000 -0.000) 0.000 8.096 ( 0.000 0.000 0.000) 0.000 8.384 ( 0.000 0.000 -0.000) 0.000 8.595 ( 0.000 0.000 0.000) 0.000 8.916 ( 0.000 0.000 0.000) 0.000 8.997 ( 0.000 0.000 -0.000) 0.000 9.157 ( 0.000 0.000 -0.000) 0.000 9.167 ( 0.000 0.000 -0.000) 0.000 9.227 ( 0.000 0.000 0.000) 0.000 9.407 ( 0.000 0.000 -0.000) 0.000 9.964 ( 0.000 0.000 -0.000) 0.000 10.073 ( 0.000 0.000 -0.000) 0.000 10.750 ( 0.000 0.000 -0.000) 0.000 10.946 ( 0.000 0.000 -0.000) 0.000 10.955 ( 0.000 0.000 0.000) 0.000 12.752 ( 0.000 0.000 0.000) 0.000 13.291 ( 0.000 0.000 -0.000) 0.000 13.879 ( 0.000 0.000 -0.000) 0.000 14.234 ( 0.000 0.000 0.000) 0.000 14.446 ( 0.000 0.000 -0.000) 0.000 15.088 ( 0.000 0.000 0.000) 0.000 15.222 ( 0.000 0.000 -0.000) 0.000 15.491 ( -0.000 0.000 0.000) 0.000 16.838 ( 0.000 0.000 -0.000) 0.000 16.960 ( 0.000 0.000 -0.000) 0.000 17.051 ( 0.000 0.000 -0.000) 0.000 18.587 ( 0.000 0.000 -0.000) 0.000 19.492 ( 0.000 0.000 0.000) 0.000 19.579 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 11 (7/144) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.402 ( 0.000 20.138 0.000) 20.138 0.479 ( 0.000 23.699 0.000) 23.699 0.815 ( 0.000 39.771 0.000) 39.771 1.623 ( 0.000 11.987 0.000) 11.987 1.953 ( 0.000 -4.879 0.000) 4.879 2.060 ( 0.000 -9.258 0.000) 9.258 2.492 ( 0.000 9.962 0.000) 9.962 2.708 ( 0.000 -3.899 0.000) 3.899 2.742 ( 0.000 6.735 0.000) 6.735 2.796 ( 0.000 -1.223 0.000) 1.223 3.001 ( 0.000 1.437 0.000) 1.437 3.349 ( 0.000 -1.713 0.000) 1.713 3.513 ( 0.000 0.838 0.000) 0.838 3.567 ( 0.000 1.301 0.000) 1.301 3.575 ( 0.000 2.755 0.000) 2.755 3.782 ( 0.000 -5.110 0.000) 5.110 3.870 ( 0.000 0.434 0.000) 0.434 4.048 ( 0.000 -1.560 0.000) 1.560 4.493 ( 0.000 -2.533 0.000) 2.533 4.742 ( 0.000 -9.225 0.000) 9.225 4.839 ( 0.000 -0.130 0.000) 0.130 4.927 ( 0.000 0.913 0.000) 0.913 7.245 ( 0.000 3.038 0.000) 3.038 7.675 ( 0.000 -0.060 0.000) 0.060 7.706 ( 0.000 0.291 0.000) 0.291 8.035 ( 0.000 1.470 0.000) 1.470 8.085 ( 0.000 -7.108 0.000) 7.108 8.339 ( 0.000 3.361 0.000) 3.361 8.482 ( 0.000 1.623 0.000) 1.623 8.545 ( 0.000 -2.564 0.000) 2.564 8.743 ( 0.000 2.782 0.000) 2.782 9.066 ( 0.000 2.900 0.000) 2.900 9.148 ( 0.000 -3.829 0.000) 3.829 9.241 ( 0.000 -1.077 0.000) 1.077 9.543 ( 0.000 -5.240 0.000) 5.240 9.903 ( 0.000 -1.458 0.000) 1.458 10.253 ( 0.000 8.280 0.000) 8.280 11.015 ( 0.000 -3.110 0.000) 3.110 11.082 ( 0.000 -0.361 0.000) 0.361 11.192 ( 0.000 -0.985 0.000) 0.985 13.316 ( 0.000 0.508 0.000) 0.508 13.403 ( 0.000 -0.759 0.000) 0.759 13.593 ( 0.000 0.943 0.000) 0.943 13.791 ( 0.000 -1.528 0.000) 1.528 14.335 ( 0.000 0.772 0.000) 0.772 14.621 ( 0.000 -0.615 0.000) 0.615 15.032 ( 0.000 0.546 0.000) 0.546 15.397 ( 0.000 -1.519 0.000) 1.519 16.761 ( 0.000 0.367 0.000) 0.367 17.210 ( 0.000 -11.612 0.000) 11.612 17.853 ( 0.000 18.212 0.000) 18.212 19.162 ( 0.000 -3.776 0.000) 3.776 19.418 ( 0.000 0.688 0.000) 0.688 19.566 ( 0.000 -0.966 0.000) 0.966 ======================= Grid point 12 (8/144) ======================= q-point: ( 0.10 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( 13.413 13.289 5.247) 19.597 0.714 ( 18.199 15.520 14.530) 27.986 1.087 ( 22.300 27.111 2.083) 35.166 1.640 ( 1.354 10.797 -1.371) 10.968 2.039 ( 8.873 -5.385 -1.214) 10.450 2.105 ( 4.113 -8.610 4.822) 10.691 2.532 ( 3.634 9.405 0.065) 10.083 2.652 ( -2.878 -1.410 -4.854) 5.816 2.744 ( 0.546 5.316 2.880) 6.070 2.876 ( 7.162 -2.123 4.630) 8.789 3.042 ( 3.945 0.553 -1.298) 4.190 3.135 ( -1.471 12.106 3.003) 12.559 3.526 ( 2.168 0.049 -0.347) 2.196 3.577 ( 0.563 0.240 0.691) 0.923 3.790 ( 0.719 -5.871 -0.735) 5.960 3.848 ( 3.126 -3.879 -0.425) 4.999 4.050 ( 10.216 -7.238 -2.914) 12.855 4.097 ( 7.549 -0.416 1.294) 7.670 4.491 ( -7.852 -3.453 -13.793) 16.243 4.580 ( 4.556 -0.458 -13.943) 14.676 4.829 ( -2.120 -1.266 0.796) 2.594 5.005 ( -1.371 -8.104 27.169) 28.385 7.183 ( -5.571 2.888 -1.186) 6.387 7.627 ( -3.721 5.071 2.910) 6.930 7.727 ( 3.520 -0.002 1.683) 3.902 7.933 ( -5.867 -3.498 -0.408) 6.843 8.156 ( 3.410 -0.389 -7.748) 8.474 8.267 ( -0.353 3.317 -14.318) 14.702 8.581 ( 2.732 1.442 1.174) 3.305 8.639 ( 7.184 -0.781 3.230) 7.915 8.740 ( 0.270 0.794 12.619) 12.647 9.027 ( -2.316 2.777 -2.783) 4.563 9.134 ( -1.350 -3.353 -2.686) 4.503 9.275 ( 2.660 -2.659 -1.643) 4.105 9.540 ( -0.237 -4.092 0.331) 4.113 9.938 ( 0.977 -3.677 5.335) 6.552 10.207 ( -2.747 9.986 -0.229) 10.359 11.001 ( -1.311 -3.279 -0.843) 3.631 11.075 ( -1.819 -1.981 0.688) 2.776 11.172 ( -2.195 -1.054 0.764) 2.552 13.004 ( -10.102 10.804 -0.954) 14.822 13.427 ( -4.087 -2.587 0.684) 4.885 13.697 ( 7.201 -0.283 0.206) 7.210 13.810 ( 1.546 -0.627 -1.287) 2.107 14.371 ( 3.581 0.910 -3.333) 4.976 14.653 ( 0.726 0.500 -1.071) 1.388 15.380 ( 3.322 -6.134 -8.643) 11.107 15.516 ( 17.375 -20.825 37.522) 46.298 16.749 ( -0.981 0.638 0.404) 1.238 17.173 ( -3.493 -5.876 3.856) 7.848 17.668 ( -12.815 24.835 6.389) 28.667 18.863 ( -9.566 7.740 -26.928) 29.606 19.529 ( -0.031 -4.309 3.193) 5.363 19.591 ( 2.378 -4.360 0.431) 4.985 ======================= Grid point 13 (9/144) ======================= q-point: ( 0.20 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( 16.428 6.451 2.671) 17.850 1.148 ( 19.599 9.251 19.316) 29.031 1.586 ( 24.353 12.541 -3.707) 27.642 1.664 ( 1.295 10.432 -1.218) 10.582 2.198 ( 5.361 -12.135 -0.090) 13.267 2.304 ( 13.171 -5.204 2.054) 14.310 2.603 ( 2.299 -0.569 -2.841) 3.699 2.675 ( 7.360 5.718 5.286) 10.715 2.780 ( 2.420 6.490 3.407) 7.720 2.986 ( 2.289 0.816 3.803) 4.514 3.171 ( 1.659 9.453 0.937) 9.643 3.193 ( 9.865 0.879 2.552) 10.228 3.586 ( 3.170 1.028 2.410) 4.113 3.610 ( 2.942 -0.697 -0.177) 3.028 3.803 ( 0.478 -5.138 0.304) 5.169 3.939 ( 6.558 -4.098 -1.618) 7.900 4.131 ( 1.098 -4.039 -3.047) 5.177 4.222 ( 1.971 -1.808 2.949) 3.981 4.369 ( 0.359 -2.869 -10.962) 11.337 4.728 ( 6.898 -0.975 -2.701) 7.472 4.776 ( -1.006 -1.274 -0.040) 1.624 4.958 ( -4.996 -8.775 10.957) 14.900 7.031 ( -8.599 2.784 -1.980) 9.253 7.573 ( -2.350 6.600 2.521) 7.446 7.743 ( -4.726 -7.024 0.940) 8.518 7.896 ( 4.311 0.560 2.135) 4.843 8.166 ( 0.173 5.341 -14.714) 15.654 8.296 ( 3.402 0.164 -2.518) 4.236 8.614 ( -0.112 6.320 3.677) 7.313 8.756 ( 4.712 -4.499 2.018) 6.820 8.820 ( 4.883 0.218 4.754) 6.819 8.996 ( -0.060 1.334 -2.522) 2.854 9.096 ( -1.286 -1.289 -2.614) 3.186 9.314 ( 1.018 -4.232 -1.047) 4.477 9.533 ( -0.665 -1.725 0.641) 1.957 9.944 ( -0.565 -3.516 2.117) 4.143 10.163 ( -1.466 9.202 -0.725) 9.346 10.953 ( -3.418 -3.690 -1.760) 5.329 11.019 ( -3.051 -1.200 1.485) 3.599 11.107 ( -4.016 -1.252 1.157) 4.363 12.879 ( -3.772 6.288 0.170) 7.335 13.342 ( -3.798 -2.749 1.023) 4.799 13.836 ( 4.121 0.115 -0.378) 4.140 13.859 ( 5.579 0.431 -0.668) 5.636 14.446 ( 3.525 1.319 -7.547) 8.434 14.684 ( 2.866 0.798 8.693) 9.188 15.370 ( -1.650 -3.004 -10.794) 11.325 15.759 ( 2.017 -16.813 26.950) 31.829 16.738 ( 0.219 1.316 0.972) 1.650 17.103 ( -3.508 0.914 3.483) 5.027 17.452 ( -9.019 17.744 0.717) 19.918 18.707 ( -4.083 1.316 -15.740) 16.314 19.511 ( -1.358 -2.353 1.999) 3.373 19.608 ( -0.349 -4.569 -0.984) 4.687 ======================= Grid point 14 (10/144) ======================= q-point: ( 0.30 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 15.290 2.981 0.406) 15.583 1.505 ( 10.791 5.361 18.015) 21.673 1.695 ( 1.927 9.373 1.540) 9.692 2.034 ( 20.429 2.363 -11.396) 23.511 2.283 ( 2.850 -12.229 -1.722) 12.674 2.483 ( 5.653 -5.249 -1.364) 7.834 2.721 ( 4.977 -0.727 -2.767) 5.741 2.866 ( 5.662 3.526 7.710) 10.195 2.888 ( 11.238 7.749 4.786) 14.465 3.038 ( 2.455 6.284 2.418) 7.167 3.166 ( 1.425 9.521 6.585) 11.664 3.388 ( 7.095 -5.417 3.102) 9.450 3.645 ( 1.750 2.173 4.670) 5.440 3.677 ( 2.376 -4.188 0.581) 4.850 3.800 ( -1.087 -1.872 -0.268) 2.181 4.060 ( 2.088 -4.011 -4.755) 6.562 4.135 ( 5.184 -3.857 -2.578) 6.956 4.298 ( 3.062 -4.819 3.415) 6.653 4.394 ( 2.785 0.488 -2.127) 3.538 4.680 ( -4.679 0.101 -5.399) 7.145 4.855 ( -2.612 -5.879 4.015) 7.583 4.949 ( 8.158 -3.404 0.404) 8.849 6.845 ( -8.794 2.936 -2.160) 9.519 7.522 ( -3.293 6.926 1.733) 7.862 7.633 ( -4.562 -8.407 0.914) 9.608 8.007 ( 4.405 0.493 2.510) 5.094 8.155 ( 1.393 7.448 -10.929) 13.299 8.363 ( 3.146 1.715 -1.756) 3.990 8.600 ( -1.397 4.444 4.018) 6.152 8.845 ( 3.562 -4.637 1.752) 6.104 8.918 ( 4.219 0.430 0.746) 4.306 8.983 ( -1.217 -2.821 -4.316) 5.298 9.119 ( 3.725 2.777 -0.269) 4.654 9.314 ( -0.613 -4.164 -1.064) 4.342 9.500 ( -2.946 0.096 1.545) 3.328 9.937 ( -0.043 -3.014 -1.150) 3.227 10.143 ( -0.554 7.636 0.284) 7.662 10.856 ( -5.298 -3.261 -1.499) 6.399 10.972 ( -1.818 -1.264 1.373) 2.606 11.025 ( -3.832 -1.328 1.002) 4.177 12.821 ( -2.180 3.873 0.330) 4.457 13.281 ( -2.348 -3.606 1.281) 4.490 13.885 ( 2.085 2.440 -0.765) 3.300 14.011 ( 7.810 -0.255 0.157) 7.816 14.470 ( 0.184 1.597 -5.069) 5.318 14.819 ( 8.531 -0.461 7.474) 11.351 15.280 ( -5.273 -2.395 -9.957) 11.519 15.743 ( -5.913 -9.268 17.362) 20.550 16.767 ( 2.293 1.721 0.808) 2.979 17.049 ( -2.005 2.921 2.208) 4.175 17.287 ( -7.142 11.834 -1.226) 13.877 18.618 ( -2.949 -2.587 -7.678) 8.622 19.490 ( -0.873 -1.679 1.745) 2.575 19.586 ( -1.407 -3.972 -1.543) 4.487 ======================= Grid point 15 (11/144) ======================= q-point: ( 0.40 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 10.014 1.616 -1.681) 10.282 1.634 ( 1.768 2.599 5.555) 6.383 1.740 ( 0.908 6.065 7.137) 9.410 2.319 ( 3.149 -12.051 -2.215) 12.651 2.397 ( 14.494 0.791 -9.728) 17.474 2.600 ( 4.573 -3.635 2.231) 6.253 2.741 ( -1.140 -0.935 -3.697) 3.980 2.865 ( -3.955 7.066 2.200) 8.392 3.094 ( 8.100 6.621 2.180) 10.686 3.139 ( 4.994 2.521 2.195) 6.009 3.291 ( 3.866 3.876 8.441) 10.061 3.531 ( 8.121 -4.072 2.999) 9.567 3.646 ( -1.616 -1.285 3.053) 3.685 3.707 ( 0.201 -2.605 0.847) 2.747 3.768 ( -0.905 0.220 2.280) 2.463 4.072 ( 0.718 -3.447 -3.305) 4.829 4.250 ( 3.058 -2.366 -1.324) 4.086 4.316 ( 0.715 0.925 0.322) 1.212 4.488 ( 3.390 -7.861 0.714) 8.590 4.541 ( -5.945 -0.622 -4.759) 7.641 4.843 ( 1.001 -1.984 0.266) 2.238 5.103 ( 5.681 -2.704 0.777) 6.339 6.686 ( -5.891 3.231 -1.496) 6.883 7.447 ( -3.508 2.075 0.771) 4.148 7.578 ( -1.341 -3.383 0.834) 3.734 8.057 ( 0.886 0.774 -1.013) 1.552 8.191 ( 2.327 8.973 -3.481) 9.902 8.411 ( 1.575 3.328 -1.142) 3.855 8.586 ( -0.280 1.055 2.829) 3.032 8.902 ( 0.922 -2.639 3.264) 4.298 8.955 ( 1.058 -2.339 -5.679) 6.233 9.000 ( 2.641 -3.365 0.062) 4.277 9.197 ( 3.129 2.402 -0.194) 3.949 9.295 ( -0.914 -1.045 -1.456) 2.012 9.428 ( -3.727 0.477 2.197) 4.353 9.936 ( 0.112 -2.802 -1.602) 3.229 10.138 ( -0.046 6.431 0.700) 6.469 10.756 ( -3.795 -3.198 -0.912) 5.046 10.945 ( -1.025 -1.448 1.988) 2.664 10.963 ( -2.039 -1.064 -0.560) 2.367 12.787 ( -1.114 2.746 0.220) 2.972 13.249 ( -1.048 -4.360 0.935) 4.580 13.920 ( 1.308 4.095 -0.459) 4.323 14.160 ( 6.085 -0.429 0.317) 6.108 14.459 ( -0.393 1.297 -1.195) 1.807 15.017 ( 8.234 -4.235 0.255) 9.263 15.156 ( -3.717 0.184 -4.034) 5.489 15.603 ( -9.009 -4.348 9.255) 13.628 16.817 ( 2.026 1.366 0.337) 2.467 17.032 ( 0.126 2.666 1.608) 3.116 17.159 ( -4.935 9.631 -1.680) 10.952 18.562 ( -1.703 -4.378 -2.958) 5.551 19.482 ( -0.170 -1.170 1.414) 1.843 19.554 ( -1.322 -3.689 -1.440) 4.175 ======================= Grid point 16 (12/144) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( -0.000 1.471 0.000) 1.471 1.652 ( 0.000 1.892 0.000) 1.892 1.749 ( 0.000 3.470 -0.000) 3.470 2.360 ( 0.000 -5.578 -0.000) 5.578 2.547 ( 0.000 -7.152 0.000) 7.152 2.667 ( -0.000 -1.714 -0.000) 1.714 2.702 ( 0.000 0.198 -0.000) 0.198 2.823 ( 0.000 5.319 0.000) 5.319 3.187 ( 0.000 6.456 0.000) 6.456 3.211 ( 0.000 1.297 -0.000) 1.297 3.298 ( 0.000 2.816 0.000) 2.816 3.603 ( -0.000 -4.768 -0.000) 4.768 3.673 ( 0.000 1.424 -0.000) 1.424 3.693 ( 0.000 0.385 0.000) 0.385 3.785 ( 0.000 -2.659 0.000) 2.659 4.075 ( 0.000 -4.058 -0.000) 4.058 4.258 ( 0.000 0.021 0.000) 0.021 4.344 ( 0.000 -1.444 -0.000) 1.444 4.420 ( 0.000 -1.440 0.000) 1.440 4.561 ( 0.000 -7.201 -0.000) 7.201 4.859 ( 0.000 -0.426 -0.000) 0.426 5.164 ( 0.000 -2.750 0.000) 2.750 6.620 ( 0.000 3.396 0.000) 3.396 7.408 ( 0.000 0.242 0.000) 0.242 7.567 ( 0.000 -1.381 -0.000) 1.381 8.063 ( 0.000 1.142 -0.000) 1.142 8.213 ( 0.000 9.674 0.000) 9.674 8.425 ( 0.000 3.835 -0.000) 3.835 8.589 ( 0.000 -0.509 -0.000) 0.509 8.904 ( 0.000 -1.049 0.000) 1.049 8.976 ( 0.000 -5.462 -0.000) 5.462 9.029 ( 0.000 -3.178 0.000) 3.178 9.232 ( 0.000 0.362 -0.000) 0.362 9.279 ( 0.000 4.094 -0.000) 4.094 9.387 ( 0.000 -0.684 0.000) 0.684 9.936 ( 0.000 -2.784 -0.000) 2.784 10.139 ( 0.000 6.058 -0.000) 6.058 10.714 ( 0.000 -3.306 -0.000) 3.306 10.935 ( 0.000 -1.820 0.000) 1.820 10.943 ( 0.000 -0.572 0.000) 0.572 12.776 ( 0.000 2.400 0.000) 2.400 13.239 ( 0.000 -4.656 0.000) 4.656 13.934 ( 0.000 4.794 -0.000) 4.794 14.229 ( 0.000 -0.469 0.000) 0.469 14.455 ( 0.000 1.020 -0.000) 1.020 15.044 ( 0.000 -5.314 -0.000) 5.314 15.201 ( 0.000 -0.559 -0.000) 0.559 15.478 ( -0.000 -1.311 0.000) 1.311 16.839 ( 0.000 0.986 0.000) 0.986 17.047 ( -0.000 -0.416 -0.000) 0.416 17.095 ( 0.000 12.000 0.000) 12.000 18.542 ( 0.000 -4.867 -0.000) 4.867 19.483 ( 0.000 -0.839 0.000) 0.839 19.537 ( 0.000 -3.739 -0.000) 3.739 ======================= Grid point 22 (13/144) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( 0.000 19.165 0.000) 19.165 0.929 ( 0.000 21.429 0.000) 21.429 1.517 ( 0.000 25.347 0.000) 25.347 1.825 ( 0.000 -3.349 0.000) 3.349 1.864 ( 0.000 -9.812 0.000) 9.812 1.909 ( 0.000 15.233 0.000) 15.233 2.611 ( 0.000 -4.873 0.000) 4.873 2.714 ( 0.000 8.315 0.000) 8.315 2.783 ( 0.000 2.465 0.000) 2.465 2.878 ( 0.000 5.609 0.000) 5.609 3.050 ( 0.000 3.741 0.000) 3.741 3.303 ( 0.000 -3.741 0.000) 3.741 3.487 ( 0.000 -6.954 0.000) 6.954 3.506 ( 0.000 -4.592 0.000) 4.592 3.658 ( 0.000 -1.680 0.000) 1.680 3.708 ( 0.000 7.361 0.000) 7.361 3.905 ( 0.000 1.939 0.000) 1.939 4.038 ( 0.000 1.044 0.000) 1.044 4.415 ( 0.000 -5.272 0.000) 5.272 4.512 ( 0.000 -13.647 0.000) 13.647 4.843 ( 0.000 0.598 0.000) 0.598 4.925 ( 0.000 -0.934 0.000) 0.934 7.333 ( 0.000 5.872 0.000) 5.872 7.668 ( 0.000 -0.915 0.000) 0.915 7.715 ( 0.000 0.535 0.000) 0.535 7.920 ( 0.000 -8.778 0.000) 8.778 8.081 ( 0.000 3.258 0.000) 3.258 8.430 ( 0.000 -7.314 0.000) 7.314 8.432 ( 0.000 5.844 0.000) 5.844 8.540 ( 0.000 3.652 0.000) 3.652 8.856 ( 0.000 7.027 0.000) 7.027 9.055 ( 0.000 -5.204 0.000) 5.204 9.067 ( 0.000 -3.610 0.000) 3.610 9.199 ( 0.000 -3.183 0.000) 3.183 9.495 ( 0.000 1.773 0.000) 1.773 9.849 ( 0.000 -4.204 0.000) 4.204 10.440 ( 0.000 9.920 0.000) 9.920 10.929 ( 0.000 -5.481 0.000) 5.481 11.076 ( 0.000 0.002 0.000) 0.002 11.164 ( 0.000 -1.819 0.000) 1.819 13.329 ( 0.000 0.801 0.000) 0.801 13.384 ( 0.000 -1.036 0.000) 1.036 13.620 ( 0.000 1.730 0.000) 1.730 13.752 ( 0.000 -2.243 0.000) 2.243 14.361 ( 0.000 1.936 0.000) 1.936 14.581 ( 0.000 -3.506 0.000) 3.506 15.072 ( 0.000 3.675 0.000) 3.675 15.350 ( 0.000 -3.229 0.000) 3.229 16.776 ( 0.000 1.230 0.000) 1.230 17.017 ( 0.000 -7.961 0.000) 7.961 18.222 ( 0.000 18.458 0.000) 18.458 19.047 ( 0.000 -7.874 0.000) 7.874 19.438 ( 0.000 1.289 0.000) 1.289 19.540 ( 0.000 -1.638 0.000) 1.638 ======================= Grid point 23 (14/144) ======================= q-point: ( 0.10 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( 7.136 16.332 3.124) 18.095 1.066 ( 11.965 18.553 8.048) 23.498 1.601 ( 6.937 13.455 -1.406) 15.203 1.815 ( 3.545 9.452 -0.391) 10.103 1.930 ( 5.656 -8.851 7.118) 12.689 2.026 ( 7.259 8.826 -3.410) 11.926 2.600 ( -1.499 -3.116 -5.424) 6.432 2.725 ( 1.534 5.686 0.571) 5.917 2.847 ( 4.755 4.629 0.917) 6.699 2.899 ( 3.661 6.239 3.995) 8.264 3.076 ( 1.713 3.383 -0.797) 3.875 3.262 ( 1.644 0.764 5.012) 5.329 3.488 ( 0.939 -6.790 -0.785) 6.900 3.556 ( 3.588 -4.388 0.603) 5.700 3.663 ( 1.167 -1.445 2.356) 3.000 3.793 ( 1.925 -0.174 0.075) 1.935 3.974 ( 4.521 -2.028 -1.986) 5.338 4.125 ( 9.867 3.031 -0.147) 10.323 4.334 ( -10.219 -11.104 -5.399) 16.027 4.519 ( 5.651 -5.424 -3.453) 8.561 4.815 ( -2.494 0.314 0.638) 2.593 4.913 ( -2.715 -2.527 8.429) 9.209 7.268 ( -5.897 5.572 -1.016) 8.177 7.657 ( -1.844 -2.220 0.826) 3.002 7.735 ( 0.943 1.005 3.445) 3.711 7.845 ( -3.097 -4.461 0.053) 5.431 8.170 ( 5.884 2.222 0.338) 6.298 8.371 ( -1.539 5.879 -14.362) 15.595 8.498 ( 4.983 -5.549 0.559) 7.479 8.656 ( 7.628 0.822 5.873) 9.662 8.836 ( -2.191 6.841 5.164) 8.846 9.025 ( -1.959 -3.908 -8.565) 9.616 9.068 ( 0.158 -2.769 2.646) 3.833 9.208 ( 0.571 -3.995 1.818) 4.426 9.508 ( 1.282 1.885 -1.187) 2.570 9.858 ( 0.443 -4.794 1.322) 4.993 10.412 ( -2.314 10.352 -0.378) 10.614 10.913 ( -1.583 -5.621 -0.017) 5.839 11.050 ( -2.395 -0.356 0.210) 2.431 11.141 ( -2.253 -1.955 -0.034) 2.983 13.162 ( -9.272 5.586 -0.304) 10.829 13.369 ( -4.039 -3.032 1.161) 5.182 13.703 ( 6.482 0.873 -0.123) 6.542 13.790 ( 3.124 -1.336 -1.819) 3.854 14.401 ( 3.879 2.212 -2.745) 5.242 14.635 ( 3.086 -2.802 -1.113) 4.314 15.206 ( 9.160 -4.174 7.407) 12.498 15.373 ( 2.369 -3.719 5.528) 7.072 16.771 ( -0.275 1.720 0.554) 1.828 17.026 ( 0.708 -7.201 1.091) 7.317 18.109 ( -10.416 19.997 3.284) 22.785 18.903 ( -10.083 -3.640 -11.473) 15.702 19.455 ( 0.386 -1.542 2.708) 3.140 19.542 ( 0.082 -2.009 0.038) 2.011 ======================= Grid point 24 (15/144) ======================= q-point: ( 0.20 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 10.552 10.458 1.316) 14.915 1.388 ( 16.182 14.089 12.957) 25.064 1.746 ( 7.343 -4.245 -6.805) 10.874 1.931 ( 4.079 16.161 0.211) 16.670 2.073 ( 7.496 1.285 7.094) 10.400 2.195 ( 9.803 -1.790 -4.222) 10.823 2.588 ( 2.499 -0.975 -3.473) 4.389 2.785 ( 3.932 1.676 5.345) 6.843 2.938 ( 5.077 8.662 1.490) 10.150 3.028 ( 5.816 6.432 4.805) 9.914 3.137 ( 5.410 -0.622 0.287) 5.453 3.394 ( 7.352 3.971 4.241) 9.370 3.503 ( 0.191 -7.389 -1.758) 7.598 3.637 ( 1.853 2.360 5.000) 5.831 3.716 ( 3.694 -2.092 1.832) 4.624 3.826 ( 4.234 -6.569 -2.090) 8.090 4.034 ( 1.776 -4.970 -3.978) 6.609 4.115 ( -7.060 -9.542 0.323) 11.874 4.347 ( 9.078 2.092 -1.105) 9.381 4.679 ( 9.081 -5.034 0.174) 10.384 4.752 ( -3.040 -0.150 -1.689) 3.481 4.831 ( -5.828 -3.473 3.934) 7.842 7.112 ( -8.591 5.355 -1.660) 10.259 7.573 ( -6.223 -8.237 -0.074) 10.324 7.714 ( -1.751 5.443 4.581) 7.326 7.892 ( 5.303 -0.822 2.396) 5.877 8.281 ( 4.366 5.012 -3.898) 7.705 8.342 ( 1.376 5.290 -10.661) 11.980 8.617 ( 5.907 -5.443 1.412) 8.156 8.778 ( -2.348 5.175 2.152) 6.076 8.818 ( 4.870 -0.692 5.314) 7.241 8.970 ( -1.752 -2.827 -8.027) 8.689 9.092 ( 2.254 0.168 0.971) 2.460 9.219 ( 0.055 -4.702 2.337) 5.251 9.534 ( 1.021 2.203 -1.157) 2.690 9.862 ( -0.088 -4.912 -0.081) 4.914 10.359 ( -2.502 10.171 -0.156) 10.475 10.863 ( -3.304 -5.660 -0.767) 6.599 10.990 ( -3.285 -0.953 1.421) 3.704 11.075 ( -3.959 -2.019 -0.363) 4.459 13.008 ( -5.875 6.083 0.194) 8.459 13.275 ( -4.614 -3.785 1.167) 6.081 13.841 ( 6.332 0.445 -0.713) 6.388 13.866 ( 4.992 0.175 -1.483) 5.210 14.485 ( 4.012 2.648 -6.700) 8.246 14.688 ( 2.744 -1.012 4.528) 5.391 15.295 ( -0.094 -3.500 -5.784) 6.761 15.495 ( 5.064 -9.456 17.943) 20.905 16.779 ( 1.088 2.776 1.177) 3.206 17.041 ( 0.340 -4.924 1.897) 5.288 17.859 ( -13.089 20.493 1.563) 24.367 18.684 ( -8.952 -4.596 -10.710) 14.695 19.454 ( -0.526 -2.164 2.040) 3.020 19.536 ( -0.702 -2.793 -0.126) 2.883 ======================= Grid point 25 (16/144) ======================= q-point: ( 0.30 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( 11.881 4.551 -2.046) 12.886 1.675 ( 7.399 10.360 13.788) 18.767 1.887 ( 6.760 -1.449 -5.293) 8.707 1.947 ( 0.224 2.119 0.614) 2.218 2.262 ( 8.761 7.839 -4.335) 12.530 2.366 ( 8.526 -6.898 0.527) 10.979 2.666 ( 3.078 -3.768 -2.263) 5.366 2.904 ( 6.105 0.005 6.222) 8.717 3.089 ( 8.604 9.907 2.039) 13.279 3.153 ( 5.688 9.066 3.676) 11.316 3.254 ( 6.139 -3.594 1.014) 7.186 3.442 ( -3.428 7.809 1.255) 8.620 3.518 ( 1.684 -6.871 4.446) 8.356 3.644 ( 0.073 -3.451 5.103) 6.161 3.777 ( 1.229 -0.735 3.105) 3.419 3.984 ( 6.031 -3.422 -3.842) 7.928 4.024 ( 4.741 -7.212 -3.514) 9.319 4.140 ( 4.868 -8.903 6.117) 11.848 4.438 ( -0.369 3.164 -2.776) 4.225 4.673 ( -6.974 -1.817 -4.783) 8.650 4.744 ( 1.766 -3.310 1.032) 3.891 4.877 ( 8.765 -3.941 0.970) 9.659 6.930 ( -8.470 5.635 -1.741) 10.322 7.433 ( -6.803 -9.978 -0.018) 12.077 7.700 ( -0.503 8.701 3.971) 9.578 8.003 ( 4.464 -1.046 2.200) 5.085 8.324 ( 2.681 9.066 -10.262) 13.953 8.409 ( 4.209 2.824 -1.372) 5.251 8.705 ( -4.115 4.063 4.484) 7.318 8.728 ( 4.373 -4.915 1.214) 6.689 8.886 ( 0.662 -5.066 -5.014) 7.159 8.953 ( 1.432 0.401 -1.398) 2.041 9.162 ( 3.864 1.362 -0.039) 4.097 9.224 ( 0.520 -3.994 2.209) 4.593 9.531 ( -1.374 3.163 -0.231) 3.456 9.860 ( 0.080 -4.799 -1.836) 5.139 10.315 ( -1.805 9.217 0.577) 9.409 10.775 ( -4.896 -5.030 -1.504) 7.179 10.934 ( -2.298 -1.791 2.749) 4.005 10.993 ( -3.557 -1.944 -1.045) 4.186 12.913 ( -3.569 5.039 0.318) 6.183 13.196 ( -3.200 -4.655 1.096) 5.754 13.937 ( 4.154 2.478 -1.524) 5.071 14.005 ( 7.493 -0.361 -0.273) 7.507 14.517 ( 0.298 3.159 -5.574) 6.414 14.786 ( 5.757 -3.193 3.342) 7.383 15.244 ( -3.331 -0.305 -3.787) 5.053 15.558 ( -1.302 -8.763 13.515) 16.159 16.819 ( 2.397 3.412 1.313) 4.371 17.043 ( -0.438 -2.328 2.030) 3.120 17.614 ( -10.375 18.573 -0.863) 21.292 18.515 ( -6.120 -8.305 -6.773) 12.341 19.447 ( -0.336 -1.961 1.601) 2.554 19.514 ( -1.321 -2.971 -0.437) 3.281 ======================= Grid point 26 (17/144) ======================= q-point: ( 0.40 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 9.538 1.391 -5.831) 11.265 1.740 ( -1.517 6.652 9.222) 11.471 1.883 ( -2.442 7.882 2.895) 8.744 2.071 ( 8.037 -10.902 -3.149) 13.906 2.425 ( 4.790 -0.593 -4.273) 6.446 2.515 ( 5.378 -4.716 1.514) 7.311 2.697 ( 2.064 -1.117 -1.360) 2.713 2.965 ( -1.398 2.445 1.445) 3.165 3.193 ( 4.187 4.233 -1.266) 6.087 3.293 ( 5.576 11.283 1.982) 12.741 3.400 ( -0.831 4.325 4.384) 6.214 3.443 ( 6.886 -4.069 3.415) 8.697 3.539 ( 3.632 -5.219 2.953) 7.011 3.666 ( 1.181 -2.737 2.998) 4.228 3.776 ( -1.905 0.124 5.648) 5.962 4.000 ( -0.456 -4.125 -4.847) 6.382 4.183 ( 5.959 -3.981 -0.344) 7.175 4.264 ( 4.823 -8.172 6.221) 11.346 4.381 ( -2.808 0.500 -5.351) 6.063 4.519 ( -6.017 -1.830 -4.673) 7.835 4.815 ( 3.479 -0.201 -0.089) 3.486 5.029 ( 5.475 -4.583 0.776) 7.183 6.779 ( -5.536 6.142 -1.156) 8.349 7.314 ( -4.388 -10.264 0.094) 11.163 7.701 ( 0.051 10.225 2.333) 10.488 8.068 ( 1.815 -0.147 0.164) 1.829 8.380 ( 3.567 9.386 -5.748) 11.570 8.477 ( 2.386 2.918 -0.232) 3.777 8.632 ( -3.266 3.674 3.535) 6.055 8.794 ( 1.797 -7.538 0.234) 7.752 8.879 ( 0.175 -2.941 -4.643) 5.499 8.985 ( 1.145 -1.291 0.778) 1.893 9.216 ( 1.721 0.001 -1.458) 2.255 9.261 ( 2.109 -1.685 1.937) 3.322 9.485 ( -2.585 4.991 0.314) 5.629 9.858 ( -0.001 -5.018 -1.696) 5.297 10.289 ( -0.774 8.230 0.839) 8.309 10.678 ( -3.785 -4.484 -1.168) 5.983 10.903 ( -1.212 -2.191 2.817) 3.769 10.936 ( -1.705 -1.863 -1.677) 3.031 12.859 ( -1.777 4.247 0.216) 4.609 13.148 ( -1.572 -5.337 0.713) 5.609 14.009 ( 2.824 4.390 -0.990) 5.313 14.147 ( 5.871 -0.831 0.055) 5.929 14.502 ( -0.750 3.118 -1.880) 3.717 14.883 ( 2.343 -8.322 -2.767) 9.078 15.195 ( 0.096 3.466 1.066) 3.627 15.503 ( -4.859 -5.405 7.529) 10.465 16.864 ( 1.507 3.159 0.855) 3.603 17.035 ( -0.430 -1.215 1.415) 1.914 17.447 ( -5.451 17.214 -1.517) 18.120 18.414 ( -2.969 -10.738 -3.078) 11.558 19.448 ( 0.211 -1.952 1.394) 2.408 19.485 ( -1.309 -2.694 -0.829) 3.108 ======================= Grid point 27 (18/144) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( -0.000 4.086 0.000) 4.086 1.678 ( 0.000 1.106 -0.000) 1.106 1.860 ( 0.000 6.988 0.000) 6.988 2.194 ( 0.000 -10.427 -0.000) 10.427 2.392 ( 0.000 -7.497 -0.000) 7.497 2.609 ( -0.000 -4.630 0.000) 4.630 2.732 ( 0.000 3.295 0.000) 3.295 2.935 ( -0.000 4.635 -0.000) 4.635 3.268 ( 0.000 4.344 -0.000) 4.344 3.330 ( 0.000 7.161 -0.000) 7.161 3.392 ( 0.000 6.566 -0.000) 6.566 3.468 ( 0.000 -6.865 -0.000) 6.865 3.683 ( 0.000 -1.976 -0.000) 1.976 3.704 ( 0.000 1.003 -0.000) 1.003 3.712 ( -0.000 -3.958 0.000) 3.958 3.977 ( 0.000 -5.679 -0.000) 5.679 4.239 ( 0.000 -2.116 -0.000) 2.116 4.325 ( -0.000 -7.440 -0.000) 7.440 4.332 ( 0.000 0.766 0.000) 0.766 4.459 ( 0.000 -2.770 0.000) 2.770 4.853 ( 0.000 0.453 0.000) 0.453 5.088 ( 0.000 -4.775 -0.000) 4.775 6.718 ( 0.000 6.410 0.000) 6.410 7.268 ( 0.000 -10.337 -0.000) 10.337 7.704 ( 0.000 10.796 0.000) 10.796 8.085 ( 0.000 0.544 0.000) 0.544 8.420 ( -0.000 10.344 0.000) 10.344 8.501 ( 0.000 2.352 -0.000) 2.352 8.598 ( 0.000 2.733 -0.000) 2.733 8.810 ( 0.000 -8.985 -0.000) 8.985 8.879 ( 0.000 -1.413 0.000) 1.413 8.998 ( 0.000 -2.379 0.000) 2.379 9.237 ( 0.000 0.191 -0.000) 0.191 9.284 ( 0.000 -1.792 -0.000) 1.792 9.453 ( 0.000 6.263 0.000) 6.263 9.856 ( 0.000 -5.149 -0.000) 5.149 10.283 ( 0.000 7.824 0.000) 7.824 10.635 ( 0.000 -4.345 -0.000) 4.345 10.893 ( 0.000 -2.165 0.000) 2.165 10.918 ( 0.000 -1.889 0.000) 1.889 12.841 ( 0.000 3.974 0.000) 3.974 13.133 ( 0.000 -5.596 0.000) 5.596 14.039 ( 0.000 5.290 -0.000) 5.290 14.214 ( 0.000 -1.048 0.000) 1.048 14.492 ( 0.000 2.848 -0.000) 2.848 14.888 ( 0.000 -9.248 -0.000) 9.248 15.225 ( 0.000 2.596 0.000) 2.596 15.438 ( -0.000 -2.731 -0.000) 2.731 16.880 ( 0.000 2.851 0.000) 2.851 17.032 ( 0.000 -1.214 -0.000) 1.214 17.390 ( 0.000 16.990 -0.000) 16.990 18.382 ( 0.000 -11.439 -0.000) 11.439 19.460 ( -0.000 -1.347 -0.000) 1.347 19.461 ( 0.000 -3.162 0.000) 3.162 ======================= Grid point 33 (19/144) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 0.000 17.218 0.000) 17.218 1.319 ( 0.000 17.794 0.000) 17.794 1.468 ( 0.000 -14.096 0.000) 14.096 1.630 ( 0.000 -13.551 0.000) 13.551 2.147 ( 0.000 15.211 0.000) 15.211 2.165 ( 0.000 8.991 0.000) 8.991 2.562 ( 0.000 2.511 0.000) 2.511 2.699 ( 0.000 -5.573 0.000) 5.573 2.951 ( 0.000 7.992 0.000) 7.992 2.961 ( 0.000 3.638 0.000) 3.638 3.117 ( 0.000 0.441 0.000) 0.441 3.154 ( 0.000 -9.328 0.000) 9.328 3.343 ( 0.000 -4.486 0.000) 4.486 3.372 ( 0.000 -5.284 0.000) 5.284 3.784 ( 0.000 10.251 0.000) 10.251 3.833 ( 0.000 4.241 0.000) 4.241 3.933 ( 0.000 1.674 0.000) 1.674 4.053 ( 0.000 -3.356 0.000) 3.356 4.259 ( 0.000 -7.338 0.000) 7.338 4.296 ( 0.000 -6.089 0.000) 6.089 4.864 ( 0.000 1.501 0.000) 1.501 4.897 ( 0.000 -1.679 0.000) 1.679 7.471 ( 0.000 7.742 0.000) 7.742 7.614 ( 0.000 -5.421 0.000) 5.421 7.729 ( 0.000 1.078 0.000) 1.078 7.776 ( 0.000 -4.611 0.000) 4.611 8.165 ( 0.000 5.212 0.000) 5.212 8.286 ( 0.000 -6.874 0.000) 6.874 8.552 ( 0.000 5.397 0.000) 5.397 8.599 ( 0.000 1.162 0.000) 1.162 8.961 ( 0.000 -2.346 0.000) 2.346 8.962 ( 0.000 -3.353 0.000) 3.353 9.003 ( 0.000 4.988 0.000) 4.988 9.116 ( 0.000 -5.127 0.000) 5.127 9.594 ( 0.000 6.977 0.000) 6.977 9.737 ( 0.000 -6.877 0.000) 6.877 10.631 ( 0.000 9.221 0.000) 9.221 10.799 ( 0.000 -7.594 0.000) 7.594 11.089 ( 0.000 1.296 0.000) 1.296 11.124 ( 0.000 -2.064 0.000) 2.064 13.346 ( 0.000 0.883 0.000) 0.883 13.364 ( 0.000 -0.959 0.000) 0.959 13.659 ( 0.000 2.221 0.000) 2.221 13.706 ( 0.000 -2.388 0.000) 2.388 14.414 ( 0.000 3.484 0.000) 3.484 14.496 ( 0.000 -4.566 0.000) 4.566 15.166 ( 0.000 5.371 0.000) 5.371 15.270 ( 0.000 -4.817 0.000) 4.817 16.814 ( 0.000 2.769 0.000) 2.769 16.890 ( 0.000 -4.973 0.000) 4.973 18.567 ( 0.000 16.075 0.000) 16.075 18.849 ( 0.000 -12.198 0.000) 12.198 19.468 ( 0.000 1.718 0.000) 1.718 19.504 ( 0.000 -1.873 0.000) 1.873 ======================= Grid point 34 (20/144) ======================= q-point: ( 0.10 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 3.857 15.602 0.274) 16.074 1.417 ( 8.893 16.403 5.740) 19.522 1.485 ( 2.156 -12.751 -2.369) 13.147 1.710 ( 7.432 -12.881 5.564) 15.878 2.174 ( 3.157 13.602 -1.733) 14.070 2.246 ( 5.811 7.632 -1.482) 9.706 2.572 ( 0.510 3.439 -2.204) 4.116 2.713 ( 1.278 -5.165 0.362) 5.333 2.963 ( 1.940 4.851 0.448) 5.244 3.036 ( 5.849 4.298 1.193) 7.356 3.152 ( 1.119 -0.562 1.103) 1.669 3.190 ( 5.750 -1.031 1.182) 5.960 3.345 ( 1.865 -4.074 3.237) 5.528 3.401 ( 3.150 -8.489 2.618) 9.425 3.766 ( -1.761 10.050 2.265) 10.451 3.848 ( 0.516 3.783 -0.232) 3.826 3.933 ( 0.460 -2.337 -3.883) 4.555 4.038 ( -5.440 -13.333 -2.905) 14.690 4.256 ( 5.485 5.596 1.086) 7.911 4.390 ( 6.897 -7.116 0.937) 9.954 4.836 ( -2.673 1.583 0.256) 3.117 4.871 ( -2.867 -1.892 2.254) 4.109 7.400 ( -6.308 7.527 -0.888) 9.861 7.553 ( -5.857 -7.372 -0.724) 9.443 7.758 ( 2.108 1.198 3.156) 3.980 7.785 ( 1.970 -1.769 1.921) 3.271 8.240 ( 5.884 4.622 0.722) 7.517 8.347 ( 4.957 -5.894 0.043) 7.702 8.538 ( 0.449 7.052 -10.000) 12.245 8.648 ( 3.657 -2.841 -2.032) 5.057 8.926 ( -1.937 0.926 3.558) 4.155 8.969 ( -1.472 -2.293 3.483) 4.422 9.024 ( 2.533 2.532 -0.965) 3.709 9.120 ( 0.446 -5.002 0.465) 5.043 9.602 ( 0.881 6.674 -1.546) 6.907 9.742 ( 0.422 -6.830 -0.710) 6.880 10.609 ( -2.088 9.398 0.266) 9.631 10.780 ( -1.868 -7.759 0.463) 7.994 11.061 ( -2.557 1.363 -0.300) 2.913 11.098 ( -2.410 -2.222 -0.420) 3.305 13.248 ( -6.865 3.473 0.401) 7.704 13.310 ( -5.146 -2.955 0.911) 6.003 13.728 ( 5.529 1.536 -0.798) 5.794 13.760 ( 4.482 -1.640 -1.453) 4.989 14.462 ( 4.260 3.892 -1.944) 6.089 14.552 ( 4.436 -4.934 -1.251) 6.752 15.211 ( 3.417 3.188 4.612) 6.566 15.292 ( 1.783 -4.408 3.680) 6.013 16.820 ( 0.634 3.283 0.575) 3.392 16.903 ( 1.238 -5.170 0.602) 5.350 18.469 ( -9.114 16.259 0.078) 18.639 18.746 ( -8.924 -11.472 -3.800) 15.023 19.461 ( -0.642 1.561 0.690) 1.823 19.500 ( -0.450 -2.148 0.118) 2.197 ======================= Grid point 35 (21/144) ======================= q-point: ( 0.20 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 5.740 12.451 -1.867) 13.837 1.544 ( 4.035 -11.947 -3.957) 13.217 1.677 ( 14.093 13.820 6.962) 20.930 1.933 ( 12.420 -11.450 6.813) 18.214 2.220 ( 0.286 11.913 -1.396) 11.998 2.345 ( 2.960 3.454 -1.183) 4.700 2.590 ( 2.620 5.420 -2.593) 6.555 2.749 ( 2.667 -5.256 1.745) 6.147 3.043 ( 5.463 2.803 2.134) 6.501 3.133 ( 3.474 -4.249 1.655) 5.733 3.238 ( 6.005 11.088 2.169) 12.795 3.313 ( 5.413 1.623 1.338) 5.808 3.447 ( 5.822 -3.230 4.197) 7.870 3.544 ( 9.607 -11.157 3.333) 15.096 3.743 ( -0.119 4.567 6.501) 7.946 3.806 ( -5.428 2.527 -6.479) 8.822 3.917 ( -1.142 -7.139 0.966) 7.294 3.943 ( 0.943 -4.881 -1.914) 5.327 4.430 ( 8.579 5.634 1.364) 10.354 4.555 ( 7.930 -6.674 1.981) 10.553 4.764 ( -3.529 1.037 -2.002) 4.188 4.789 ( -4.784 -1.437 -0.398) 5.011 7.240 ( -8.514 7.471 -1.229) 11.394 7.402 ( -8.050 -8.653 -0.819) 11.847 7.807 ( 2.060 3.727 4.758) 6.385 7.864 ( 4.455 -2.070 3.591) 6.085 8.366 ( 5.978 4.368 0.269) 7.409 8.440 ( 3.779 -0.546 -5.103) 6.373 8.559 ( 3.018 3.974 -6.895) 8.511 8.707 ( 2.317 -7.805 -8.806) 11.993 8.893 ( -2.346 3.989 7.185) 8.546 8.941 ( -1.015 -0.922 2.122) 2.527 9.090 ( 3.725 0.755 1.750) 4.184 9.139 ( 1.371 -3.493 0.573) 3.796 9.619 ( 0.883 5.976 -2.178) 6.421 9.748 ( 0.326 -6.481 -1.801) 6.735 10.555 ( -3.019 9.411 0.603) 9.901 10.728 ( -3.215 -7.897 0.564) 8.544 10.993 ( -3.744 1.214 -0.106) 3.937 11.030 ( -3.889 -2.293 -0.763) 4.579 13.113 ( -5.962 4.654 0.503) 7.580 13.198 ( -5.383 -4.008 0.888) 6.770 13.853 ( 6.488 0.645 -1.162) 6.623 13.864 ( 5.799 -0.377 -1.570) 6.020 14.551 ( 4.145 3.988 -4.762) 7.467 14.635 ( 3.581 -4.010 -1.152) 5.499 15.276 ( 1.484 1.854 3.377) 4.128 15.353 ( 2.755 -5.500 9.853) 11.616 16.848 ( 1.933 4.134 1.203) 4.720 16.940 ( 1.978 -5.048 1.313) 5.578 18.230 ( -12.994 16.803 -1.075) 21.268 18.517 ( -11.652 -11.860 -5.205) 17.422 19.447 ( -0.788 1.191 1.015) 1.752 19.486 ( -0.966 -2.374 0.341) 2.586 ======================= Grid point 36 (22/144) ======================= q-point: ( 0.30 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( 7.525 8.476 -4.735) 12.283 1.629 ( 5.083 -11.268 -5.552) 13.551 1.952 ( 9.465 12.008 8.120) 17.312 2.133 ( -1.535 2.111 6.283) 6.803 2.229 ( 7.668 -0.933 -1.157) 7.811 2.352 ( -0.612 -3.115 -0.980) 3.323 2.667 ( 4.704 7.159 -2.057) 8.809 2.848 ( 5.576 -6.925 2.329) 9.191 3.185 ( 7.228 -1.582 0.705) 7.433 3.194 ( 3.201 -1.675 0.334) 3.628 3.345 ( 3.289 5.893 4.736) 8.245 3.433 ( 6.590 11.029 1.159) 12.900 3.516 ( -0.138 -7.420 5.816) 9.428 3.650 ( -0.017 -0.090 0.801) 0.806 3.735 ( 1.351 0.332 6.523) 6.670 3.856 ( 5.321 -7.145 -0.200) 8.911 3.956 ( 5.088 -0.019 -2.558) 5.695 4.002 ( 5.863 -4.669 3.498) 8.271 4.512 ( -2.210 4.171 -1.801) 5.053 4.598 ( -5.108 -4.483 -2.010) 7.087 4.743 ( 3.863 1.904 -1.503) 4.562 4.799 ( 6.703 -3.593 -0.232) 7.609 7.065 ( -8.010 7.910 -1.146) 11.315 7.239 ( -7.437 -9.459 -0.587) 12.047 7.855 ( 1.897 6.681 4.679) 8.374 7.958 ( 3.939 -3.647 3.644) 6.489 8.475 ( 4.151 3.783 -1.199) 5.743 8.493 ( 3.362 6.202 -8.974) 11.415 8.618 ( 2.606 -2.433 -0.945) 3.688 8.713 ( -0.101 -6.900 -8.928) 11.285 8.857 ( -1.578 4.096 4.040) 5.966 8.934 ( -0.593 -2.732 4.260) 5.095 9.173 ( 3.735 -0.040 1.359) 3.975 9.177 ( 2.205 -0.801 0.375) 2.376 9.624 ( -0.266 5.902 -1.804) 6.177 9.748 ( 0.028 -6.274 -2.400) 6.718 10.494 ( -2.868 8.694 0.906) 9.199 10.653 ( -3.966 -7.208 0.187) 8.229 10.921 ( -3.016 0.583 0.567) 3.124 10.951 ( -3.418 -2.106 -1.009) 4.140 13.011 ( -4.057 4.781 0.461) 6.287 13.104 ( -3.826 -4.621 0.748) 6.046 13.976 ( 5.871 1.438 -1.534) 6.236 13.996 ( 6.904 -0.619 -0.962) 6.998 14.595 ( 0.907 4.638 -5.054) 6.919 14.696 ( 2.504 -5.335 -2.285) 6.321 15.286 ( -0.639 4.359 4.407) 6.231 15.402 ( 0.123 -7.010 9.629) 11.911 16.896 ( 2.282 4.213 1.583) 5.047 16.979 ( 1.350 -3.898 1.787) 4.495 17.975 ( -10.870 17.396 -2.281) 20.639 18.289 ( -9.152 -14.042 -4.624) 17.387 19.434 ( -0.615 0.654 1.010) 1.351 19.464 ( -1.112 -2.130 0.386) 2.434 ======================= Grid point 37 (23/144) ======================= q-point: ( 0.40 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 8.356 5.632 -6.882) 12.202 1.734 ( 5.167 -7.983 -3.879) 10.270 2.009 ( -6.135 6.019 5.587) 10.251 2.045 ( -2.191 4.850 5.061) 7.344 2.347 ( -0.735 -3.599 -1.239) 3.877 2.403 ( 6.780 -6.740 0.192) 9.562 2.769 ( 4.822 7.342 0.697) 8.812 2.926 ( 1.462 -6.661 1.389) 6.960 3.263 ( 5.385 3.258 -1.934) 6.584 3.348 ( 6.330 -4.685 -1.100) 7.951 3.422 ( 4.124 3.293 4.268) 6.787 3.499 ( -1.001 0.279 6.446) 6.530 3.575 ( 4.884 8.692 -2.971) 10.404 3.653 ( 0.222 3.818 4.865) 6.188 3.750 ( -1.275 -2.458 6.971) 7.501 3.862 ( -1.811 -10.192 -3.447) 10.911 4.118 ( 7.202 -1.345 1.222) 7.427 4.141 ( 5.680 -3.368 3.113) 7.300 4.419 ( -4.359 2.487 -4.109) 6.486 4.471 ( -5.195 -2.715 -4.244) 7.236 4.846 ( 4.399 3.258 -0.107) 5.475 4.932 ( 5.012 -4.990 0.379) 7.083 6.925 ( -5.091 8.484 -0.702) 9.919 7.110 ( -4.672 -10.030 -0.290) 11.069 7.896 ( 1.364 8.743 3.013) 9.348 8.028 ( 2.344 -4.312 2.083) 5.332 8.521 ( 1.882 4.441 -6.186) 7.844 8.562 ( 2.921 5.255 -1.408) 6.175 8.649 ( 0.519 -4.174 0.490) 4.234 8.689 ( -1.006 -1.858 -4.081) 4.595 8.850 ( 0.379 1.628 0.885) 1.891 8.926 ( -0.603 -4.311 3.107) 5.348 9.220 ( 1.894 0.598 -0.724) 2.114 9.236 ( 1.980 -0.991 1.213) 2.525 9.606 ( -0.993 6.821 -0.974) 6.961 9.742 ( -0.302 -6.597 -1.658) 6.809 10.447 ( -1.720 7.410 0.800) 7.649 10.578 ( -3.006 -5.752 -0.156) 6.491 10.877 ( -1.417 -0.192 0.957) 1.721 10.896 ( -1.697 -1.836 -1.013) 2.698 12.949 ( -2.065 4.725 0.285) 5.164 13.045 ( -1.943 -5.026 0.457) 5.407 14.082 ( 4.289 2.903 -0.989) 5.273 14.125 ( 5.317 -1.518 -0.482) 5.550 14.586 ( -0.726 5.456 -2.666) 6.116 14.718 ( 0.090 -7.776 -3.124) 8.380 15.283 ( 0.020 5.207 3.883) 6.495 15.393 ( -1.779 -5.697 5.842) 8.352 16.933 ( 0.921 3.521 1.182) 3.827 16.996 ( 0.163 -2.684 1.335) 3.002 17.801 ( -5.476 18.039 -1.987) 18.956 18.144 ( -4.424 -16.033 -2.693) 16.849 19.427 ( -0.236 0.009 0.727) 0.764 19.444 ( -0.816 -1.566 0.143) 1.771 ======================= Grid point 38 (24/144) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 0.000 3.591 0.000) 3.591 1.746 ( 0.000 3.252 -0.000) 3.252 1.955 ( -0.000 0.752 0.000) 0.752 1.997 ( 0.000 -7.364 -0.000) 7.364 2.328 ( 0.000 3.314 -0.000) 3.314 2.475 ( 0.000 -8.597 0.000) 8.597 2.826 ( 0.000 5.696 0.000) 5.696 2.937 ( -0.000 -4.446 -0.000) 4.446 3.373 ( -0.000 6.069 0.000) 6.069 3.418 ( 0.000 1.824 0.000) 1.824 3.424 ( 0.000 1.624 -0.000) 1.624 3.497 ( 0.000 -1.613 -0.000) 1.613 3.651 ( 0.000 4.348 -0.000) 4.348 3.680 ( 0.000 1.011 -0.000) 1.011 3.697 ( -0.000 -1.600 0.000) 1.600 3.836 ( 0.000 -8.921 0.000) 8.921 4.196 ( 0.000 -1.509 -0.000) 1.509 4.207 ( 0.000 -3.294 -0.000) 3.294 4.364 ( 0.000 2.117 0.000) 2.117 4.410 ( 0.000 -2.411 -0.000) 2.411 4.893 ( 0.000 3.596 0.000) 3.596 4.985 ( 0.000 -5.287 -0.000) 5.287 6.870 ( 0.000 8.757 0.000) 8.757 7.060 ( 0.000 -10.254 -0.000) 10.254 7.914 ( 0.000 9.495 0.000) 9.495 8.055 ( 0.000 -4.292 -0.000) 4.292 8.536 ( 0.000 2.899 -0.000) 2.899 8.593 ( -0.000 4.919 0.000) 4.919 8.653 ( 0.000 -4.828 0.000) 4.828 8.671 ( 0.000 1.856 -0.000) 1.856 8.858 ( 0.000 0.383 -0.000) 0.383 8.922 ( 0.000 -4.734 0.000) 4.734 9.242 ( 0.000 0.422 -0.000) 0.422 9.256 ( -0.000 -1.004 0.000) 1.004 9.593 ( 0.000 7.419 0.000) 7.419 9.736 ( 0.000 -6.835 -0.000) 6.835 10.430 ( 0.000 6.697 0.000) 6.697 10.544 ( 0.000 -4.984 -0.000) 4.984 10.864 ( 0.000 -0.462 0.000) 0.462 10.878 ( 0.000 -1.731 -0.000) 1.731 12.928 ( 0.000 4.702 0.000) 4.702 13.026 ( 0.000 -5.178 0.000) 5.178 14.130 ( 0.000 3.687 -0.000) 3.687 14.185 ( 0.000 -2.012 0.000) 2.012 14.574 ( 0.000 5.492 -0.000) 5.492 14.710 ( 0.000 -8.221 0.000) 8.221 15.292 ( 0.000 3.936 0.000) 3.936 15.372 ( -0.000 -3.855 -0.000) 3.855 16.941 ( 0.000 3.143 0.000) 3.143 16.997 ( 0.000 -2.329 -0.000) 2.329 17.745 ( 0.000 18.337 -0.000) 18.337 18.097 ( 0.000 -16.699 -0.000) 16.699 19.426 ( 0.000 -0.468 -0.000) 0.468 19.435 ( 0.000 -1.097 0.000) 1.097 ======================= Grid point 77 (25/144) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.507 ( 0.660 0.000 22.808) 22.818 0.509 ( -3.186 0.000 23.523) 23.738 0.890 ( 15.562 0.000 39.393) 42.356 1.559 ( -1.491 0.000 5.693) 5.885 2.036 ( -0.033 0.000 0.381) 0.382 2.211 ( 2.417 0.000 -10.520) 10.794 2.279 ( 2.911 0.000 10.353) 10.754 2.721 ( 0.675 0.000 1.845) 1.964 2.818 ( 1.677 0.000 6.526) 6.738 2.903 ( -2.398 0.000 5.095) 5.631 2.948 ( 4.090 0.000 -0.510) 4.122 3.116 ( -0.702 0.000 8.381) 8.410 3.374 ( -11.246 0.000 -1.603) 11.360 3.450 ( 1.663 0.000 -4.541) 4.836 3.610 ( 1.243 0.000 2.729) 2.999 3.771 ( -2.650 0.000 -3.106) 4.083 3.890 ( 2.040 0.000 0.217) 2.052 4.084 ( 3.004 0.000 1.662) 3.433 4.215 ( -2.567 0.000 -1.555) 3.002 4.482 ( 0.117 0.000 -7.583) 7.584 4.865 ( -1.058 0.000 -0.516) 1.177 5.815 ( 6.224 0.000 -11.611) 13.174 7.236 ( -1.291 0.000 2.161) 2.517 7.608 ( -0.094 0.000 6.722) 6.723 7.680 ( 1.308 0.000 0.335) 1.351 7.732 ( -9.927 0.000 0.296) 9.932 8.037 ( 1.782 0.000 1.275) 2.191 8.222 ( -2.274 0.000 -1.161) 2.553 8.504 ( 0.397 0.000 2.539) 2.570 8.627 ( 1.683 0.000 -1.377) 2.174 8.957 ( -6.243 0.000 -3.101) 6.971 9.017 ( 9.237 0.000 -1.415) 9.345 9.055 ( -0.153 0.000 -11.234) 11.235 9.407 ( -10.254 0.000 0.419) 10.262 9.573 ( 0.440 0.000 -3.535) 3.562 10.094 ( 0.560 0.000 7.601) 7.622 10.162 ( 12.340 0.000 -0.040) 12.340 11.024 ( -0.568 0.000 -2.172) 2.245 11.067 ( -0.818 0.000 -1.542) 1.745 11.198 ( 1.131 0.000 -0.464) 1.222 12.839 ( 0.215 0.000 0.273) 0.347 13.432 ( -0.636 0.000 1.883) 1.987 13.610 ( 1.903 0.000 2.225) 2.928 13.804 ( -0.111 0.000 -0.279) 0.300 14.288 ( 6.304 0.000 -4.432) 7.706 14.598 ( -10.823 0.000 -12.415) 16.470 15.624 ( -7.510 0.000 14.397) 16.238 16.394 ( 73.154 0.000 -2.784) 73.207 16.823 ( 6.670 0.000 5.547) 8.675 17.042 ( 0.179 0.000 1.543) 1.554 17.402 ( -0.219 0.000 -2.116) 2.127 18.745 ( -59.777 0.000 -0.102) 59.777 19.544 ( 7.867 0.000 -0.005) 7.867 19.578 ( 0.459 0.000 0.159) 0.486 ======================= Grid point 78 (26/144) ======================= q-point: ( 0.10 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( 11.854 0.000 16.871) 20.619 0.742 ( 19.496 0.000 11.743) 22.759 1.360 ( 20.733 0.000 32.602) 38.636 1.555 ( 0.335 0.000 4.964) 4.976 2.092 ( 6.224 0.000 -2.766) 6.811 2.282 ( 5.722 0.000 -9.823) 11.368 2.406 ( 6.798 0.000 11.667) 13.503 2.755 ( 2.199 0.000 1.272) 2.540 2.852 ( -1.393 0.000 5.593) 5.764 2.891 ( 0.491 0.000 6.369) 6.388 3.021 ( 5.758 0.000 2.478) 6.269 3.081 ( 7.336 0.000 9.965) 12.374 3.507 ( 3.867 0.000 -2.775) 4.760 3.579 ( 3.466 0.000 -0.701) 3.536 3.735 ( 0.070 0.000 -5.284) 5.284 3.801 ( 20.305 0.000 -9.830) 22.560 3.941 ( 2.783 0.000 1.517) 3.170 4.144 ( -3.298 0.000 -2.851) 4.360 4.183 ( 5.476 0.000 2.220) 5.909 4.534 ( 5.336 0.000 -6.772) 8.622 4.817 ( -3.183 0.000 -1.581) 3.553 5.525 ( -20.889 0.000 -4.949) 21.467 7.154 ( -6.603 0.000 1.337) 6.737 7.603 ( -1.454 0.000 6.978) 7.128 7.762 ( 5.762 0.000 -3.916) 6.967 7.768 ( 6.282 0.000 -0.285) 6.288 8.011 ( -4.224 0.000 2.728) 5.028 8.212 ( 1.612 0.000 -3.075) 3.472 8.562 ( 3.889 0.000 2.833) 4.811 8.714 ( 6.362 0.000 -0.174) 6.364 8.820 ( -5.286 0.000 -2.116) 5.694 9.017 ( -1.709 0.000 -11.395) 11.523 9.155 ( 2.123 0.000 3.232) 3.867 9.221 ( -3.821 0.000 0.425) 3.845 9.576 ( 0.420 0.000 -2.508) 2.543 10.119 ( 0.653 0.000 7.885) 7.912 10.167 ( -6.900 0.000 0.865) 6.954 11.000 ( -1.303 0.000 -2.663) 2.965 11.049 ( -1.391 0.000 -3.891) 4.133 11.183 ( -2.124 0.000 -0.755) 2.254 12.834 ( -0.745 0.000 0.364) 0.829 13.409 ( -1.732 0.000 -1.167) 2.088 13.717 ( 6.436 0.000 1.846) 6.695 13.810 ( 0.728 0.000 -0.321) 0.796 14.326 ( -0.455 0.000 0.467) 0.652 14.584 ( 7.107 0.000 -11.635) 13.633 15.480 ( -7.327 0.000 11.505) 13.641 16.732 ( -2.338 0.000 0.238) 2.350 17.038 ( -0.817 0.000 1.710) 1.895 17.364 ( -3.107 0.000 -2.293) 3.862 17.542 ( -46.765 0.000 40.863) 62.103 17.745 ( 39.489 0.000 -30.995) 50.201 19.578 ( -0.447 0.000 0.355) 0.571 19.608 ( 0.112 0.000 -3.531) 3.532 ======================= Grid point 79 (27/144) ======================= q-point: ( 0.20 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( 14.603 0.000 10.801) 18.163 1.212 ( 24.283 0.000 -0.377) 24.286 1.586 ( 1.817 0.000 4.614) 4.959 1.758 ( 12.812 0.000 23.694) 26.936 2.255 ( 8.460 0.000 -6.112) 10.436 2.401 ( 6.976 0.000 -8.943) 11.342 2.527 ( 2.345 0.000 6.030) 6.470 2.794 ( 1.168 0.000 -1.673) 2.040 2.892 ( 7.150 0.000 9.485) 11.878 2.950 ( 3.920 0.000 10.653) 11.351 3.168 ( 5.967 0.000 7.312) 9.438 3.336 ( 13.634 0.000 7.078) 15.362 3.567 ( 1.785 0.000 -1.171) 2.135 3.641 ( 4.221 0.000 2.405) 4.858 3.757 ( 1.976 0.000 -6.759) 7.042 4.016 ( 4.359 0.000 0.560) 4.395 4.076 ( -1.447 0.000 -2.878) 3.222 4.096 ( 9.428 0.000 -9.537) 13.410 4.320 ( 7.109 0.000 2.455) 7.521 4.598 ( -1.054 0.000 -9.912) 9.968 4.801 ( 4.782 0.000 -0.999) 4.885 5.140 ( -15.290 0.000 -6.593) 16.651 6.988 ( -9.233 0.000 0.862) 9.273 7.572 ( -2.652 0.000 6.864) 7.358 7.839 ( 3.020 0.000 -6.679) 7.330 7.901 ( -6.363 0.000 1.783) 6.608 7.929 ( 8.440 0.000 3.857) 9.279 8.259 ( 2.945 0.000 -2.111) 3.623 8.629 ( 1.327 0.000 4.148) 4.355 8.765 ( 0.585 0.000 -3.069) 3.124 8.859 ( 7.071 0.000 0.284) 7.077 8.957 ( -2.095 0.000 -11.075) 11.271 9.103 ( -2.570 0.000 7.490) 7.919 9.265 ( 2.518 0.000 -5.169) 5.749 9.585 ( 0.576 0.000 0.410) 0.706 10.020 ( -6.497 0.000 0.670) 6.532 10.142 ( 0.343 0.000 7.652) 7.660 10.966 ( -1.440 0.000 -2.882) 3.222 10.981 ( -4.590 0.000 -2.645) 5.297 11.121 ( -3.446 0.000 -1.808) 3.891 12.813 ( -1.329 0.000 0.298) 1.362 13.369 ( -1.822 0.000 -0.280) 1.843 13.830 ( 1.173 0.000 -0.259) 1.202 13.858 ( 7.185 0.000 0.717) 7.221 14.346 ( 2.183 0.000 -1.420) 2.604 14.719 ( 7.205 0.000 -7.819) 10.632 15.363 ( -5.816 0.000 8.833) 10.576 16.637 ( -9.822 0.000 8.740) 13.148 16.924 ( -19.136 0.000 27.433) 33.448 17.016 ( -1.446 0.000 1.626) 2.177 17.276 ( -4.878 0.000 -2.131) 5.324 18.225 ( 15.215 0.000 -22.328) 27.020 19.557 ( -1.460 0.000 0.682) 1.612 19.588 ( -1.116 0.000 -4.329) 4.471 ======================= Grid point 80 (28/144) ======================= q-point: ( 0.30 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 12.925 0.000 6.840) 14.624 1.641 ( 2.789 0.000 5.307) 5.995 1.702 ( 23.218 0.000 -10.227) 25.371 1.943 ( 2.363 0.000 18.197) 18.350 2.359 ( 3.133 0.000 -7.533) 8.158 2.525 ( 6.025 0.000 -7.660) 9.746 2.572 ( 3.293 0.000 0.645) 3.356 2.795 ( -0.788 0.000 -0.543) 0.957 3.064 ( 4.963 0.000 9.666) 10.865 3.135 ( 10.812 0.000 8.423) 13.706 3.250 ( 1.716 0.000 8.491) 8.663 3.585 ( 0.668 0.000 -2.896) 2.972 3.598 ( 10.151 0.000 5.915) 11.748 3.735 ( -3.347 0.000 -5.308) 6.275 3.751 ( 4.858 0.000 3.070) 5.747 4.071 ( 3.047 0.000 -2.468) 3.921 4.156 ( 6.736 0.000 1.228) 6.847 4.195 ( 2.417 0.000 -4.026) 4.696 4.472 ( 7.163 0.000 0.987) 7.231 4.508 ( -4.102 0.000 -10.565) 11.333 4.864 ( -6.848 0.000 -10.117) 12.217 4.977 ( 7.020 0.000 -0.799) 7.066 6.800 ( -8.758 0.000 1.024) 8.818 7.517 ( -3.603 0.000 6.261) 7.224 7.774 ( -5.812 0.000 0.817) 5.869 7.884 ( 2.481 0.000 -4.560) 5.191 8.099 ( 6.945 0.000 5.767) 9.028 8.317 ( 2.870 0.000 -0.729) 2.961 8.639 ( -0.297 0.000 4.168) 4.179 8.818 ( 4.374 0.000 -1.962) 4.794 8.879 ( -2.273 0.000 -9.414) 9.685 9.013 ( 6.115 0.000 -0.968) 6.191 9.099 ( 0.939 0.000 4.328) 4.429 9.271 ( -0.923 0.000 -4.551) 4.644 9.583 ( -1.718 0.000 4.185) 4.524 9.931 ( -1.804 0.000 -1.268) 2.205 10.155 ( -0.221 0.000 7.081) 7.084 10.868 ( -5.613 0.000 -1.911) 5.930 10.936 ( -0.959 0.000 -2.797) 2.957 11.044 ( -3.666 0.000 -2.041) 4.196 12.784 ( -1.371 0.000 0.104) 1.375 13.337 ( -1.419 0.000 0.386) 1.471 13.854 ( 1.111 0.000 -0.124) 1.118 14.012 ( 7.604 0.000 -0.268) 7.609 14.389 ( 1.877 0.000 -2.321) 2.985 14.863 ( 8.049 0.000 -5.281) 9.627 15.265 ( -4.912 0.000 8.416) 9.745 16.311 ( -20.754 0.000 18.822) 28.018 16.800 ( -0.196 0.000 5.565) 5.569 16.989 ( -1.325 0.000 1.313) 1.866 17.169 ( -4.986 0.000 -1.678) 5.261 18.403 ( 6.233 0.000 -13.759) 15.104 19.529 ( -1.276 0.000 0.597) 1.409 19.554 ( -1.291 0.000 -4.552) 4.732 ======================= Grid point 81 (29/144) ======================= q-point: ( 0.40 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 7.733 0.000 4.271) 8.834 1.708 ( 2.344 0.000 6.787) 7.180 1.858 ( -5.979 0.000 -0.826) 6.036 2.170 ( 17.358 0.000 -0.792) 17.376 2.412 ( 3.738 0.000 -5.910) 6.993 2.613 ( 3.387 0.000 -5.541) 6.494 2.667 ( 5.652 0.000 -1.790) 5.928 2.774 ( -0.740 0.000 1.097) 1.323 3.142 ( -6.751 0.000 -0.630) 6.780 3.146 ( 0.906 0.000 3.905) 4.008 3.368 ( 3.732 0.000 1.485) 4.017 3.591 ( 0.475 0.000 -6.492) 6.509 3.654 ( -2.261 0.000 -0.618) 2.344 3.736 ( 1.587 0.000 7.329) 7.499 3.835 ( 2.799 0.000 2.302) 3.624 4.140 ( 3.026 0.000 2.687) 4.047 4.223 ( 1.169 0.000 -1.144) 1.636 4.284 ( 5.075 0.000 -1.312) 5.242 4.412 ( -2.835 0.000 -6.399) 6.999 4.595 ( 4.103 0.000 -1.161) 4.264 4.777 ( 0.184 0.000 -7.051) 7.053 5.112 ( 4.870 0.000 -2.722) 5.579 6.656 ( -4.927 0.000 1.951) 5.300 7.451 ( -3.408 0.000 4.950) 6.010 7.678 ( -3.474 0.000 0.492) 3.508 7.932 ( 2.763 0.000 -2.361) 3.635 8.217 ( 3.532 0.000 7.622) 8.400 8.369 ( 2.160 0.000 0.555) 2.230 8.638 ( -0.607 0.000 3.916) 3.963 8.826 ( -1.206 0.000 -9.275) 9.353 8.925 ( 5.783 0.000 -0.171) 5.786 9.112 ( 3.458 0.000 -1.008) 3.602 9.137 ( 2.087 0.000 1.356) 2.489 9.227 ( -2.363 0.000 -3.069) 3.873 9.529 ( -3.752 0.000 5.735) 6.853 9.931 ( 1.424 0.000 -1.236) 1.885 10.154 ( -0.891 0.000 6.354) 6.416 10.767 ( -3.430 0.000 -1.664) 3.813 10.921 ( -0.096 0.000 -2.452) 2.454 10.970 ( -3.067 0.000 -2.241) 3.798 12.760 ( -0.941 0.000 -0.144) 0.952 13.309 ( -1.336 0.000 0.152) 1.345 13.873 ( 0.694 0.000 0.030) 0.695 14.154 ( 5.774 0.000 -1.168) 5.891 14.408 ( 0.402 0.000 -3.057) 3.083 15.029 ( 8.187 0.000 -1.221) 8.278 15.212 ( -0.639 0.000 7.984) 8.010 15.907 ( -20.561 0.000 12.143) 23.879 16.834 ( 1.955 0.000 2.794) 3.410 16.971 ( -0.556 0.000 0.850) 1.016 17.079 ( -3.301 0.000 -1.062) 3.468 18.474 ( 3.032 0.000 -9.029) 9.524 19.498 ( -1.696 0.000 -1.370) 2.180 19.538 ( 0.411 0.000 -2.681) 2.713 ======================= Grid point 82 (30/144) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 1.487 0.000 3.766) 4.048 1.683 ( -9.941 0.000 -3.498) 10.539 1.726 ( -2.267 0.000 7.371) 7.711 2.404 ( 5.360 0.000 -0.502) 5.384 2.494 ( 3.868 0.000 -6.931) 7.937 2.656 ( 2.140 0.000 -2.912) 3.614 2.762 ( 0.037 0.000 0.207) 0.210 2.781 ( 1.016 0.000 1.001) 1.426 3.010 ( 0.088 0.000 -12.398) 12.398 3.083 ( -6.755 0.000 -3.304) 7.520 3.318 ( -8.576 0.000 -0.794) 8.613 3.587 ( 0.459 0.000 -4.205) 4.230 3.671 ( 2.920 0.000 0.972) 3.078 3.712 ( -5.954 0.000 2.883) 6.615 3.797 ( -4.646 0.000 0.364) 4.660 4.189 ( 1.182 0.000 4.984) 5.122 4.239 ( 1.159 0.000 -1.799) 2.140 4.344 ( 0.831 0.000 -1.549) 1.758 4.461 ( 7.077 0.000 2.489) 7.502 4.610 ( -2.571 0.000 -3.620) 4.440 4.794 ( 1.205 0.000 -4.526) 4.683 5.150 ( -0.712 0.000 -4.277) 4.336 6.623 ( 1.419 0.000 3.273) 3.567 7.410 ( -0.866 0.000 3.754) 3.853 7.634 ( -0.964 0.000 0.210) 0.987 7.983 ( 2.086 0.000 -0.936) 2.287 8.278 ( 1.532 0.000 9.668) 9.788 8.405 ( 1.027 0.000 1.745) 2.025 8.615 ( -2.339 0.000 3.023) 3.822 8.805 ( 0.552 0.000 -8.981) 8.998 9.004 ( 0.557 0.000 0.368) 0.667 9.146 ( 0.041 0.000 -1.606) 1.607 9.170 ( -1.458 0.000 -3.042) 3.373 9.215 ( 4.634 0.000 2.719) 5.373 9.466 ( -2.875 0.000 4.697) 5.507 9.970 ( 2.231 0.000 0.301) 2.251 10.139 ( -1.433 0.000 5.663) 5.841 10.734 ( 0.525 0.000 -1.375) 1.472 10.917 ( -1.610 0.000 -3.180) 3.564 10.925 ( 0.813 0.000 -1.938) 2.102 12.747 ( -0.206 0.000 -0.353) 0.409 13.284 ( -1.010 0.000 -0.564) 1.157 13.881 ( 0.107 0.000 0.144) 0.180 14.210 ( -0.732 0.000 -2.406) 2.515 14.415 ( 1.451 0.000 -2.078) 2.534 15.177 ( 6.102 0.000 7.165) 9.411 15.256 ( -0.212 0.000 3.258) 3.265 15.552 ( -11.624 0.000 5.150) 12.714 16.861 ( -0.184 0.000 2.083) 2.091 16.963 ( -0.516 0.000 0.285) 0.590 17.047 ( 0.621 0.000 -0.390) 0.733 18.519 ( 2.993 0.000 -6.319) 6.992 19.466 ( -1.013 0.000 -2.282) 2.496 19.556 ( 1.598 0.000 -1.712) 2.342 ======================= Grid point 83 (31/144) ======================= q-point: (-0.40 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( -13.552 0.000 -7.854) 15.663 1.536 ( -10.467 0.000 5.927) 12.028 1.687 ( -1.450 0.000 5.811) 5.990 2.397 ( -5.678 0.000 -5.417) 7.847 2.517 ( -2.116 0.000 -4.571) 5.037 2.693 ( 0.229 0.000 4.207) 4.213 2.702 ( 2.378 0.000 -2.149) 3.205 2.787 ( -2.533 0.000 -4.914) 5.528 2.921 ( -5.626 0.000 1.254) 5.764 2.985 ( -17.397 0.000 -5.700) 18.307 3.134 ( 0.657 0.000 -5.152) 5.193 3.507 ( -9.713 0.000 -1.078) 9.773 3.587 ( -0.283 0.000 -2.448) 2.465 3.741 ( 3.273 0.000 -0.698) 3.347 3.767 ( 0.076 0.000 2.439) 2.441 4.211 ( 0.377 0.000 5.266) 5.279 4.257 ( 0.870 0.000 -4.450) 4.534 4.309 ( -4.135 0.000 -0.294) 4.145 4.487 ( -8.075 0.000 -5.583) 9.817 4.625 ( 7.268 0.000 2.508) 7.689 4.799 ( 0.108 0.000 -3.498) 3.500 5.075 ( -5.509 0.000 -5.073) 7.488 6.716 ( 6.670 0.000 4.059) 7.807 7.431 ( 2.100 0.000 3.788) 4.331 7.640 ( 1.622 0.000 -0.724) 1.776 7.996 ( -1.048 0.000 -0.841) 1.344 8.326 ( 1.805 0.000 11.543) 11.683 8.415 ( -0.394 0.000 2.648) 2.677 8.556 ( -3.486 0.000 2.032) 4.035 8.817 ( 1.738 0.000 -8.770) 8.940 8.968 ( -3.131 0.000 0.149) 3.134 9.109 ( -4.011 0.000 -0.194) 4.016 9.112 ( -2.747 0.000 -2.489) 3.707 9.342 ( 5.506 0.000 1.564) 5.724 9.440 ( 0.203 0.000 2.749) 2.756 10.013 ( 1.526 0.000 1.967) 2.490 10.115 ( -1.655 0.000 5.242) 5.497 10.783 ( 4.220 0.000 -1.113) 4.364 10.901 ( 0.832 0.000 -4.710) 4.783 10.947 ( 1.500 0.000 -1.419) 2.065 12.751 ( 0.608 0.000 -0.447) 0.754 13.272 ( 0.119 0.000 -1.096) 1.102 13.877 ( -0.515 0.000 0.181) 0.546 14.130 ( -5.777 0.000 -2.678) 6.367 14.469 ( 3.706 0.000 0.719) 3.776 15.023 ( -16.916 0.000 0.843) 16.937 15.316 ( 5.776 0.000 2.704) 6.377 15.590 ( 8.185 0.000 7.535) 11.125 16.827 ( -3.123 0.000 1.307) 3.385 16.956 ( 0.097 0.000 0.213) 0.234 17.097 ( 3.932 0.000 -0.302) 3.944 18.591 ( 5.047 0.000 -3.924) 6.393 19.453 ( 0.100 0.000 -2.415) 2.417 19.592 ( 2.034 0.000 -1.616) 2.598 ======================= Grid point 84 (32/144) ======================= q-point: (-0.30 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( -18.756 0.000 -10.150) 21.327 1.261 ( -16.332 0.000 7.754) 18.080 1.662 ( -2.029 0.000 5.299) 5.674 2.187 ( -16.145 0.000 4.159) 16.672 2.404 ( -9.962 0.000 0.054) 9.962 2.550 ( -14.953 0.000 -13.833) 20.370 2.609 ( -10.418 0.000 -10.913) 15.088 2.730 ( 0.589 0.000 -1.827) 1.920 2.780 ( 3.260 0.000 9.816) 10.344 2.928 ( 2.256 0.000 8.582) 8.873 3.049 ( -6.336 0.000 -0.891) 6.398 3.361 ( -6.657 0.000 -3.316) 7.437 3.562 ( -1.907 0.000 -2.246) 2.946 3.765 ( -2.185 0.000 4.979) 5.438 3.790 ( 1.749 0.000 -3.155) 3.608 4.178 ( -7.824 0.000 2.354) 8.171 4.231 ( 0.231 0.000 2.672) 2.682 4.286 ( 4.022 0.000 -11.747) 12.416 4.300 ( -8.203 0.000 -5.539) 9.898 4.741 ( 3.473 0.000 0.611) 3.527 4.794 ( -0.084 0.000 -2.960) 2.962 4.938 ( -5.864 0.000 -4.384) 7.322 6.885 ( 8.674 0.000 4.053) 9.574 7.492 ( 2.750 0.000 4.968) 5.678 7.702 ( 4.728 0.000 -1.856) 5.079 7.930 ( -4.995 0.000 -1.459) 5.204 8.396 ( -1.806 0.000 2.857) 3.380 8.398 ( 3.487 0.000 13.682) 14.119 8.484 ( -3.881 0.000 -0.645) 3.934 8.827 ( -0.399 0.000 -7.260) 7.271 8.890 ( -4.750 0.000 0.045) 4.750 9.023 ( -3.439 0.000 1.000) 3.582 9.048 ( -2.082 0.000 -4.754) 5.190 9.400 ( 0.872 0.000 0.532) 1.021 9.492 ( 3.182 0.000 1.358) 3.460 10.031 ( -0.142 0.000 2.168) 2.173 10.091 ( -1.464 0.000 5.297) 5.496 10.885 ( 5.221 0.000 -1.131) 5.342 10.944 ( 4.362 0.000 -5.496) 7.017 10.979 ( 1.742 0.000 -1.108) 2.064 12.770 ( 1.246 0.000 -0.388) 1.305 13.290 ( 1.843 0.000 -1.189) 2.193 13.861 ( -1.025 0.000 0.130) 1.033 13.994 ( -6.823 0.000 -1.436) 6.973 14.563 ( 4.704 0.000 1.430) 4.916 14.689 ( -14.159 0.000 -1.061) 14.198 15.387 ( 0.647 0.000 -6.290) 6.323 15.770 ( 6.384 0.000 14.947) 16.253 16.759 ( -2.896 0.000 0.499) 2.939 16.970 ( 1.091 0.000 0.461) 1.185 17.193 ( 5.306 0.000 -0.636) 5.344 18.721 ( 8.137 0.000 -0.412) 8.147 19.461 ( 0.984 0.000 -2.513) 2.699 19.628 ( 1.510 0.000 -2.138) 2.618 ======================= Grid point 85 (33/144) ======================= q-point: (-0.20 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( -19.092 0.000 -3.351) 19.384 0.922 ( -17.492 0.000 11.090) 20.711 1.625 ( -2.168 0.000 5.230) 5.662 1.663 ( -32.790 0.000 13.282) 35.378 2.209 ( -5.638 0.000 -0.644) 5.674 2.365 ( -7.891 0.000 -5.555) 9.650 2.387 ( -8.953 0.000 -10.422) 13.739 2.728 ( -0.393 0.000 -1.066) 1.136 2.796 ( -0.913 0.000 8.907) 8.953 2.973 ( 0.231 0.000 8.724) 8.727 3.003 ( -0.867 0.000 -0.282) 0.912 3.184 ( -8.477 0.000 -0.612) 8.499 3.507 ( -2.668 0.000 -3.402) 4.323 3.679 ( -5.708 0.000 4.837) 7.482 3.810 ( 0.987 0.000 -4.390) 4.500 4.012 ( -7.780 0.000 1.848) 7.997 4.137 ( -5.544 0.000 -4.762) 7.309 4.255 ( 0.299 0.000 2.899) 2.914 4.320 ( -2.169 0.000 -21.437) 21.547 4.729 ( -4.700 0.000 -10.496) 11.500 4.818 ( 3.134 0.000 1.054) 3.307 4.916 ( 6.736 0.000 8.203) 10.614 7.065 ( 7.800 0.000 3.603) 8.592 7.548 ( 1.910 0.000 5.760) 6.068 7.809 ( -5.999 0.000 -1.458) 6.174 7.820 ( 6.652 0.000 -1.626) 6.847 8.351 ( -2.934 0.000 2.229) 3.685 8.372 ( -7.140 0.000 -4.688) 8.542 8.517 ( 5.615 0.000 12.241) 13.468 8.758 ( -4.905 0.000 -4.084) 6.383 8.765 ( -6.404 0.000 0.470) 6.421 9.004 ( 1.001 0.000 2.526) 2.717 9.036 ( 1.567 0.000 -8.576) 8.718 9.410 ( 0.349 0.000 1.100) 1.154 9.538 ( 1.339 0.000 -0.423) 1.404 10.012 ( -1.963 0.000 0.488) 2.022 10.075 ( -0.847 0.000 5.894) 5.955 10.980 ( 4.561 0.000 -2.713) 5.307 11.010 ( 1.371 0.000 -1.165) 1.799 11.049 ( 5.684 0.000 -3.341) 6.593 12.798 ( 1.464 0.000 -0.196) 1.477 13.342 ( 3.314 0.000 -1.098) 3.491 13.838 ( -1.218 0.000 0.006) 1.218 13.851 ( -7.041 0.000 -0.036) 7.041 14.397 ( -10.681 0.000 -7.949) 13.315 14.739 ( 9.722 0.000 7.877) 12.512 15.304 ( -7.451 0.000 -10.793) 13.115 15.861 ( -0.382 0.000 16.976) 16.980 16.737 ( 0.708 0.000 1.364) 1.537 16.998 ( 1.448 0.000 0.809) 1.659 17.299 ( 4.874 0.000 -1.132) 5.004 18.928 ( 11.890 0.000 4.371) 12.668 19.480 ( 1.043 0.000 -3.322) 3.482 19.638 ( -0.416 0.000 -3.454) 3.478 ======================= Grid point 86 (34/144) ======================= q-point: (-0.10 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.455 ( 0.474 0.000 25.018) 25.022 0.617 ( -13.218 0.000 17.752) 22.132 1.026 ( -28.904 0.000 21.340) 35.928 1.590 ( -2.133 0.000 5.668) 6.056 2.109 ( -6.182 0.000 1.817) 6.444 2.236 ( -3.640 0.000 -10.496) 11.109 2.237 ( -1.302 0.000 4.721) 4.897 2.718 ( -0.322 0.000 0.136) 0.349 2.833 ( 3.100 0.000 4.265) 5.273 2.880 ( -7.489 0.000 3.514) 8.272 2.955 ( -2.906 0.000 7.130) 7.699 3.102 ( -1.947 0.000 4.785) 5.166 3.456 ( -1.351 0.000 -4.573) 4.768 3.604 ( -1.523 0.000 2.683) 3.085 3.820 ( 0.030 0.000 -3.785) 3.786 3.888 ( -3.690 0.000 0.897) 3.797 4.023 ( -25.165 0.000 -29.537) 38.803 4.062 ( -1.140 0.000 -1.331) 1.753 4.252 ( -0.976 0.000 0.808) 1.267 4.569 ( -6.952 0.000 -11.012) 13.023 4.863 ( 1.168 0.000 -0.111) 1.173 5.306 ( 27.855 0.000 14.841) 31.562 7.198 ( 4.327 0.000 2.957) 5.241 7.588 ( 1.037 0.000 6.223) 6.309 7.704 ( -3.516 0.000 -0.716) 3.588 7.951 ( 5.866 0.000 -0.429) 5.882 8.127 ( -17.075 0.000 -12.668) 21.261 8.286 ( -3.520 0.000 0.954) 3.647 8.549 ( -4.169 0.000 2.496) 4.859 8.655 ( -3.734 0.000 -2.580) 4.539 8.794 ( 9.853 0.000 7.995) 12.689 9.031 ( -0.128 0.000 0.422) 0.441 9.058 ( 1.476 0.000 -10.428) 10.532 9.450 ( 3.834 0.000 3.635) 5.283 9.559 ( 1.212 0.000 -2.423) 2.709 9.964 ( -0.871 0.000 2.996) 3.120 10.076 ( -0.025 0.000 6.818) 6.818 11.028 ( 0.475 0.000 -1.585) 1.654 11.057 ( 2.783 0.000 -2.176) 3.533 11.144 ( 3.837 0.000 -1.817) 4.246 12.825 ( 1.092 0.000 0.058) 1.094 13.410 ( 2.944 0.000 -0.498) 2.986 13.697 ( -8.062 0.000 0.590) 8.084 13.815 ( -0.897 0.000 -0.151) 0.909 14.237 ( -2.649 0.000 -7.693) 8.136 14.912 ( -6.415 0.000 -23.356) 24.221 15.224 ( 17.983 0.000 29.149) 34.250 15.813 ( -5.900 0.000 16.262) 17.299 16.774 ( 1.880 0.000 3.290) 3.789 17.026 ( 1.068 0.000 1.203) 1.608 17.378 ( 2.796 0.000 -1.678) 3.260 19.213 ( 13.340 0.000 2.598) 13.591 19.455 ( -5.166 0.000 -7.443) 9.060 19.593 ( -2.571 0.000 -2.246) 3.414 ======================= Grid point 87 (35/144) ======================= q-point: ( 0.00 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( 4.930 15.269 13.839) 21.189 0.702 ( 3.252 12.562 20.512) 24.272 1.206 ( 5.203 26.031 27.741) 38.396 1.661 ( -1.260 9.162 3.243) 9.801 1.973 ( -1.707 -5.295 0.330) 5.573 2.171 ( 4.002 -5.818 8.585) 11.116 2.365 ( 0.466 9.144 -7.927) 12.110 2.701 ( -2.730 -4.081 5.604) 7.450 2.781 ( 1.463 4.858 1.639) 5.332 2.934 ( 1.826 -0.242 4.738) 5.083 2.989 ( -1.344 0.423 1.173) 1.833 3.245 ( 10.223 6.763 -4.546) 13.073 3.367 ( -9.187 -0.514 -3.498) 9.844 3.494 ( -0.531 5.580 -4.486) 7.179 3.584 ( 1.538 -2.705 0.362) 3.133 3.754 ( -0.880 -3.583 -2.257) 4.325 3.888 ( 0.347 0.830 1.555) 1.796 4.090 ( 1.261 -0.816 2.370) 2.806 4.259 ( -2.150 3.651 -6.785) 7.999 4.462 ( -0.597 -2.086 -5.963) 6.346 4.869 ( -1.058 0.471 0.261) 1.187 5.565 ( 3.788 -16.742 10.307) 20.022 7.271 ( -1.275 3.111 2.145) 3.988 7.657 ( 4.723 1.557 -2.591) 5.608 7.679 ( 1.057 -0.246 -0.367) 1.145 7.873 ( -10.726 10.924 -6.161) 16.503 8.051 ( 3.118 1.244 0.981) 3.498 8.132 ( -3.534 -6.615 -0.590) 7.523 8.544 ( 1.387 -1.729 0.435) 2.259 8.604 ( 0.406 2.018 0.846) 2.225 8.905 ( 3.996 -6.999 -4.313) 9.141 8.984 ( -3.374 1.213 -2.336) 4.279 9.103 ( 2.224 2.981 -4.982) 6.217 9.284 ( -5.553 -7.367 4.237) 10.152 9.553 ( 0.267 -1.510 -0.588) 1.642 10.011 ( 5.199 -8.263 5.210) 11.066 10.252 ( 0.329 9.738 1.972) 9.941 10.995 ( -0.804 -2.952 -2.022) 3.668 11.070 ( 0.086 -0.012 -1.046) 1.050 11.182 ( 0.828 -1.123 -0.689) 1.556 13.020 ( -0.417 11.986 -9.694) 15.421 13.425 ( -0.012 -0.763 1.914) 2.061 13.616 ( 1.323 0.675 1.992) 2.485 13.800 ( -0.988 -0.633 0.000) 1.173 14.256 ( 4.533 -2.399 -3.985) 6.495 14.542 ( -6.638 -4.764 -11.229) 13.887 15.543 ( -3.739 -12.553 17.537) 21.888 15.695 ( 27.151 -20.368 24.499) 41.860 16.749 ( -0.172 -0.406 -0.965) 1.061 17.162 ( 3.464 -8.672 -3.131) 9.849 17.784 ( 9.194 26.061 -3.112) 27.810 18.930 ( -30.435 8.670 -8.498) 32.767 19.522 ( 5.873 -1.662 2.772) 6.704 19.569 ( 0.141 -0.820 0.272) 0.876 ======================= Grid point 88 (36/144) ======================= q-point: ( 0.10 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( 8.442 9.786 15.532) 20.206 0.903 ( 17.244 14.660 8.728) 24.258 1.500 ( 14.278 13.678 24.522) 31.501 1.654 ( 1.196 8.872 4.000) 9.805 2.001 ( 4.580 -6.375 -1.198) 7.940 2.289 ( 5.361 -3.566 5.191) 8.271 2.408 ( 5.427 3.591 -2.213) 6.873 2.698 ( 0.985 -3.658 6.215) 7.278 2.827 ( 2.432 6.282 1.318) 6.864 3.019 ( 2.962 0.596 2.931) 4.210 3.029 ( 8.214 -3.298 6.215) 10.816 3.165 ( -0.794 11.763 1.106) 11.842 3.458 ( 5.374 -3.302 -2.114) 6.653 3.609 ( 3.330 1.029 -0.874) 3.593 3.732 ( 0.043 -1.406 -3.166) 3.465 3.766 ( 13.495 -2.161 -6.693) 15.218 3.956 ( 7.501 1.329 0.087) 7.618 4.102 ( -1.681 -4.118 -1.901) 4.837 4.222 ( 1.008 3.468 -0.410) 3.635 4.511 ( 5.507 -2.269 -5.348) 8.005 4.820 ( -3.454 0.397 -0.760) 3.559 5.390 ( -16.415 -10.729 3.222) 19.874 7.186 ( -6.810 3.044 1.384) 7.587 7.696 ( -1.487 4.340 3.702) 5.895 7.772 ( 5.793 0.818 -5.961) 8.353 7.777 ( 1.323 2.950 -0.779) 3.326 7.998 ( -3.682 -1.061 0.829) 3.920 8.181 ( 4.262 -1.575 -1.743) 4.867 8.610 ( 4.061 1.022 1.613) 4.488 8.668 ( 5.261 -0.865 0.658) 5.372 8.880 ( -3.721 2.630 -5.102) 6.840 8.923 ( -1.279 -5.755 -6.792) 8.994 9.153 ( -2.555 -1.238 7.188) 7.728 9.203 ( 2.410 -0.628 -4.804) 5.411 9.559 ( 0.476 -1.431 0.006) 1.508 10.046 ( -2.370 -8.543 2.870) 9.319 10.237 ( -1.641 8.634 4.016) 9.662 10.954 ( -2.338 -3.183 -3.109) 5.026 11.061 ( -1.023 0.068 -1.629) 1.925 11.168 ( -2.098 -1.415 -0.929) 2.696 12.942 ( -3.939 8.749 -3.019) 10.059 13.404 ( -2.168 -0.647 -0.682) 2.363 13.716 ( 6.315 -0.070 1.775) 6.560 13.798 ( 0.872 -1.138 -0.123) 1.439 14.303 ( 1.117 -1.776 -0.710) 2.215 14.561 ( 7.012 -2.392 -11.867) 13.990 15.442 ( -5.494 -3.405 11.138) 12.877 16.211 ( 12.166 -37.904 21.100) 45.055 16.746 ( 0.539 0.258 -1.082) 1.236 17.203 ( 0.283 -10.569 -1.433) 10.670 17.886 ( -7.545 16.431 9.531) 20.439 18.317 ( -14.011 29.542 -15.720) 36.279 19.565 ( -0.830 -1.732 0.917) 2.129 19.576 ( 0.312 -2.147 -1.345) 2.553 ======================= Grid point 89 (37/144) ======================= q-point: ( 0.20 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( 11.197 4.331 9.967) 15.603 1.327 ( 22.065 10.074 1.374) 24.295 1.636 ( 1.418 4.978 1.971) 5.538 1.841 ( 9.513 7.863 17.188) 21.160 2.123 ( 5.859 -8.797 -2.020) 10.761 2.387 ( 4.467 -2.688 -0.859) 5.283 2.548 ( 6.193 1.138 0.694) 6.335 2.779 ( 7.130 0.699 4.897) 8.678 2.894 ( 3.753 4.538 3.371) 6.785 3.072 ( 2.432 3.785 4.603) 6.436 3.214 ( 6.735 -0.209 4.159) 7.918 3.289 ( 9.964 2.356 7.139) 12.482 3.572 ( 6.050 -1.040 -0.764) 6.186 3.675 ( 2.474 2.904 2.358) 4.485 3.748 ( 2.534 -0.979 -4.723) 5.449 3.919 ( 5.430 -7.377 -1.188) 9.237 4.034 ( -2.315 -2.474 -4.166) 5.370 4.168 ( 9.302 3.081 -3.834) 10.522 4.299 ( 5.060 -1.498 2.446) 5.816 4.592 ( 0.012 -0.489 -9.281) 9.294 4.788 ( 3.630 -1.242 -0.277) 3.846 5.056 ( -14.595 -7.100 -3.145) 16.532 7.018 ( -9.228 2.964 0.907) 9.735 7.651 ( -3.125 6.957 4.146) 8.681 7.749 ( -3.649 -7.303 -0.399) 8.173 7.897 ( 4.034 0.547 -2.328) 4.690 7.994 ( 4.707 4.070 0.973) 6.298 8.262 ( 3.982 0.687 -1.406) 4.279 8.679 ( 1.629 3.427 2.792) 4.711 8.774 ( 3.643 -0.213 -0.705) 3.717 8.847 ( 1.706 -1.357 -4.104) 4.647 8.879 ( -1.037 -4.296 -7.235) 8.478 9.107 ( -0.863 -0.082 5.103) 5.176 9.266 ( 2.254 -0.147 -3.524) 4.186 9.575 ( 0.808 -0.827 2.044) 2.348 9.964 ( -4.587 -5.115 0.165) 6.872 10.221 ( -0.777 7.134 5.617) 9.113 10.892 ( -3.389 -4.294 -3.719) 6.615 11.019 ( -2.712 0.835 -1.036) 3.021 11.104 ( -3.604 -1.663 -1.495) 4.241 12.872 ( -2.789 5.361 -0.609) 6.074 13.350 ( -2.669 -1.921 0.135) 3.292 13.828 ( 2.182 -0.077 -0.281) 2.201 13.857 ( 6.988 -0.116 0.680) 7.022 14.342 ( 2.732 -0.186 -2.305) 3.579 14.692 ( 6.955 -2.861 -8.702) 11.502 15.356 ( -4.585 -0.334 9.019) 10.123 16.287 ( -5.101 -24.967 18.261) 31.350 16.769 ( 1.361 -0.278 1.735) 2.223 17.167 ( -3.344 -4.227 1.298) 5.544 17.550 ( -17.394 23.284 9.966) 30.725 18.314 ( 6.041 7.135 -19.040) 21.212 19.539 ( -1.542 -2.057 0.392) 2.601 19.564 ( -1.035 -1.717 -2.210) 2.983 ======================= Grid point 90 (38/144) ======================= q-point: ( 0.30 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 11.322 -0.652 4.487) 12.196 1.668 ( 1.570 3.318 1.581) 3.997 1.778 ( 21.191 6.144 -6.998) 23.147 1.972 ( 1.194 3.228 13.954) 14.372 2.199 ( 2.969 -10.498 -3.248) 11.383 2.503 ( 6.892 -1.756 0.694) 7.146 2.624 ( 2.171 2.471 -5.092) 6.062 2.902 ( 1.314 7.935 -2.680) 8.478 3.019 ( 7.113 -1.707 7.302) 10.336 3.156 ( 4.186 1.062 5.566) 7.045 3.333 ( 4.720 5.463 7.744) 10.588 3.463 ( 5.428 -4.642 4.269) 8.321 3.658 ( 0.959 0.328 -4.847) 4.952 3.732 ( 2.815 -2.288 3.219) 4.850 3.790 ( 2.052 4.511 1.027) 5.061 4.004 ( 2.756 -5.570 -0.168) 6.217 4.083 ( 7.663 -3.652 -2.189) 8.767 4.280 ( 1.776 4.629 -1.875) 5.301 4.408 ( 5.389 -5.841 1.183) 8.035 4.516 ( -3.769 0.381 -9.687) 10.401 4.810 ( -5.909 -4.695 -7.432) 10.592 4.948 ( 7.811 -2.604 -0.759) 8.269 6.831 ( -8.651 3.127 1.042) 9.257 7.572 ( -5.221 2.459 2.190) 6.173 7.670 ( -3.384 -4.897 3.080) 6.702 7.939 ( 1.923 2.990 -4.337) 5.608 8.142 ( 7.235 3.759 4.864) 9.493 8.340 ( 3.690 2.169 -0.657) 4.331 8.684 ( -1.095 3.946 3.663) 5.494 8.803 ( -0.578 -4.850 -8.643) 9.928 8.855 ( 2.867 1.080 -2.333) 3.850 8.936 ( 4.029 -4.547 0.511) 6.096 9.139 ( 2.801 1.760 1.820) 3.775 9.276 ( -0.445 0.160 -2.577) 2.620 9.579 ( -1.481 -0.159 5.013) 5.230 9.898 ( -1.254 -3.158 -1.640) 3.772 10.215 ( -0.779 5.533 5.513) 7.849 10.803 ( -4.474 -4.656 -3.335) 7.268 10.962 ( -2.362 0.934 -1.375) 2.889 11.028 ( -3.416 -1.524 -1.249) 3.943 12.822 ( -2.076 3.549 -0.191) 4.116 13.301 ( -2.166 -3.347 0.632) 4.036 13.874 ( 2.256 1.866 -0.232) 2.937 14.009 ( 7.538 -0.291 -0.179) 7.546 14.390 ( 2.024 0.250 -2.956) 3.591 14.823 ( 7.205 -4.036 -6.133) 10.286 15.279 ( -4.090 1.688 8.872) 9.914 16.121 ( -12.981 -14.332 15.460) 24.757 16.805 ( 1.909 1.247 2.791) 3.604 17.098 ( -3.044 1.453 1.848) 3.846 17.283 ( -10.059 15.332 1.792) 18.425 18.389 ( 3.667 -1.623 -12.993) 13.598 19.514 ( -0.810 -1.939 -0.043) 2.102 19.530 ( -1.753 -1.601 -2.606) 3.525 ======================= Grid point 91 (39/144) ======================= q-point: ( 0.40 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 6.429 -4.135 -0.032) 7.644 1.698 ( 0.598 1.822 2.593) 3.225 1.904 ( -4.140 3.228 2.412) 5.777 2.204 ( 16.338 -2.189 -3.074) 16.768 2.276 ( 5.335 -4.564 -1.531) 7.186 2.623 ( 2.185 -0.645 -1.486) 2.720 2.658 ( 4.076 -0.711 -3.433) 5.376 2.883 ( -1.545 7.936 -1.071) 8.155 3.077 ( -2.197 -1.725 -1.760) 3.302 3.217 ( 0.746 3.178 2.769) 4.280 3.398 ( -0.601 3.605 0.701) 3.721 3.573 ( 5.416 -3.958 0.508) 6.727 3.623 ( -2.044 -0.340 -4.874) 5.296 3.735 ( -2.449 -2.025 4.754) 5.719 3.858 ( 1.819 2.325 3.240) 4.383 4.073 ( 3.499 -5.081 2.546) 6.674 4.230 ( 5.245 -1.358 -0.497) 5.441 4.273 ( -0.364 0.213 -3.243) 3.271 4.415 ( -2.743 -0.164 -4.948) 5.659 4.521 ( 4.283 -6.139 0.787) 7.527 4.774 ( 1.949 -0.371 -5.573) 5.916 5.083 ( 4.784 -2.710 -2.680) 6.117 6.690 ( -4.881 3.303 1.874) 6.184 7.468 ( -4.468 -1.871 1.039) 4.954 7.621 ( -2.055 -0.708 3.226) 3.890 7.977 ( 2.365 3.162 -2.590) 4.722 8.271 ( 4.340 4.606 6.034) 8.744 8.405 ( 2.554 3.312 0.347) 4.197 8.658 ( -1.964 1.776 3.964) 4.767 8.775 ( -0.238 -4.222 -8.891) 9.845 8.946 ( 5.326 1.443 0.619) 5.553 9.005 ( 2.563 -5.558 0.374) 6.132 9.185 ( 0.768 1.063 -1.510) 2.000 9.264 ( 0.235 2.405 -1.050) 2.635 9.530 ( -3.666 0.404 6.569) 7.533 9.903 ( 1.447 -2.676 -1.246) 3.287 10.203 ( -1.146 4.533 4.699) 6.629 10.718 ( -2.804 -4.190 -2.490) 5.623 10.920 ( -1.619 -0.568 -2.321) 2.887 10.968 ( -1.998 -0.217 -0.647) 2.111 12.787 ( -1.250 2.640 -0.237) 2.931 13.263 ( -1.693 -4.257 0.344) 4.594 13.915 ( 1.650 3.813 0.027) 4.155 14.150 ( 5.731 -0.391 -1.076) 5.844 14.410 ( 0.493 0.369 -3.476) 3.530 14.966 ( 7.146 -6.091 -1.542) 9.515 15.237 ( -0.757 2.532 7.875) 8.307 15.830 ( -16.584 -6.579 10.673) 20.790 16.848 ( 1.469 1.495 2.540) 3.293 17.062 ( -0.749 1.615 0.916) 2.002 17.129 ( -5.040 10.984 -0.650) 12.102 18.431 ( 2.416 -4.428 -8.925) 10.252 19.488 ( -1.805 -1.111 -2.036) 2.939 19.509 ( 0.393 -2.380 -1.080) 2.642 ======================= Grid point 92 (40/144) ======================= q-point: (-0.50 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( -1.369 -5.599 -4.681) 7.425 1.696 ( -0.914 3.277 3.082) 4.590 1.800 ( -6.522 3.315 3.878) 8.280 2.348 ( 1.722 -6.734 -1.802) 7.181 2.455 ( 6.480 -2.809 -3.500) 7.882 2.660 ( 3.207 0.042 -2.990) 4.385 2.709 ( -0.448 -3.165 -1.532) 3.545 2.845 ( -2.636 5.150 1.508) 5.979 3.034 ( 2.638 3.055 -11.038) 11.753 3.166 ( -5.492 7.052 -2.652) 9.323 3.318 ( -7.031 0.389 -2.474) 7.464 3.592 ( -1.045 -1.956 -1.095) 2.473 3.633 ( -2.987 -1.220 -4.496) 5.534 3.694 ( 1.601 -3.099 3.806) 5.163 3.791 ( -7.509 -0.047 1.309) 7.622 4.147 ( 2.704 -3.874 4.751) 6.700 4.245 ( 0.092 0.370 -1.834) 1.873 4.310 ( 0.604 -3.099 -1.542) 3.513 4.460 ( 6.371 -0.485 2.836) 6.991 4.554 ( -1.381 -4.494 -1.156) 4.842 4.804 ( 0.847 0.648 -3.975) 4.115 5.121 ( -0.730 -2.764 -4.136) 5.028 6.655 ( 1.311 3.202 3.062) 4.620 7.413 ( -0.699 -2.545 0.376) 2.666 7.593 ( -1.120 -0.179 2.559) 2.799 8.019 ( 1.602 2.592 -1.368) 3.340 8.342 ( 1.864 5.349 6.905) 8.932 8.445 ( 1.234 3.843 1.504) 4.307 8.616 ( -2.780 0.278 3.865) 4.769 8.769 ( 0.781 -2.930 -8.144) 8.691 9.018 ( 0.203 0.083 -0.260) 0.340 9.050 ( 1.536 -4.582 2.549) 5.464 9.186 ( 0.756 0.812 -3.338) 3.518 9.280 ( 1.201 2.727 0.110) 2.982 9.471 ( -2.699 1.036 6.355) 6.981 9.939 ( 1.912 -2.766 0.330) 3.379 10.185 ( -1.151 4.077 3.778) 5.676 10.696 ( 1.020 -3.580 -1.706) 4.095 10.885 ( -1.240 -1.617 -3.048) 3.666 10.950 ( 0.160 0.789 -0.549) 0.974 12.772 ( -0.189 2.366 -0.389) 2.405 13.235 ( -0.932 -4.413 -0.319) 4.522 13.937 ( 0.411 5.032 0.323) 5.059 14.207 ( -0.614 -0.316 -2.190) 2.296 14.418 ( 1.469 0.456 -2.668) 3.079 15.112 ( 6.481 -7.405 5.326) 11.189 15.247 ( -2.188 0.620 4.228) 4.800 15.536 ( -9.859 -1.573 4.920) 11.130 16.861 ( -0.632 0.748 1.971) 2.201 17.027 ( -2.175 1.051 -1.374) 2.779 17.110 ( 2.388 10.293 0.967) 10.610 18.473 ( 3.153 -4.814 -6.246) 8.492 19.454 ( -1.059 -1.149 -2.375) 2.842 19.526 ( 1.319 -2.657 -0.919) 3.106 ======================= Grid point 93 (41/144) ======================= q-point: (-0.40 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( -8.778 -0.028 -9.313) 12.798 1.584 ( -12.032 3.179 5.828) 13.742 1.723 ( -0.357 3.513 2.458) 4.303 2.320 ( -3.457 -8.219 -3.462) 9.565 2.460 ( -5.631 -2.681 -0.776) 6.285 2.605 ( -3.304 -3.319 -2.043) 5.109 2.763 ( 1.479 -2.478 -3.339) 4.413 2.838 ( 1.255 6.835 1.115) 7.038 3.008 ( -7.178 7.687 -3.636) 11.127 3.094 ( -11.115 8.517 -2.824) 14.285 3.122 ( 0.379 0.771 -5.535) 5.602 3.463 ( -8.272 -4.024 -2.351) 9.495 3.583 ( -0.770 -1.144 -2.775) 3.099 3.681 ( -2.213 -5.135 0.399) 5.606 3.770 ( 3.462 -0.470 1.870) 3.963 4.182 ( -0.715 -2.429 4.372) 5.052 4.228 ( -1.012 -3.528 -5.739) 6.812 4.275 ( -4.061 -2.933 0.980) 5.104 4.469 ( -5.119 -1.272 -2.608) 5.884 4.621 ( 7.316 -0.676 2.512) 7.765 4.792 ( -1.157 -0.451 -2.650) 2.927 5.046 ( -5.565 -2.674 -4.669) 7.741 6.745 ( 6.541 2.874 3.803) 8.093 7.442 ( 3.294 -1.268 0.309) 3.543 7.586 ( 0.228 -1.923 1.770) 2.624 8.020 ( -1.630 1.424 -1.636) 2.713 8.378 ( 0.573 4.220 6.972) 8.170 8.466 ( 0.660 4.900 3.528) 6.074 8.562 ( -2.875 1.047 3.933) 4.983 8.775 ( 0.855 -3.316 -7.748) 8.471 8.983 ( -3.143 -0.721 -0.761) 3.313 9.043 ( -1.538 -1.149 1.442) 2.401 9.169 ( -2.860 1.827 -2.972) 4.511 9.326 ( 2.371 -2.317 1.389) 3.595 9.460 ( 1.204 2.647 4.615) 5.455 9.968 ( 0.463 -3.190 1.627) 3.611 10.176 ( -0.038 4.739 3.629) 5.969 10.752 ( 4.533 -3.244 -1.518) 5.778 10.869 ( 0.449 -1.673 -3.868) 4.238 10.967 ( 1.514 0.860 -0.572) 1.832 12.779 ( 0.968 2.687 -0.522) 2.903 13.228 ( 0.459 -3.969 -0.808) 4.076 13.932 ( -0.974 4.904 0.571) 5.032 14.130 ( -5.652 0.043 -2.358) 6.124 14.471 ( 3.667 0.300 -0.441) 3.706 14.999 ( -15.395 -2.771 0.492) 15.650 15.293 ( 6.286 -1.979 3.678) 7.547 15.536 ( 5.246 -4.575 6.058) 9.228 16.827 ( -2.915 0.631 1.011) 3.149 17.000 ( -0.211 1.535 -1.321) 2.037 17.190 ( 5.050 10.558 1.080) 11.753 18.553 ( 5.637 -4.084 -3.755) 7.909 19.439 ( -0.028 -1.269 -2.365) 2.684 19.556 ( 1.680 -3.182 -0.993) 3.733 ======================= Grid point 94 (42/144) ======================= q-point: (-0.30 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( -15.977 5.537 -10.808) 20.068 1.305 ( -15.434 4.142 6.475) 17.242 1.723 ( -0.403 6.060 2.950) 6.752 2.197 ( -9.589 -1.052 -1.793) 9.812 2.284 ( -11.076 -7.427 6.489) 14.830 2.569 ( -3.836 0.040 -7.351) 8.291 2.628 ( -10.884 -1.028 -0.024) 10.932 2.712 ( -9.152 5.677 -3.861) 11.441 2.868 ( -1.750 5.901 1.063) 6.246 3.014 ( -6.205 -1.145 -0.787) 6.359 3.109 ( 4.776 11.974 1.713) 13.004 3.331 ( -6.251 -2.264 -1.669) 6.855 3.552 ( -2.006 -1.164 -3.555) 4.244 3.673 ( 0.407 -7.497 -0.957) 7.569 3.815 ( -0.676 0.572 2.643) 2.787 4.123 ( -4.989 -8.019 -5.237) 10.799 4.156 ( -4.207 -4.340 -1.802) 6.307 4.217 ( -0.353 -2.584 3.198) 4.127 4.370 ( -3.567 2.744 -6.751) 8.114 4.747 ( 3.863 0.385 1.043) 4.020 4.764 ( -0.671 -2.848 -2.819) 4.063 4.907 ( -5.983 -2.433 -2.314) 6.861 6.912 ( 8.647 2.638 3.840) 9.822 7.522 ( 3.276 2.427 1.829) 4.469 7.623 ( 3.866 -6.228 0.143) 7.332 7.946 ( -4.895 0.650 -2.412) 5.495 8.374 ( -2.133 0.617 3.745) 4.353 8.490 ( -0.953 5.078 12.818) 13.821 8.522 ( 0.425 4.349 -3.020) 5.312 8.767 ( -1.067 -4.501 -5.247) 6.995 8.893 ( -5.370 -0.728 -0.949) 5.502 9.028 ( 0.396 1.329 -0.810) 1.606 9.079 ( -4.565 1.688 -3.316) 5.889 9.354 ( 0.393 -4.446 2.181) 4.968 9.514 ( 2.469 2.256 2.348) 4.086 9.958 ( -1.547 -3.715 1.629) 4.341 10.193 ( 0.915 6.513 3.997) 7.697 10.860 ( 5.594 -4.208 -2.227) 7.346 10.895 ( 2.746 -1.107 -3.444) 4.542 11.009 ( 2.728 1.121 -0.862) 3.073 12.809 ( 2.081 3.674 -0.647) 4.271 13.254 ( 2.247 -3.257 -0.926) 4.064 13.902 ( -1.922 3.631 0.699) 4.167 13.996 ( -6.739 0.292 -1.124) 6.838 14.557 ( 3.975 -0.503 -0.990) 4.127 14.686 ( -13.280 -0.351 -1.190) 13.338 15.369 ( 0.400 -1.717 -5.356) 5.638 15.669 ( 4.933 -8.726 14.390) 17.537 16.760 ( -3.084 0.713 -0.183) 3.171 17.011 ( 1.333 1.187 -1.360) 2.244 17.315 ( 6.840 12.900 1.278) 14.657 18.699 ( 9.049 -2.660 -0.329) 9.437 19.444 ( 0.711 -1.614 -2.358) 2.945 19.586 ( 1.226 -3.587 -1.272) 3.998 ======================= Grid point 95 (43/144) ======================= q-point: (-0.20 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( -15.566 10.941 -3.888) 19.420 0.987 ( -16.109 6.907 8.115) 19.315 1.707 ( -3.152 8.833 4.057) 10.218 1.807 ( -24.072 11.523 12.793) 29.596 2.141 ( -3.795 -7.359 0.977) 8.337 2.332 ( -12.403 -1.240 -2.004) 12.625 2.473 ( -7.011 7.167 -10.057) 14.201 2.679 ( 3.343 -2.100 4.681) 6.123 2.835 ( -2.111 4.445 4.001) 6.341 2.926 ( -2.540 -2.320 -0.746) 3.520 3.160 ( -4.136 0.611 -0.025) 4.181 3.179 ( -4.735 8.357 2.140) 9.841 3.493 ( -2.848 -1.469 -4.155) 5.247 3.657 ( -2.801 -2.869 1.937) 4.453 3.754 ( -2.337 -4.931 -3.699) 6.592 3.974 ( -6.971 -4.156 0.535) 8.134 4.115 ( -2.219 -2.348 -2.721) 4.224 4.221 ( -3.617 -0.394 -0.460) 3.668 4.298 ( -0.296 -3.804 -13.353) 13.887 4.686 ( -5.483 -3.878 -8.576) 10.893 4.816 ( 3.172 -0.164 1.389) 3.467 4.904 ( 6.505 -0.882 9.047) 11.178 7.092 ( 7.915 2.651 3.448) 9.031 7.568 ( 1.362 1.968 2.513) 3.471 7.728 ( 3.865 -5.593 -0.360) 6.808 7.848 ( -2.072 0.353 -2.192) 3.038 8.302 ( -5.208 -1.708 1.210) 5.613 8.422 ( -5.391 3.485 -1.057) 6.506 8.599 ( 4.960 6.103 6.598) 10.265 8.696 ( -5.110 -5.010 -3.117) 7.806 8.773 ( -5.969 0.699 1.132) 6.115 9.007 ( -0.777 -1.247 -6.841) 6.997 9.059 ( 2.135 2.761 -0.237) 3.498 9.357 ( -0.471 -4.952 2.388) 5.518 9.547 ( 0.517 1.027 1.041) 1.551 9.923 ( -1.768 -3.950 1.059) 4.455 10.218 ( 0.731 8.672 3.694) 9.454 10.940 ( 3.163 -4.844 -3.627) 6.829 10.977 ( 4.398 -0.613 -0.878) 4.527 11.076 ( 3.828 1.012 -1.539) 4.248 12.863 ( 3.382 5.675 -1.104) 6.698 13.315 ( 3.684 -2.524 -0.869) 4.549 13.848 ( -5.737 0.672 0.814) 5.833 13.868 ( -3.342 1.751 0.121) 3.775 14.401 ( -10.225 0.452 -8.667) 13.412 14.700 ( 6.474 -3.520 3.274) 8.064 15.285 ( -7.101 -1.492 -6.930) 10.034 15.741 ( -0.923 -9.657 17.311) 19.843 16.724 ( -0.114 -0.056 -0.525) 0.540 17.045 ( 2.243 -0.128 -1.815) 2.888 17.464 ( 7.290 17.143 1.339) 18.677 18.923 ( 12.457 -1.303 3.746) 13.073 19.454 ( 0.431 -2.285 -2.878) 3.700 19.595 ( -0.239 -3.304 -1.596) 3.677 ======================= Grid point 96 (44/144) ======================= q-point: (-0.10 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( -3.124 13.988 13.680) 19.813 0.712 ( -10.405 11.445 13.867) 20.774 1.327 ( -18.906 23.974 18.925) 35.921 1.692 ( -2.060 8.080 3.102) 8.897 2.080 ( -7.943 -1.494 3.448) 8.787 2.122 ( -1.554 -8.449 4.335) 9.623 2.375 ( -1.034 10.524 -8.964) 13.863 2.755 ( 1.616 1.242 0.265) 2.055 2.811 ( -6.133 -1.123 5.508) 8.319 2.845 ( 2.262 1.359 3.418) 4.318 3.083 ( -6.433 3.808 1.626) 7.651 3.097 ( 1.220 2.411 2.720) 3.834 3.438 ( -1.468 -1.746 -5.480) 5.935 3.590 ( -2.231 -1.422 -0.258) 2.658 3.750 ( 0.862 -7.562 -3.701) 8.463 3.823 ( -10.915 -4.239 -5.936) 13.128 3.990 ( -12.945 0.513 -6.919) 14.687 4.079 ( -0.772 0.803 0.738) 1.336 4.296 ( -0.265 1.201 -7.351) 7.453 4.548 ( -5.790 -2.376 -9.099) 11.044 4.865 ( 1.296 0.177 0.428) 1.377 5.222 ( 20.338 -6.785 17.918) 27.941 7.230 ( 4.582 2.911 2.844) 6.128 7.598 ( 1.567 1.106 1.336) 2.338 7.701 ( -2.743 -0.552 -0.882) 2.934 7.931 ( 6.715 -2.524 -0.218) 7.177 8.148 ( -10.714 0.852 -6.376) 12.496 8.269 ( -8.238 0.916 -3.727) 9.088 8.573 ( -4.205 -2.546 -0.818) 4.983 8.645 ( -3.838 2.770 0.526) 4.762 8.770 ( 7.074 -1.335 6.599) 9.766 9.007 ( 0.922 -2.464 -7.191) 7.657 9.097 ( 0.962 3.173 -2.187) 3.972 9.344 ( -1.302 -7.132 3.880) 8.223 9.550 ( 0.021 -0.531 0.012) 0.532 9.911 ( 1.466 -3.274 2.989) 4.669 10.235 ( 0.584 10.573 2.901) 10.979 10.986 ( 1.660 -3.843 -1.812) 4.562 11.049 ( 2.561 -0.636 -1.246) 2.918 11.145 ( 2.817 -0.023 -1.423) 3.156 12.951 ( 5.582 9.362 -4.025) 11.619 13.391 ( 3.319 -1.828 -0.278) 3.799 13.701 ( -7.610 0.592 1.153) 7.720 13.828 ( -1.557 0.815 0.097) 1.760 14.240 ( -3.389 0.450 -8.400) 9.069 14.762 ( -5.407 -11.793 -13.576) 18.778 15.198 ( 6.190 -0.635 19.615) 20.578 15.687 ( -6.266 -7.999 16.223) 19.142 16.740 ( 1.104 -0.905 -0.306) 1.460 17.096 ( 3.099 -3.202 -2.549) 5.134 17.616 ( 7.511 23.358 0.229) 24.537 19.185 ( 9.005 -3.931 0.706) 9.851 19.430 ( -2.123 -1.070 -2.099) 3.171 19.575 ( -0.999 -1.349 -0.521) 1.757 ======================= Grid point 97 (45/144) ======================= q-point: ( 0.00 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( 1.295 17.569 9.795) 20.157 0.999 ( 5.394 17.942 10.677) 21.564 1.673 ( -0.842 8.662 9.884) 13.169 1.844 ( 1.495 6.373 -1.519) 6.720 1.907 ( -0.800 5.777 8.341) 10.178 2.061 ( 1.427 -0.463 13.256) 13.340 2.511 ( -1.916 2.532 -6.828) 7.531 2.699 ( -1.782 4.661 1.473) 5.202 2.846 ( 0.997 0.638 4.001) 4.172 2.955 ( 0.874 3.665 4.049) 5.531 3.008 ( -0.238 1.916 -2.791) 3.394 3.279 ( 6.721 -2.467 -1.944) 7.418 3.365 ( -1.803 0.175 -9.707) 9.875 3.479 ( 3.454 -7.588 -0.902) 8.385 3.639 ( -0.280 -3.854 0.057) 3.864 3.671 ( 1.280 8.692 -3.862) 9.597 3.910 ( -1.490 0.092 -0.117) 1.498 4.059 ( -1.232 -2.086 0.039) 2.423 4.308 ( 0.124 0.923 -4.350) 4.448 4.399 ( -1.452 -3.973 -0.787) 4.303 4.890 ( -0.846 1.836 2.497) 3.213 5.280 ( 1.854 -12.075 15.933) 20.077 7.357 ( -1.145 5.586 2.005) 6.044 7.665 ( 0.821 -1.149 -0.291) 1.442 7.683 ( 3.968 1.161 -2.912) 5.057 7.924 ( -1.171 -7.453 0.327) 7.551 8.076 ( 0.973 4.275 -3.374) 5.532 8.147 ( -6.752 7.237 -7.815) 12.611 8.439 ( 1.733 -6.491 0.373) 6.729 8.643 ( -0.591 -2.202 -1.299) 2.624 8.826 ( 1.221 0.710 -6.583) 6.733 8.993 ( 1.193 0.470 1.847) 2.248 9.164 ( 0.663 2.118 -1.126) 2.489 9.171 ( -2.980 -4.446 2.805) 6.043 9.532 ( -0.732 0.336 2.125) 2.272 9.860 ( 1.280 -7.000 0.744) 7.155 10.451 ( -0.191 9.802 1.442) 9.909 10.912 ( 0.003 -5.256 -1.567) 5.484 11.069 ( 0.058 0.129 -0.584) 0.601 11.155 ( 0.032 -1.656 -0.739) 1.813 13.205 ( 0.126 6.720 -8.075) 10.506 13.402 ( 0.954 -1.591 1.464) 2.363 13.638 ( 0.070 1.573 1.652) 2.283 13.772 ( -2.131 -2.149 1.085) 3.215 14.232 ( 1.982 0.425 -6.569) 6.875 14.444 ( -1.385 -4.866 -10.930) 12.045 15.331 ( 5.331 -3.948 16.396) 17.688 15.532 ( 2.397 -5.691 13.198) 14.571 16.754 ( 0.508 0.880 -2.011) 2.254 16.988 ( 1.074 -7.789 -2.349) 8.206 18.232 ( 3.737 20.030 1.197) 20.410 18.980 ( -11.221 -2.842 -4.359) 12.369 19.498 ( 2.301 -0.588 3.707) 4.403 19.548 ( -0.021 -1.282 0.694) 1.458 ======================= Grid point 98 (46/144) ======================= q-point: ( 0.10 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( 3.464 11.862 11.303) 16.747 1.214 ( 13.504 16.148 5.715) 21.812 1.663 ( -1.731 -3.807 2.212) 4.732 1.879 ( 5.673 10.190 2.978) 12.036 2.036 ( 7.330 14.502 8.600) 18.384 2.164 ( 5.458 -6.048 12.925) 15.279 2.477 ( 0.052 1.380 -4.865) 5.057 2.723 ( 4.192 5.056 2.352) 6.976 2.933 ( 5.568 -3.811 5.590) 8.762 2.976 ( 2.617 8.046 -0.803) 8.499 3.057 ( 4.099 2.073 1.777) 4.925 3.332 ( 1.713 4.682 -3.158) 5.902 3.379 ( 4.390 -5.447 -2.272) 7.355 3.573 ( 5.626 -5.281 -0.398) 7.726 3.655 ( 2.219 -3.765 0.645) 4.418 3.775 ( 2.622 1.921 -6.145) 6.952 3.957 ( 6.412 -2.462 -0.015) 6.868 4.043 ( 1.043 -0.259 -1.744) 2.049 4.278 ( -1.316 1.850 2.551) 3.415 4.453 ( 6.286 -3.259 -2.990) 7.686 4.839 ( -4.292 1.782 1.262) 4.815 5.182 ( -11.687 -9.657 8.531) 17.396 7.272 ( -6.918 5.541 1.306) 8.959 7.676 ( -1.400 -4.381 0.923) 4.691 7.786 ( 6.112 0.771 -0.881) 6.224 7.842 ( -3.850 -0.143 1.001) 3.981 8.043 ( -0.282 6.997 -10.113) 12.301 8.185 ( 5.600 1.922 -0.180) 5.923 8.524 ( 5.667 -6.197 1.031) 8.460 8.664 ( 2.626 -6.163 -5.110) 8.425 8.828 ( 0.470 2.851 -5.446) 6.165 8.984 ( -1.959 4.579 1.748) 5.278 9.110 ( -2.739 -2.805 3.563) 5.298 9.202 ( 2.813 -0.095 -2.113) 3.519 9.536 ( 0.727 -0.176 2.466) 2.577 9.871 ( -0.598 -8.486 -0.173) 8.509 10.429 ( -1.958 10.011 2.273) 10.450 10.881 ( -2.547 -4.440 -2.658) 5.767 11.052 ( -1.401 -0.509 -0.040) 1.491 11.131 ( -2.372 -2.229 -0.976) 3.399 13.110 ( -6.026 7.426 -3.819) 10.298 13.378 ( -3.349 -2.132 0.240) 3.978 13.717 ( 5.804 0.279 1.412) 5.979 13.771 ( 1.988 -1.397 0.041) 2.430 14.282 ( 3.297 0.172 -4.312) 5.431 14.492 ( 6.288 -4.421 -11.751) 14.042 15.382 ( -0.851 -1.467 10.770) 10.902 15.720 ( 9.806 -14.909 17.166) 24.761 16.763 ( 0.874 1.462 -1.466) 2.248 17.018 ( 2.042 -7.926 -1.819) 8.385 18.213 ( -7.113 15.962 5.533) 18.330 18.663 ( -15.307 7.369 -8.706) 19.089 19.514 ( -0.826 -2.140 2.358) 3.290 19.546 ( -0.332 -1.529 0.333) 1.600 ======================= Grid point 99 (47/144) ======================= q-point: ( 0.20 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 4.961 5.655 5.872) 9.543 1.532 ( 15.567 8.523 1.846) 17.843 1.665 ( 2.513 -3.668 -3.028) 5.379 2.005 ( 4.770 7.717 3.455) 9.707 2.156 ( 1.917 13.527 6.921) 15.315 2.289 ( 5.889 -6.026 6.318) 10.531 2.536 ( 5.533 -1.736 -0.392) 5.812 2.864 ( 8.363 4.576 3.844) 10.280 3.006 ( 2.844 5.467 1.977) 6.472 3.094 ( 5.864 -0.433 0.857) 5.942 3.159 ( 5.383 1.116 3.183) 6.352 3.420 ( 5.961 4.220 -1.374) 7.432 3.499 ( 7.001 -5.479 2.525) 9.242 3.695 ( 0.029 -2.114 -0.746) 2.242 3.722 ( 7.517 -1.884 -1.699) 7.933 3.785 ( 4.252 -5.396 -2.809) 7.422 3.977 ( -1.561 -1.897 3.320) 4.130 4.165 ( 5.494 -3.303 2.177) 6.770 4.320 ( 5.025 4.024 0.133) 6.439 4.579 ( 3.400 -1.107 -7.606) 8.405 4.759 ( -0.649 -1.291 0.901) 1.703 4.914 ( -13.089 -6.370 0.653) 14.572 7.104 ( -9.081 5.611 0.935) 10.716 7.584 ( -6.649 -8.981 0.811) 11.203 7.795 ( -1.752 6.462 1.909) 6.962 7.911 ( 5.247 0.670 -1.166) 5.417 8.085 ( 5.353 5.454 -4.428) 8.832 8.293 ( 5.125 2.270 -1.180) 5.728 8.628 ( 3.168 -7.075 -3.680) 8.581 8.711 ( 3.247 -7.361 -4.030) 8.998 8.844 ( 0.926 5.951 -0.073) 6.023 8.944 ( -1.534 5.823 0.728) 6.065 9.094 ( 1.190 -1.241 1.505) 2.285 9.247 ( 1.408 -1.950 -0.267) 2.420 9.566 ( 1.507 0.344 3.266) 3.613 9.841 ( -1.773 -6.800 -1.369) 7.159 10.389 ( -2.230 9.126 2.736) 9.785 10.807 ( -4.081 -4.413 -3.811) 7.117 11.014 ( -2.303 -0.897 0.602) 2.544 11.062 ( -3.878 -2.404 -0.933) 4.657 12.994 ( -4.745 6.311 -1.304) 8.002 13.294 ( -4.264 -3.649 0.642) 5.649 13.831 ( 4.192 0.405 -0.225) 4.217 13.854 ( 6.635 -0.158 0.602) 6.665 14.350 ( 3.684 1.191 -4.680) 6.074 14.607 ( 6.117 -5.450 -9.821) 12.790 15.371 ( -1.723 2.291 9.496) 9.919 15.873 ( 1.895 -16.432 15.109) 22.403 16.793 ( 2.266 2.267 0.020) 3.205 17.057 ( 1.676 -5.951 -0.627) 6.214 17.952 ( -17.103 17.197 7.280) 25.323 18.427 ( -6.421 2.930 -12.023) 13.942 19.491 ( -1.410 -1.993 1.099) 2.677 19.531 ( -1.125 -1.704 -0.172) 2.049 ======================= Grid point 100 (48/144) ======================= q-point: ( 0.30 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 6.751 -0.667 -0.702) 6.820 1.684 ( 3.066 -7.171 -7.585) 10.879 1.858 ( 11.207 5.126 -0.387) 12.329 2.079 ( -0.604 7.380 7.830) 10.777 2.163 ( 3.880 6.716 -0.632) 7.782 2.459 ( 8.678 -1.941 4.125) 9.802 2.611 ( 1.302 -2.881 -2.305) 3.913 3.005 ( 2.276 -0.580 3.387) 4.122 3.083 ( 4.279 9.402 -2.799) 10.702 3.202 ( 5.337 3.643 1.722) 6.688 3.297 ( 7.951 -4.437 2.768) 9.517 3.501 ( 0.908 0.237 3.878) 3.990 3.626 ( 2.573 -0.458 4.772) 5.440 3.660 ( 0.011 -3.575 -3.180) 4.785 3.840 ( 4.729 -1.359 -1.912) 5.279 3.957 ( 0.989 1.832 6.002) 6.353 3.986 ( 9.820 -5.973 -1.092) 11.546 4.266 ( 4.380 -7.289 4.973) 9.851 4.367 ( -1.444 4.010 -2.829) 5.115 4.520 ( -5.546 -0.261 -9.038) 10.607 4.724 ( -1.366 -2.889 -3.164) 4.497 4.880 ( 7.615 -4.131 -0.602) 8.684 6.922 ( -8.343 5.973 1.054) 10.315 7.442 ( -6.860 -9.906 0.705) 12.070 7.761 ( -1.762 7.999 1.068) 8.260 7.985 ( 2.727 1.548 -2.650) 4.105 8.224 ( 7.337 4.109 1.274) 8.505 8.394 ( 4.880 2.867 -1.277) 5.802 8.637 ( 0.018 -7.162 -8.451) 11.078 8.797 ( 4.210 -5.786 1.525) 7.316 8.825 ( -2.553 6.557 4.552) 8.381 8.954 ( 2.319 4.543 -1.563) 5.335 9.149 ( 3.053 -0.735 -0.197) 3.146 9.261 ( 0.318 -1.934 0.547) 2.035 9.588 ( -0.490 1.250 4.987) 5.164 9.816 ( -0.049 -4.842 -1.751) 5.149 10.349 ( -1.994 7.496 2.348) 8.104 10.709 ( -4.558 -4.716 -4.161) 7.767 10.960 ( -3.024 -0.868 -0.579) 3.199 10.989 ( -2.685 -2.157 0.815) 3.539 12.911 ( -3.276 5.054 -0.502) 6.044 13.217 ( -3.324 -4.889 0.760) 5.960 13.919 ( 4.367 2.438 -0.135) 5.003 14.001 ( 7.326 -0.487 0.086) 7.343 14.406 ( 2.343 1.565 -4.615) 5.408 14.710 ( 5.354 -6.960 -7.129) 11.311 15.341 ( -2.464 4.681 9.247) 10.653 15.849 ( -5.940 -12.426 12.134) 18.355 16.849 ( 2.770 3.075 1.261) 4.327 17.073 ( -0.153 -2.672 0.635) 2.751 17.629 ( -13.971 17.204 2.624) 22.317 18.323 ( -2.423 -5.352 -10.271) 11.832 19.467 ( -0.905 -1.900 -0.062) 2.105 19.501 ( -1.637 -1.532 -0.362) 2.271 ======================= Grid point 101 (49/144) ======================= q-point: ( 0.40 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 5.316 -3.499 -6.126) 8.833 1.734 ( 2.874 -2.707 -6.992) 8.029 1.957 ( -3.223 1.264 0.354) 3.480 2.071 ( 4.567 0.033 4.572) 6.463 2.319 ( 6.033 0.165 -3.990) 7.235 2.578 ( 1.924 -3.846 3.009) 5.249 2.661 ( 5.412 3.003 -2.080) 6.529 2.994 ( -2.186 2.128 1.058) 3.229 3.111 ( -0.138 4.612 -5.695) 7.330 3.304 ( 3.112 5.990 -1.044) 6.831 3.469 ( 7.184 -6.184 -0.849) 9.517 3.478 ( -3.217 2.560 1.490) 4.373 3.585 ( -3.902 -2.560 0.341) 4.679 3.699 ( 0.675 0.181 2.207) 2.315 3.881 ( -1.409 -1.868 -0.492) 2.391 3.979 ( 1.734 -3.827 4.640) 6.259 4.176 ( 6.863 -2.841 -0.879) 7.479 4.282 ( -2.166 -0.738 -2.145) 3.136 4.373 ( 0.558 -3.397 1.587) 3.791 4.429 ( 1.475 -2.189 -1.121) 2.868 4.775 ( 3.921 0.965 -3.109) 5.096 5.011 ( 4.626 -4.464 -2.342) 6.842 6.785 ( -4.787 6.254 1.654) 8.048 7.322 ( -4.546 -9.964 0.539) 10.965 7.726 ( -1.777 8.246 -0.057) 8.435 8.029 ( 2.029 1.573 -2.116) 3.327 8.355 ( 4.804 3.021 1.252) 5.812 8.481 ( 3.624 3.544 -0.832) 5.137 8.633 ( 0.883 -3.842 -4.931) 6.314 8.768 ( -2.971 3.765 5.729) 7.471 8.886 ( 3.596 -4.004 1.426) 5.568 9.008 ( 2.641 2.682 0.305) 3.776 9.186 ( 0.717 -0.844 -1.132) 1.584 9.277 ( 1.014 -1.316 -0.302) 1.689 9.562 ( -2.388 2.986 6.231) 7.310 9.832 ( 1.550 -4.248 -0.531) 4.553 10.313 ( -1.826 6.095 1.147) 6.465 10.626 ( -2.524 -4.839 -3.509) 6.489 10.901 ( -2.391 -0.999 -1.098) 2.814 10.954 ( -1.101 -1.363 1.498) 2.306 12.858 ( -1.824 4.267 -0.332) 4.652 13.162 ( -2.134 -5.536 0.441) 5.949 14.002 ( 3.456 4.457 0.331) 5.650 14.139 ( 5.610 -0.710 -0.675) 5.695 14.430 ( 0.833 1.898 -4.483) 4.939 14.809 ( 5.206 -9.071 -2.504) 10.754 15.310 ( -1.660 4.749 7.664) 9.168 15.689 ( -10.599 -7.209 8.714) 15.500 16.893 ( 0.956 2.929 1.554) 3.451 17.057 ( -1.424 -1.147 0.592) 1.921 17.422 ( -5.820 16.393 -0.465) 17.402 18.291 ( 0.535 -9.829 -7.964) 12.662 19.450 ( -0.902 -1.968 -1.602) 2.693 19.472 ( -0.801 -1.464 0.205) 1.681 ======================= Grid point 102 (50/144) ======================= q-point: (-0.50 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 3.317 -0.689 -9.995) 10.554 1.767 ( 0.477 1.913 -2.421) 3.122 1.844 ( -6.481 1.936 1.828) 7.007 2.178 ( 1.287 -8.950 -1.288) 9.134 2.361 ( 3.087 -5.394 -1.347) 6.359 2.621 ( 0.528 -4.862 -0.362) 4.904 2.710 ( -1.556 3.938 -2.874) 5.117 2.958 ( -0.855 4.489 1.744) 4.891 3.127 ( 3.276 6.004 -9.462) 11.676 3.306 ( -1.727 2.958 -3.351) 4.792 3.363 ( -6.314 7.568 -4.140) 10.690 3.501 ( -4.219 -4.521 1.277) 6.315 3.573 ( 1.032 -6.113 -6.723) 9.145 3.669 ( -2.968 1.348 1.858) 3.752 3.783 ( -6.498 -1.306 2.877) 7.226 4.045 ( 3.573 -6.527 3.851) 8.378 4.228 ( -1.700 -2.598 -3.369) 4.582 4.258 ( -0.233 -1.352 1.561) 2.079 4.431 ( 3.817 -2.084 4.228) 6.066 4.478 ( 2.585 -2.601 0.767) 3.747 4.822 ( 0.650 1.519 -2.254) 2.795 5.048 ( -0.604 -4.334 -3.521) 5.617 6.747 ( 0.977 6.049 2.510) 6.621 7.271 ( -0.195 -9.633 0.305) 9.640 7.689 ( -1.758 7.788 -0.879) 8.032 8.053 ( 0.249 0.075 -2.290) 2.305 8.424 ( 2.237 2.060 -0.953) 3.187 8.537 ( 1.915 4.386 -0.101) 4.787 8.649 ( 0.114 2.856 4.654) 5.462 8.727 ( -1.353 0.370 0.606) 1.528 8.937 ( 0.920 -4.262 0.924) 4.457 9.050 ( 0.874 0.206 4.016) 4.115 9.197 ( 0.838 0.210 -2.690) 2.825 9.280 ( -0.938 -2.189 -0.725) 2.489 9.532 ( -1.009 5.027 6.481) 8.264 9.868 ( 1.778 -4.288 1.065) 4.763 10.283 ( -1.012 5.470 -0.082) 5.563 10.607 ( 1.171 -5.100 -2.794) 5.932 10.863 ( -1.081 -0.390 -0.966) 1.501 10.947 ( 0.205 -1.078 1.266) 1.675 12.836 ( -0.181 3.990 -0.412) 4.016 13.132 ( -0.704 -5.531 -0.068) 5.576 14.050 ( 0.926 5.648 0.961) 5.803 14.199 ( -0.190 -0.498 -1.358) 1.459 14.442 ( 1.589 2.396 -3.953) 4.888 14.917 ( 4.586 -11.129 2.362) 12.267 15.284 ( -2.840 2.813 4.965) 6.374 15.492 ( -7.420 -2.792 4.642) 9.188 16.893 ( -1.000 2.259 1.016) 2.671 17.023 ( -1.586 -0.915 -0.785) 1.992 17.387 ( 1.863 16.190 -0.176) 16.298 18.319 ( 3.313 -10.842 -5.574) 12.633 19.426 ( -0.922 -1.372 -1.920) 2.533 19.472 ( 0.557 -2.415 -0.049) 2.479 ======================= Grid point 103 (51/144) ======================= q-point: (-0.40 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( -2.356 5.258 -12.092) 13.394 1.643 ( -10.293 3.338 4.990) 11.916 1.817 ( 2.453 5.222 -3.733) 6.872 2.115 ( -4.695 -11.140 -0.439) 12.097 2.418 ( -1.948 -2.981 -0.392) 3.583 2.555 ( -5.085 -2.583 -0.447) 5.721 2.693 ( 1.941 -2.650 -2.581) 4.178 2.948 ( -2.210 2.858 0.409) 3.636 3.124 ( -2.714 3.676 -6.431) 7.889 3.194 ( -7.275 8.009 -7.707) 13.283 3.335 ( -1.285 12.765 -1.618) 12.931 3.373 ( -4.505 -3.406 -2.381) 6.129 3.488 ( -3.333 -7.642 -1.782) 8.525 3.608 ( -4.637 -1.729 0.492) 4.973 3.737 ( 1.611 -2.864 1.523) 3.622 4.107 ( -0.189 -8.356 -1.919) 8.575 4.137 ( -5.015 -1.999 0.270) 5.405 4.206 ( -5.286 -3.785 2.219) 6.870 4.459 ( -0.074 0.531 0.528) 0.752 4.591 ( 6.336 -2.299 2.132) 7.069 4.796 ( -2.473 1.058 -0.936) 2.848 4.980 ( -5.189 -3.786 -3.570) 7.349 6.828 ( 6.110 5.438 3.127) 8.756 7.317 ( 4.436 -9.116 0.242) 10.141 7.654 ( -1.407 6.675 -1.335) 6.951 8.021 ( -2.905 -1.831 -3.329) 4.782 8.447 ( -0.150 2.516 -0.530) 2.576 8.570 ( 1.849 4.428 -0.496) 4.824 8.639 ( -2.297 7.019 12.162) 14.229 8.713 ( -0.009 -2.189 -4.536) 5.037 8.925 ( -1.991 -3.458 -0.681) 4.048 9.059 ( -0.257 0.132 4.547) 4.556 9.184 ( -2.735 -0.177 -3.658) 4.571 9.252 ( -0.905 -4.057 1.156) 4.315 9.547 ( 1.337 5.799 5.382) 8.024 9.898 ( 0.595 -4.064 1.992) 4.565 10.282 ( 1.087 5.773 0.055) 5.874 10.658 ( 4.012 -5.891 -3.319) 7.862 10.857 ( 0.822 0.503 -0.699) 1.191 10.966 ( 1.493 -0.979 1.006) 2.049 12.850 ( 1.575 4.230 -0.595) 4.553 13.135 ( 1.083 -5.040 -0.444) 5.174 14.039 ( -2.068 5.137 1.655) 5.780 14.134 ( -5.253 0.366 -1.131) 5.385 14.491 ( 3.401 2.155 -3.155) 5.115 14.898 ( -8.391 -7.380 -0.230) 11.177 15.266 ( 3.101 -0.114 4.577) 5.530 15.442 ( 0.275 -4.571 3.892) 6.010 16.857 ( -2.554 2.305 0.082) 3.442 17.000 ( -0.404 -1.068 -1.758) 2.096 17.476 ( 6.429 16.846 1.022) 18.060 18.414 ( 6.758 -10.187 -3.003) 12.588 19.412 ( -0.179 -1.143 -1.783) 2.125 19.490 ( 1.111 -3.128 -0.326) 3.335 ======================= Grid point 104 (52/144) ======================= q-point: (-0.30 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( -11.778 8.749 -5.965) 15.838 1.443 ( -10.248 10.488 -0.408) 14.669 1.877 ( 3.000 7.885 -2.711) 8.861 2.016 ( -4.885 -11.667 1.190) 12.704 2.282 ( -9.855 1.438 4.081) 10.763 2.502 ( -0.860 -3.918 4.313) 5.890 2.681 ( -5.058 1.550 -1.844) 5.603 2.782 ( -11.004 2.708 -1.419) 11.421 3.025 ( -6.457 3.974 -4.007) 8.575 3.051 ( -4.982 11.390 -4.881) 13.356 3.222 ( -3.154 -2.463 -2.220) 4.577 3.405 ( 0.014 8.134 -1.650) 8.299 3.474 ( 1.876 -6.431 -3.229) 7.437 3.525 ( -2.861 -4.282 -1.230) 5.294 3.790 ( 1.626 -3.927 3.224) 5.335 3.940 ( -7.642 -8.927 -6.834) 13.594 4.060 ( -6.176 -4.866 0.691) 7.893 4.157 ( -0.289 -3.504 5.228) 6.300 4.421 ( -4.105 2.838 -4.789) 6.917 4.683 ( 0.438 -4.661 -1.996) 5.089 4.764 ( 1.101 1.001 1.440) 2.071 4.860 ( -4.355 -2.224 0.449) 4.910 6.987 ( 8.463 4.927 3.287) 10.329 7.441 ( 7.253 -8.642 0.599) 11.298 7.630 ( -0.621 5.238 -1.732) 5.551 7.932 ( -4.866 -2.253 -3.810) 6.578 8.407 ( -3.732 2.484 0.899) 4.572 8.590 ( -3.701 3.767 6.789) 8.601 8.620 ( 2.516 3.904 -3.314) 5.706 8.701 ( -1.213 0.479 2.233) 2.586 8.865 ( -3.225 -1.817 -2.008) 4.211 9.067 ( 0.627 1.639 2.347) 2.931 9.080 ( -5.769 -1.812 -4.580) 7.585 9.246 ( -0.332 -5.333 3.328) 6.295 9.583 ( 0.950 4.681 3.841) 6.130 9.892 ( -1.379 -3.422 1.488) 3.978 10.324 ( 2.697 6.693 1.153) 7.307 10.744 ( 4.604 -6.711 -4.242) 9.177 10.898 ( 3.213 1.037 -0.037) 3.376 11.012 ( 2.803 -0.843 0.549) 2.979 12.899 ( 3.345 4.971 -0.902) 6.059 13.176 ( 2.993 -4.321 -0.580) 5.288 13.978 ( -4.016 3.348 2.088) 5.630 14.008 ( -6.452 0.961 0.052) 6.523 14.553 ( 2.199 0.364 -5.880) 6.288 14.671 ( -10.650 -1.241 -2.509) 11.012 15.329 ( 0.127 -1.951 -2.302) 3.020 15.486 ( 2.804 -8.619 12.327) 15.300 16.795 ( -3.106 2.714 -1.046) 4.256 16.995 ( 0.023 -2.231 -2.272) 3.184 17.647 ( 9.807 18.750 1.890) 21.244 18.590 ( 10.562 -8.885 0.023) 13.802 19.412 ( 0.378 -1.025 -1.436) 1.804 19.514 ( 1.226 -3.314 -0.379) 3.553 ======================= Grid point 105 (53/144) ======================= q-point: (-0.20 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( -9.403 15.018 0.407) 17.723 1.210 ( -11.729 15.157 1.383) 19.215 1.878 ( -3.981 3.858 0.076) 5.544 1.940 ( -2.380 -11.078 2.633) 11.633 2.055 ( -12.332 12.505 9.553) 19.992 2.354 ( -13.573 3.927 7.645) 16.065 2.610 ( -0.511 5.665 -9.703) 11.248 2.667 ( 0.802 -0.568 3.622) 3.753 2.914 ( -3.467 2.795 -2.144) 4.942 2.975 ( -2.686 9.217 -0.027) 9.600 3.130 ( -4.942 -1.232 0.036) 5.094 3.314 ( -7.645 0.677 -2.607) 8.105 3.450 ( -2.366 -3.037 -7.187) 8.153 3.545 ( 2.480 -5.273 -1.065) 5.924 3.653 ( -9.551 -6.192 -3.619) 11.944 3.905 ( -3.360 -0.246 3.043) 4.540 4.036 ( 4.134 -7.720 -1.539) 8.891 4.163 ( 1.694 -5.873 0.807) 6.166 4.275 ( -8.379 3.609 -4.899) 10.355 4.596 ( -6.026 -4.980 -4.865) 9.208 4.816 ( 3.016 0.330 2.134) 3.709 4.884 ( 5.324 -1.191 7.475) 9.254 7.166 ( 8.094 4.838 3.099) 9.926 7.590 ( 5.272 -6.315 1.402) 8.345 7.630 ( 2.032 2.273 -2.643) 4.035 7.831 ( -3.658 -1.961 -3.106) 5.184 8.304 ( -6.227 1.790 0.913) 6.543 8.501 ( -5.230 2.889 -1.560) 6.175 8.598 ( -5.707 -2.871 -3.184) 7.138 8.706 ( 2.280 3.865 2.373) 5.076 8.799 ( -3.491 1.953 1.954) 4.452 8.967 ( -2.776 -2.528 -7.716) 8.581 9.102 ( 2.046 1.047 2.092) 3.108 9.241 ( -0.851 -5.889 4.115) 7.235 9.588 ( -1.031 3.283 2.786) 4.428 9.859 ( -1.638 -3.179 0.290) 3.587 10.384 ( 2.646 8.031 1.684) 8.621 10.825 ( 3.828 -6.495 -3.553) 8.334 10.976 ( 3.916 0.671 0.024) 3.973 11.077 ( 3.344 -0.833 -0.130) 3.449 12.985 ( 5.361 6.042 -1.686) 8.251 13.253 ( 4.439 -3.532 -0.607) 5.705 13.865 ( -6.892 1.136 1.525) 7.150 13.903 ( -4.083 1.317 1.824) 4.662 14.419 ( -8.808 1.521 -10.254) 13.603 14.618 ( 0.541 -4.457 -4.633) 6.452 15.266 ( -4.742 -0.008 0.581) 4.777 15.549 ( 0.270 -9.058 14.411) 17.024 16.746 ( -1.075 2.244 -1.822) 3.084 16.989 ( -0.208 -4.342 -2.637) 5.084 17.869 ( 11.138 21.319 1.982) 24.134 18.834 ( 12.354 -8.363 2.541) 15.134 19.420 ( 0.540 -0.409 -0.751) 1.011 19.535 ( 0.818 -2.687 -0.140) 2.812 ======================= Grid point 106 (54/144) ======================= q-point: (-0.10 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( -2.140 19.324 6.690) 20.561 1.016 ( -6.733 17.627 8.136) 20.548 1.743 ( -7.198 3.249 6.255) 10.075 1.859 ( -5.973 16.635 5.561) 18.529 1.925 ( -0.521 -8.941 6.723) 11.199 2.133 ( -8.795 8.110 6.950) 13.836 2.564 ( -1.741 5.027 -7.918) 9.539 2.732 ( 0.754 -0.041 2.819) 2.918 2.865 ( -1.480 4.152 0.627) 4.453 2.917 ( -1.437 5.997 4.378) 7.563 3.082 ( -2.875 0.480 0.318) 2.933 3.165 ( -0.867 0.139 -3.362) 3.475 3.401 ( -1.062 -2.177 -8.225) 8.574 3.493 ( -4.087 -9.466 -5.479) 11.676 3.597 ( 2.045 -5.193 0.679) 5.622 3.805 ( -6.920 3.066 -1.947) 7.816 3.999 ( -6.558 -1.052 -2.738) 7.184 4.097 ( -3.408 -0.016 -0.692) 3.478 4.276 ( 3.863 -1.905 -2.998) 5.248 4.475 ( -4.811 -4.614 -3.348) 7.459 4.873 ( 1.839 0.860 2.151) 2.958 5.086 ( 11.490 -6.395 15.696) 20.476 7.310 ( 4.990 5.229 2.644) 7.696 7.627 ( 1.561 1.395 -1.900) 2.827 7.676 ( -0.525 -1.898 -1.617) 2.548 7.842 ( 5.362 -5.875 -0.054) 7.954 8.166 ( -6.864 1.962 -0.368) 7.148 8.349 ( -9.396 6.045 -9.464) 14.642 8.467 ( -4.426 -6.512 -0.996) 7.936 8.693 ( -3.944 -0.593 2.669) 4.799 8.789 ( 2.807 3.606 -2.777) 5.348 8.956 ( 1.658 -1.837 -3.410) 4.214 9.146 ( 1.608 1.149 0.446) 2.026 9.219 ( -2.038 -5.526 4.204) 7.236 9.558 ( -1.893 1.885 2.177) 3.446 9.841 ( 0.085 -4.076 0.202) 4.082 10.432 ( 1.702 9.229 1.436) 9.494 10.887 ( 2.496 -5.938 -1.985) 6.740 11.044 ( 2.451 0.342 -0.435) 2.513 11.135 ( 2.053 -1.115 -0.576) 2.406 13.113 ( 7.242 6.606 -4.234) 10.677 13.345 ( 4.196 -2.636 -0.227) 4.960 13.723 ( -6.896 1.590 1.845) 7.313 13.830 ( -3.346 -0.688 1.525) 3.740 14.265 ( -4.221 2.182 -10.031) 11.100 14.556 ( -5.425 -8.411 -10.636) 14.605 15.217 ( 0.827 2.377 12.180) 12.437 15.539 ( -2.639 -7.149 13.027) 15.093 16.743 ( 0.697 1.147 -1.994) 2.404 16.982 ( 0.007 -6.424 -2.670) 6.956 18.088 ( 9.432 22.461 1.170) 24.389 19.044 ( 5.536 -9.809 0.587) 11.278 19.439 ( 1.764 1.485 1.699) 2.864 19.546 ( 0.191 -1.613 0.399) 1.673 ======================= Grid point 107 (55/144) ======================= q-point: ( 0.00 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( -1.658 14.796 10.044) 17.960 1.370 ( 4.865 17.969 3.850) 19.010 1.551 ( -2.442 -11.633 6.344) 13.473 1.691 ( 3.751 -13.873 2.984) 14.678 2.186 ( -1.408 8.529 4.050) 9.546 2.228 ( -1.063 8.132 7.770) 11.298 2.552 ( -1.261 6.291 0.177) 6.419 2.713 ( -0.237 -5.456 1.150) 5.581 2.932 ( -1.108 7.985 -0.178) 8.063 3.014 ( 1.828 1.511 3.056) 3.868 3.073 ( 0.184 3.301 -3.540) 4.844 3.165 ( 2.358 -8.136 0.588) 8.491 3.314 ( 3.256 -4.200 -5.669) 7.771 3.321 ( 4.237 -5.744 -1.906) 7.388 3.679 ( 0.187 8.184 -4.377) 9.283 3.847 ( -3.271 -4.309 -8.574) 10.138 3.858 ( 1.729 6.149 -0.115) 6.388 3.993 ( -0.338 -5.002 -1.994) 5.395 4.311 ( 0.051 0.092 4.032) 4.033 4.332 ( -0.834 -2.244 4.464) 5.065 4.952 ( -0.187 4.638 6.254) 7.788 5.079 ( 0.781 -8.254 11.711) 14.349 7.487 ( -1.020 7.193 1.301) 7.381 7.614 ( -0.279 -4.601 -0.114) 4.611 7.712 ( 3.193 1.894 -1.592) 4.039 7.779 ( 1.531 -5.629 0.259) 5.840 8.165 ( 0.461 4.975 -0.898) 5.076 8.258 ( -2.460 -1.827 -5.405) 6.214 8.367 ( -1.309 4.525 -5.695) 7.390 8.522 ( -2.558 -8.221 -8.865) 12.358 8.900 ( 1.353 5.082 -1.841) 5.572 8.987 ( 2.331 -2.541 -0.435) 3.476 9.120 ( -1.691 0.413 5.918) 6.169 9.161 ( 0.421 -2.179 3.304) 3.980 9.592 ( -1.333 5.493 -0.034) 5.653 9.722 ( -0.600 -7.039 -1.254) 7.175 10.634 ( 0.337 8.590 0.358) 8.604 10.789 ( 0.498 -7.068 -0.802) 7.131 11.083 ( -0.306 1.348 -0.472) 1.461 11.118 ( -0.399 -2.011 -0.525) 2.116 13.304 ( 0.804 3.682 -3.416) 5.087 13.363 ( 1.185 -2.363 -0.227) 2.653 13.676 ( -1.147 2.224 1.568) 2.953 13.724 ( -2.052 -2.501 1.525) 3.577 14.271 ( 0.805 3.248 -9.269) 9.855 14.350 ( 0.244 -4.529 -10.497) 11.435 15.334 ( 2.490 2.994 11.463) 12.107 15.421 ( 1.524 -5.323 10.826) 12.160 16.788 ( 0.651 2.654 -2.332) 3.592 16.862 ( 0.676 -4.942 -2.365) 5.521 18.586 ( 0.245 15.681 1.688) 15.774 18.846 ( -3.580 -10.262 -0.242) 10.871 19.500 ( 0.362 0.720 2.556) 2.680 19.521 ( -0.075 -1.305 1.461) 1.960 ======================= Grid point 108 (56/144) ======================= q-point: ( 0.10 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( -0.791 11.610 6.592) 13.374 1.479 ( -1.064 -3.751 2.460) 4.610 1.558 ( 8.598 9.385 3.756) 13.271 1.826 ( 8.597 -11.960 1.026) 14.765 2.211 ( 2.805 7.622 7.141) 10.815 2.296 ( 5.048 2.865 6.916) 9.029 2.547 ( 0.324 9.672 0.749) 9.706 2.732 ( 2.236 -5.871 1.911) 6.567 2.975 ( 4.592 7.759 0.989) 9.070 3.090 ( 4.506 0.608 3.443) 5.703 3.124 ( 4.714 5.157 -3.458) 7.796 3.222 ( 4.187 -8.082 1.528) 9.229 3.368 ( 4.044 -0.113 -2.758) 4.897 3.430 ( 6.212 -7.224 0.214) 9.530 3.656 ( -0.504 3.995 -4.298) 5.889 3.759 ( -3.643 -4.610 -9.863) 11.481 3.955 ( 4.519 3.380 4.249) 7.065 4.027 ( 2.987 -2.595 1.625) 4.278 4.318 ( 1.823 2.842 4.381) 5.532 4.386 ( 5.450 -3.587 -0.060) 6.525 4.899 ( -5.702 4.410 4.043) 8.265 5.015 ( -8.151 -7.165 7.310) 13.085 7.401 ( -6.892 7.364 1.012) 10.136 7.552 ( -5.914 -7.494 0.680) 9.571 7.802 ( 5.506 0.864 0.445) 5.591 7.821 ( 3.192 -1.101 1.650) 3.758 8.198 ( 0.344 6.656 -11.950) 13.683 8.242 ( 3.704 2.649 -3.028) 5.469 8.419 ( 5.250 -2.585 -0.087) 5.852 8.499 ( 1.731 -8.444 -6.745) 10.945 8.927 ( 1.642 5.499 -1.710) 5.988 9.025 ( 1.467 -3.673 -1.648) 4.285 9.090 ( -1.942 3.941 6.005) 7.440 9.171 ( 0.301 -3.280 2.772) 4.305 9.582 ( 0.418 4.976 -0.007) 4.993 9.712 ( -0.201 -7.548 -1.796) 7.761 10.617 ( -1.930 8.767 0.629) 8.999 10.771 ( -2.070 -6.688 -1.148) 7.095 11.055 ( -2.192 0.881 -0.189) 2.370 11.086 ( -2.556 -2.109 -0.703) 3.387 13.233 ( -5.759 5.130 -1.810) 7.922 13.319 ( -4.708 -3.685 -0.040) 5.979 13.728 ( 4.898 0.805 0.847) 5.035 13.747 ( 3.633 -1.059 0.317) 3.798 14.316 ( 4.254 3.095 -7.937) 9.522 14.397 ( 5.124 -4.789 -10.367) 12.516 15.403 ( 2.292 3.459 10.618) 11.400 15.512 ( 4.931 -7.506 12.312) 15.239 16.807 ( 1.657 3.102 -1.776) 3.940 16.888 ( 2.215 -5.214 -1.906) 5.976 18.497 ( -9.210 12.203 2.381) 15.473 18.674 ( -11.897 -5.066 -2.332) 13.139 19.496 ( -0.958 0.218 2.165) 2.378 19.515 ( -0.700 -1.469 1.139) 1.986 ======================= Grid point 109 (57/144) ======================= q-point: ( 0.20 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 0.343 8.067 0.619) 8.098 1.452 ( -0.120 -9.473 -2.715) 9.855 1.798 ( 12.481 11.752 1.486) 17.207 2.019 ( 9.481 -8.989 -0.565) 13.077 2.271 ( 0.822 7.425 5.868) 9.499 2.392 ( 2.231 -0.610 4.763) 5.295 2.574 ( 2.829 11.724 2.008) 12.226 2.813 ( 4.960 -8.868 4.867) 11.266 3.085 ( 5.353 3.814 1.818) 6.820 3.156 ( 2.042 -0.058 0.240) 2.057 3.247 ( 6.597 7.651 -0.972) 10.149 3.349 ( 6.711 -3.008 1.763) 7.563 3.486 ( 7.008 -0.013 -2.172) 7.337 3.586 ( 7.255 -9.049 -1.718) 11.724 3.675 ( 3.001 0.236 -1.602) 3.410 3.710 ( 2.697 -2.665 -4.313) 5.743 4.001 ( 0.254 3.595 8.983) 9.679 4.084 ( 1.545 -4.369 7.371) 8.706 4.422 ( 6.449 5.692 -1.360) 8.708 4.527 ( 6.563 -4.352 -4.101) 8.879 4.759 ( -6.594 1.545 0.822) 6.822 4.814 ( -10.241 -3.871 1.092) 11.003 7.237 ( -8.724 7.727 0.955) 11.693 7.404 ( -8.024 -8.942 0.982) 12.055 7.887 ( 2.129 2.810 1.912) 4.010 7.916 ( 4.753 -0.377 0.844) 4.842 8.212 ( 3.581 7.004 -10.033) 12.749 8.319 ( 4.199 -1.712 -6.856) 8.220 8.513 ( 3.532 -1.911 -2.312) 4.634 8.574 ( 5.182 -6.080 0.624) 8.013 8.959 ( 1.205 5.180 0.116) 5.319 9.034 ( -0.981 -0.936 4.223) 4.435 9.084 ( 1.689 3.903 -1.382) 4.472 9.183 ( 0.435 -4.506 2.248) 5.055 9.605 ( 1.496 3.788 1.012) 4.197 9.709 ( 0.157 -6.284 -1.489) 6.460 10.563 ( -3.217 8.200 0.159) 8.810 10.706 ( -3.933 -6.063 -2.353) 7.600 11.001 ( -2.853 -0.042 0.760) 2.953 11.018 ( -3.667 -1.702 -0.236) 4.050 13.111 ( -5.474 5.450 -0.726) 7.758 13.211 ( -5.271 -4.669 0.248) 7.046 13.842 ( 5.624 0.567 0.157) 5.655 13.850 ( 6.271 -0.288 0.476) 6.295 14.397 ( 4.387 3.669 -7.408) 9.358 14.492 ( 5.120 -5.685 -9.324) 12.061 15.455 ( 0.898 6.161 10.146) 11.904 15.616 ( 2.448 -10.195 11.845) 15.819 16.855 ( 3.150 3.887 -0.652) 5.045 16.945 ( 3.332 -5.190 -0.886) 6.231 18.238 ( -15.260 11.620 2.009) 19.286 18.406 ( -12.679 -5.056 -4.537) 14.384 19.475 ( -1.245 0.354 1.311) 1.843 19.497 ( -1.170 -1.635 0.635) 2.108 ======================= Grid point 110 (58/144) ======================= q-point: ( 0.30 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 3.420 5.342 -5.199) 8.201 1.474 ( 3.089 -10.790 -7.195) 13.331 2.013 ( 6.684 8.945 -2.795) 11.511 2.177 ( 4.830 -6.100 -3.903) 8.705 2.252 ( -1.914 9.139 5.222) 10.699 2.417 ( 0.936 -6.098 4.468) 7.617 2.673 ( 5.999 12.241 2.970) 13.951 2.923 ( 3.912 -9.303 4.568) 11.077 3.176 ( 1.527 0.132 -1.335) 2.033 3.196 ( 4.095 -2.835 -0.453) 5.001 3.375 ( 5.927 9.612 -2.452) 11.556 3.464 ( 4.112 0.799 2.593) 4.927 3.587 ( 2.018 -2.224 0.008) 3.003 3.667 ( 4.407 -2.647 0.450) 5.161 3.777 ( 3.496 -1.244 -2.959) 4.746 3.843 ( 6.157 -5.651 2.971) 8.869 4.046 ( 3.884 4.823 7.912) 10.047 4.143 ( 3.505 -5.216 7.665) 9.912 4.441 ( -4.778 3.303 -4.216) 7.177 4.496 ( -7.041 -2.156 -6.828) 10.042 4.719 ( 3.983 2.257 -1.121) 4.713 4.792 ( 6.570 -4.517 -0.526) 7.990 7.065 ( -7.901 8.274 1.083) 11.492 7.244 ( -7.378 -9.718 1.072) 12.248 7.907 ( 0.003 6.086 -1.209) 6.205 7.986 ( 2.309 -1.784 -1.241) 3.171 8.305 ( 5.736 4.333 -4.204) 8.328 8.396 ( 4.364 -3.922 -7.560) 9.570 8.574 ( 3.111 2.580 0.103) 4.043 8.674 ( 4.179 -6.148 1.869) 7.665 8.959 ( -1.535 6.092 5.066) 8.071 9.028 ( -0.021 0.780 3.668) 3.750 9.132 ( 2.740 0.865 -2.990) 4.146 9.199 ( 1.104 -4.082 0.247) 4.236 9.634 ( 0.731 3.386 2.659) 4.367 9.717 ( 0.856 -4.830 -0.258) 4.912 10.494 ( -3.341 6.781 -0.930) 7.616 10.613 ( -4.388 -5.248 -3.475) 7.673 10.943 ( -3.013 -0.433 0.530) 3.090 10.952 ( -2.450 -1.351 1.762) 3.306 13.013 ( -3.928 5.204 -0.267) 6.526 13.116 ( -3.928 -5.168 0.331) 6.500 13.962 ( 5.992 1.797 0.261) 6.261 13.988 ( 6.889 -0.891 0.358) 6.955 14.461 ( 2.846 4.135 -6.375) 8.114 14.570 ( 3.803 -6.663 -7.233) 10.544 15.462 ( -1.708 7.393 9.387) 12.071 15.631 ( -2.614 -9.669 10.157) 14.265 16.922 ( 2.964 4.145 0.582) 5.129 17.005 ( 2.067 -4.010 0.492) 4.538 17.937 ( -12.874 13.794 -0.778) 18.884 18.172 ( -8.717 -9.853 -5.654) 14.318 19.451 ( -1.123 0.265 0.456) 1.241 19.471 ( -1.391 -1.450 0.204) 2.020 ======================= Grid point 111 (59/144) ======================= q-point: ( 0.40 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 6.225 4.690 -9.619) 12.380 1.561 ( 6.715 -10.837 -10.251) 16.359 2.025 ( -4.017 5.658 -2.751) 7.464 2.132 ( -4.684 -1.922 0.110) 5.064 2.306 ( 2.689 4.756 -0.169) 5.467 2.463 ( 2.527 -7.767 3.271) 8.799 2.798 ( 4.386 9.139 1.825) 10.300 2.963 ( -0.138 -5.968 2.203) 6.363 3.192 ( 2.438 4.428 -4.744) 6.932 3.312 ( 5.931 -7.125 -2.385) 9.573 3.446 ( 0.689 5.438 -4.697) 7.219 3.519 ( -0.221 0.351 0.469) 0.626 3.586 ( -1.424 4.527 0.974) 4.845 3.736 ( 0.877 -2.576 2.539) 3.722 3.788 ( -0.855 -0.573 -2.434) 2.643 3.893 ( -0.885 -5.878 4.837) 7.664 4.162 ( 4.583 1.659 2.347) 5.410 4.221 ( 1.888 -3.879 2.912) 5.205 4.362 ( -0.535 1.233 -0.332) 1.384 4.393 ( -0.578 -1.714 -1.616) 2.426 4.823 ( 4.562 3.801 -1.752) 6.191 4.914 ( 4.578 -5.048 -1.815) 7.052 6.933 ( -4.681 8.606 1.406) 9.897 7.120 ( -4.572 -10.040 1.126) 11.090 7.891 ( -1.040 7.819 -3.683) 8.705 8.012 ( 0.595 -3.734 -3.423) 5.100 8.403 ( 4.012 2.772 -2.380) 5.427 8.473 ( 4.178 -3.719 -4.611) 7.249 8.647 ( 3.622 4.726 2.218) 6.354 8.749 ( 2.636 -4.811 3.054) 6.278 8.929 ( -1.968 6.295 6.246) 9.084 9.027 ( -0.997 -2.162 5.334) 5.841 9.176 ( 2.035 1.059 -2.772) 3.598 9.227 ( 1.331 -3.175 -1.821) 3.894 9.642 ( -0.234 4.752 3.966) 6.194 9.740 ( 1.167 -4.967 1.419) 5.296 10.430 ( -2.492 5.511 -2.212) 6.440 10.531 ( -2.662 -4.790 -3.770) 6.651 10.894 ( -1.798 0.499 1.105) 2.169 10.919 ( -1.123 -1.840 2.276) 3.135 12.950 ( -2.191 4.964 -0.182) 5.429 13.053 ( -2.282 -5.373 0.175) 5.840 14.077 ( 4.788 2.988 0.528) 5.669 14.120 ( 5.369 -1.402 0.023) 5.549 14.497 ( 1.760 5.098 -4.887) 7.278 14.632 ( 3.345 -8.270 -3.880) 9.728 15.420 ( -3.456 6.182 7.499) 10.315 15.550 ( -6.269 -6.819 7.703) 12.048 16.958 ( 0.219 3.419 0.892) 3.540 17.020 ( -0.710 -2.607 0.746) 2.802 17.748 ( -4.902 16.119 -2.599) 17.047 18.050 ( -2.289 -14.091 -5.548) 15.316 19.431 ( -0.918 0.009 -0.384) 0.994 19.445 ( -1.009 -1.218 -0.058) 1.582 ======================= Grid point 112 (60/144) ======================= q-point: (-0.50 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 7.546 6.741 -11.851) 15.583 1.695 ( 6.652 -8.461 -9.591) 14.417 1.906 ( -5.871 4.627 -0.773) 7.515 2.026 ( -5.498 -6.949 -0.654) 8.885 2.345 ( 1.676 4.970 1.486) 5.451 2.493 ( -0.575 -7.940 0.615) 7.984 2.815 ( -2.478 6.253 -1.395) 6.869 2.943 ( -1.808 -5.610 0.447) 5.911 3.266 ( 3.342 7.738 -7.768) 11.463 3.347 ( -2.219 2.758 -5.274) 6.352 3.432 ( -4.616 -2.475 -3.457) 6.276 3.436 ( -0.539 -6.420 -7.102) 9.589 3.580 ( 0.030 9.837 0.307) 9.842 3.706 ( -3.256 -0.316 3.698) 4.937 3.742 ( -4.320 0.641 1.910) 4.767 3.884 ( 0.406 -9.353 2.475) 9.684 4.195 ( -1.573 -0.191 0.251) 1.604 4.219 ( -2.039 -2.284 1.459) 3.392 4.415 ( 3.725 0.586 3.449) 5.111 4.439 ( 4.048 -1.603 2.182) 4.871 4.872 ( 0.289 3.561 -1.656) 3.938 4.957 ( -0.229 -4.709 -2.462) 5.319 6.892 ( 0.542 8.402 1.864) 8.623 7.074 ( 0.150 -9.853 1.219) 9.929 7.854 ( -1.929 8.316 -4.723) 9.756 7.998 ( -1.424 -5.570 -4.958) 7.592 8.468 ( 2.832 3.329 -2.102) 4.850 8.545 ( 3.010 -3.409 -2.333) 5.111 8.715 ( 2.321 4.689 2.375) 5.746 8.783 ( 0.008 0.067 5.928) 5.929 8.902 ( -1.534 3.063 4.532) 5.681 9.007 ( -1.687 -4.753 7.342) 8.907 9.204 ( 0.799 0.894 -2.784) 3.031 9.233 ( -0.570 -1.990 -2.109) 2.955 9.649 ( 0.472 6.282 4.697) 7.858 9.769 ( 1.409 -5.677 2.770) 6.472 10.393 ( -0.575 5.535 -3.103) 6.372 10.501 ( 0.380 -5.441 -3.768) 6.630 10.874 ( -0.354 1.457 1.502) 2.122 10.913 ( 0.119 -2.160 2.244) 3.117 12.924 ( -0.251 4.804 -0.306) 4.821 13.024 ( -0.436 -5.275 -0.120) 5.294 14.140 ( 0.855 3.260 0.834) 3.472 14.183 ( 0.409 -1.289 -0.145) 1.360 14.530 ( 2.290 6.666 -3.484) 7.863 14.701 ( 3.399 -10.184 -0.658) 10.756 15.351 ( -4.141 3.788 4.893) 7.445 15.427 ( -5.647 -3.699 4.659) 8.202 16.944 ( -1.295 2.705 0.052) 2.999 16.993 ( -1.503 -2.074 -0.452) 2.601 17.723 ( 2.341 17.229 -1.804) 17.480 18.053 ( 3.002 -15.568 -3.869) 16.320 19.413 ( -0.586 0.232 -0.906) 1.104 19.433 ( -0.147 -1.578 -0.304) 1.614 ======================= Grid point 113 (61/144) ======================= q-point: (-0.40 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( -0.947 7.802 -8.023) 11.231 1.715 ( -2.745 0.925 -0.048) 2.897 1.871 ( 1.965 0.164 -9.445) 9.649 1.939 ( -0.968 -5.013 -1.889) 5.444 2.364 ( -1.421 -0.104 1.557) 2.111 2.447 ( -3.099 -6.909 1.444) 7.709 2.744 ( -2.513 6.706 -2.504) 7.586 2.898 ( -2.548 -7.164 -1.534) 7.757 3.221 ( -3.308 5.650 -5.924) 8.830 3.315 ( -2.785 3.626 -5.812) 7.395 3.341 ( -4.408 -6.133 -4.873) 8.988 3.354 ( -5.480 0.854 -3.750) 6.695 3.579 ( -2.427 3.730 1.480) 4.690 3.628 ( -3.811 8.277 1.387) 9.217 3.667 ( -1.015 -1.197 0.145) 1.576 3.897 ( -0.866 -12.380 -0.940) 12.446 4.117 ( -5.128 -0.002 1.646) 5.386 4.141 ( -5.400 -2.424 2.493) 6.423 4.488 ( 2.648 2.201 1.453) 3.737 4.538 ( 4.517 -2.761 1.856) 5.610 4.835 ( -3.210 2.811 -0.696) 4.323 4.902 ( -4.278 -3.853 -1.977) 6.087 6.960 ( 5.504 7.756 2.290) 9.783 7.130 ( 4.915 -9.287 1.433) 10.605 7.801 ( -2.396 7.661 -4.948) 9.430 7.941 ( -3.193 -6.013 -5.456) 8.725 8.504 ( 0.468 3.573 -1.429) 3.877 8.579 ( 0.414 -3.284 -1.657) 3.702 8.742 ( 0.250 4.614 -0.698) 4.673 8.785 ( -0.277 4.602 9.400) 10.470 8.871 ( -2.198 0.053 1.575) 2.705 8.987 ( -1.492 -6.956 8.639) 11.191 9.184 ( -2.556 0.754 -3.158) 4.132 9.205 ( -1.429 -1.245 -1.597) 2.478 9.675 ( 1.050 6.704 4.780) 8.300 9.801 ( 0.921 -5.798 3.473) 6.821 10.402 ( 2.029 6.367 -3.004) 7.327 10.532 ( 3.056 -6.606 -4.039) 8.324 10.885 ( 1.306 2.128 1.615) 2.974 10.932 ( 1.477 -2.290 2.013) 3.388 12.940 ( 1.815 4.745 -0.511) 5.106 13.036 ( 1.599 -4.943 -0.381) 5.209 14.114 ( -3.353 2.323 1.581) 4.375 14.138 ( -4.400 -0.263 0.829) 4.485 14.573 ( 2.028 6.324 -4.021) 7.764 14.729 ( -1.506 -8.858 -1.927) 9.189 15.292 ( -1.069 2.554 4.062) 4.916 15.358 ( -1.958 -3.876 3.459) 5.552 16.911 ( -1.931 2.899 -0.923) 3.603 16.965 ( -1.134 -2.382 -1.557) 3.064 17.823 ( 7.346 17.634 -0.020) 19.103 18.155 ( 7.419 -15.464 -1.539) 17.220 19.407 ( 0.121 0.737 -0.953) 1.211 19.437 ( 0.626 -2.178 -0.475) 2.315 ======================= Grid point 114 (62/144) ======================= q-point: (-0.30 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( -7.323 10.626 0.683) 12.923 1.651 ( -4.297 2.250 -1.305) 5.023 1.814 ( -5.657 -0.419 -4.209) 7.064 1.960 ( -0.960 -4.195 -7.318) 8.490 2.299 ( -2.753 3.683 4.877) 6.703 2.422 ( 0.652 -5.902 2.935) 6.624 2.710 ( -1.827 4.440 0.393) 4.817 2.810 ( -6.388 -2.570 -1.436) 7.034 3.137 ( -7.772 4.557 -3.271) 9.585 3.163 ( -4.316 -1.749 -2.423) 5.250 3.228 ( -3.810 4.322 -5.821) 8.190 3.345 ( 1.445 -2.512 -7.034) 7.607 3.450 ( -6.666 2.548 1.874) 7.378 3.630 ( -2.427 8.335 -2.476) 9.028 3.641 ( 0.762 -10.095 0.470) 10.135 3.782 ( -8.199 -7.263 -4.576) 11.871 4.019 ( -4.389 1.126 3.715) 5.860 4.079 ( -0.886 -4.068 5.737) 7.088 4.492 ( -3.070 4.281 -3.425) 6.283 4.586 ( -1.264 -4.987 -2.473) 5.708 4.788 ( -0.101 1.382 2.152) 2.560 4.820 ( -1.952 -1.846 1.986) 3.341 7.108 ( 8.142 7.157 2.566) 11.140 7.266 ( 7.720 -8.672 1.802) 11.750 7.746 ( -2.133 6.058 -4.867) 8.059 7.858 ( -3.850 -4.992 -5.197) 8.170 8.469 ( -3.723 3.660 -0.203) 5.225 8.547 ( -3.342 -4.086 -0.981) 5.369 8.743 ( 0.193 5.821 -3.936) 7.030 8.793 ( -2.605 7.016 9.110) 11.790 8.822 ( -0.563 -2.565 -1.826) 3.198 8.959 ( -2.889 -8.336 5.397) 10.343 9.121 ( -2.220 2.580 -1.093) 3.574 9.172 ( -1.487 -2.693 0.096) 3.078 9.692 ( -0.221 6.030 3.952) 7.213 9.807 ( -0.860 -5.225 2.852) 6.015 10.461 ( 3.772 7.108 -2.015) 8.295 10.604 ( 4.329 -7.288 -3.822) 9.298 10.933 ( 3.015 2.272 1.391) 4.024 10.980 ( 2.869 -2.213 1.502) 3.922 12.997 ( 3.830 4.804 -0.779) 6.193 13.089 ( 3.604 -4.506 -0.559) 5.797 14.020 ( -5.915 1.180 1.944) 6.337 14.029 ( -5.944 0.495 2.488) 6.462 14.580 ( -1.058 2.351 -8.057) 8.460 14.633 ( -6.110 -2.573 -5.667) 8.722 15.308 ( 0.235 0.265 2.811) 2.833 15.353 ( 1.006 -4.505 8.297) 9.494 16.860 ( -2.650 3.744 -1.727) 4.901 16.935 ( -1.571 -3.590 -2.182) 4.486 18.018 ( 11.294 18.150 1.479) 21.428 18.349 ( 11.345 -14.925 0.769) 18.763 19.416 ( 0.852 1.336 -0.570) 1.684 19.456 ( 1.256 -2.558 -0.305) 2.866 ======================= Grid point 115 (63/144) ======================= q-point: (-0.20 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( -4.794 15.158 5.036) 16.677 1.524 ( -8.052 12.739 -0.737) 15.089 1.685 ( -5.197 -10.574 4.777) 12.714 1.823 ( -9.623 -9.614 -3.071) 13.945 2.291 ( -0.966 10.418 4.919) 11.562 2.426 ( -3.185 -1.197 4.927) 5.987 2.647 ( -3.930 3.261 2.136) 5.535 2.707 ( -0.486 0.857 -2.555) 2.738 2.996 ( -4.427 3.877 -2.060) 6.235 3.089 ( -2.990 -5.363 -2.781) 6.740 3.151 ( -2.813 7.874 -4.896) 9.689 3.310 ( -8.548 6.332 0.611) 10.655 3.333 ( -1.854 -8.318 -6.844) 10.930 3.472 ( -11.550 -7.662 -2.640) 14.110 3.600 ( 0.414 5.918 -3.375) 6.826 3.805 ( 6.667 -13.111 -3.107) 15.034 3.970 ( -1.360 5.224 4.522) 7.042 4.070 ( -1.215 -4.559 4.041) 6.212 4.372 ( -6.469 5.746 -2.493) 9.004 4.489 ( -5.976 -5.809 -2.694) 8.759 4.831 ( 3.161 1.106 3.350) 4.737 4.857 ( 4.011 -1.464 5.178) 6.711 7.284 ( 8.275 6.963 2.614) 11.126 7.435 ( 8.077 -8.083 2.127) 11.623 7.702 ( -1.338 3.929 -4.589) 6.188 7.776 ( -3.126 -3.417 -4.316) 6.331 8.363 ( -6.222 3.925 0.246) 7.360 8.452 ( -5.444 -4.778 -0.482) 7.260 8.660 ( -7.304 5.526 -6.248) 11.087 8.736 ( -3.592 -1.267 -3.730) 5.331 8.844 ( 1.069 2.612 3.497) 4.494 8.908 ( -0.613 -3.481 -0.362) 3.553 9.111 ( 0.643 0.749 3.739) 3.867 9.150 ( -0.827 -3.183 2.563) 4.170 9.675 ( -1.867 5.261 2.496) 6.115 9.780 ( -1.895 -4.873 1.187) 5.362 10.538 ( 3.765 7.662 -0.908) 8.585 10.687 ( 4.088 -7.317 -2.755) 8.823 11.004 ( 3.476 2.007 0.771) 4.087 11.047 ( 3.263 -2.071 0.733) 3.933 13.093 ( 5.652 4.805 -1.271) 7.527 13.179 ( 5.172 -3.973 -0.754) 6.565 13.891 ( -6.647 1.372 2.426) 7.207 13.912 ( -5.826 -0.455 2.851) 6.502 14.464 ( -6.778 2.915 -10.950) 13.204 14.533 ( -3.979 -3.985 -9.430) 10.983 15.296 ( -1.438 3.199 6.107) 7.042 15.393 ( 0.528 -6.487 10.072) 11.992 16.809 ( -1.780 3.943 -2.267) 4.884 16.897 ( -1.652 -4.746 -2.488) 5.607 18.268 ( 12.202 18.677 2.113) 22.410 18.600 ( 12.107 -14.636 2.157) 19.117 19.439 ( 1.455 1.962 0.336) 2.466 19.485 ( 1.452 -2.470 0.281) 2.879 ======================= Grid point 116 (64/144) ======================= q-point: (-0.10 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( -1.572 17.169 10.341) 20.105 1.365 ( -5.742 16.648 1.187) 17.651 1.612 ( -4.876 -12.005 8.680) 15.596 1.666 ( -2.484 -13.626 1.125) 13.896 2.236 ( -3.888 12.534 3.679) 13.629 2.315 ( -6.672 5.762 5.135) 10.203 2.598 ( -2.467 3.493 0.194) 4.281 2.718 ( 0.196 -4.020 0.770) 4.098 2.958 ( 0.202 4.706 0.079) 4.711 3.041 ( -4.027 1.563 1.045) 4.444 3.111 ( 1.164 1.083 -2.219) 2.730 3.137 ( -5.441 3.465 -3.925) 7.551 3.278 ( -2.887 -7.763 -2.850) 8.759 3.304 ( -1.027 -9.262 -6.413) 11.312 3.647 ( 2.945 9.982 -3.431) 10.958 3.861 ( -0.332 -5.905 -0.996) 5.997 3.940 ( -3.267 1.737 -5.556) 6.675 4.036 ( -2.434 -4.976 -1.257) 5.681 4.295 ( -0.422 3.589 4.190) 5.534 4.381 ( -4.067 -4.674 2.076) 6.534 4.906 ( 3.126 2.556 4.979) 6.411 4.977 ( 5.985 -4.570 9.666) 12.253 7.435 ( 5.458 7.179 2.160) 9.273 7.577 ( 4.485 -6.335 1.221) 7.857 7.682 ( 0.187 2.228 -3.673) 4.300 7.739 ( 0.811 -3.845 -2.108) 4.459 8.232 ( -5.928 4.515 -0.031) 7.452 8.339 ( -5.090 -6.107 -0.311) 7.957 8.484 ( -7.594 7.255 -9.945) 14.464 8.621 ( -5.470 -6.005 -7.121) 10.802 8.873 ( 1.493 4.339 -0.349) 4.602 8.936 ( 2.404 -1.407 0.327) 2.804 9.136 ( -0.058 -1.630 6.452) 6.655 9.142 ( 0.163 -1.535 2.427) 2.876 9.632 ( -2.373 5.231 0.966) 5.825 9.744 ( -1.455 -5.600 -0.319) 5.795 10.603 ( 2.505 8.173 -0.183) 8.550 10.756 ( 2.787 -7.213 -1.497) 7.876 11.064 ( 2.090 1.671 0.013) 2.676 11.103 ( 1.873 -1.981 -0.000) 2.726 13.218 ( 6.396 4.202 -2.292) 7.989 13.288 ( 5.258 -3.122 -0.868) 6.176 13.761 ( -6.168 2.154 2.337) 6.939 13.803 ( -5.113 -1.909 2.413) 5.968 14.326 ( -4.405 3.936 -10.955) 12.447 14.420 ( -4.664 -5.657 -11.087) 13.292 15.289 ( -0.014 4.832 9.877) 10.996 15.403 ( -0.699 -6.490 10.326) 12.216 16.786 ( -0.180 3.164 -2.454) 4.008 16.867 ( -0.719 -4.995 -2.542) 5.650 18.490 ( 8.338 18.161 1.864) 20.070 18.808 ( 6.749 -13.962 1.585) 15.589 19.474 ( 1.607 1.902 1.718) 3.025 19.511 ( 0.877 -1.837 1.075) 2.302 ======================= Grid point 147 (65/144) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( -0.982 0.000 18.934) 18.959 0.995 ( -3.827 0.000 21.775) 22.109 1.617 ( 11.175 0.000 26.671) 28.918 1.694 ( -0.729 0.000 4.896) 4.950 1.984 ( 0.554 0.000 -5.013) 5.044 2.020 ( 1.534 0.000 -5.966) 6.160 2.496 ( 2.464 0.000 8.224) 8.586 2.631 ( 1.379 0.000 -6.881) 7.018 2.949 ( -2.180 0.000 2.441) 3.273 3.094 ( 3.008 0.000 15.817) 16.100 3.096 ( -1.868 0.000 9.451) 9.634 3.294 ( 9.196 0.000 1.137) 9.266 3.333 ( 1.685 0.000 -5.788) 6.028 3.385 ( -9.121 0.000 10.522) 13.925 3.692 ( 2.386 0.000 4.592) 5.175 3.699 ( -2.714 0.000 -3.065) 4.094 3.901 ( 2.185 0.000 0.554) 2.255 4.099 ( 4.421 0.000 -0.321) 4.432 4.177 ( -4.014 0.000 -1.823) 4.409 4.266 ( 1.584 0.000 -12.186) 12.288 4.833 ( -1.409 0.000 -2.257) 2.661 5.477 ( -1.131 0.000 -19.053) 19.086 7.307 ( -1.958 0.000 4.163) 4.601 7.685 ( 1.269 0.000 0.134) 1.276 7.743 ( -4.516 0.000 0.691) 4.569 7.797 ( 0.287 0.000 10.459) 10.463 8.053 ( 4.037 0.000 -0.374) 4.054 8.206 ( -5.406 0.000 0.249) 5.412 8.579 ( 0.031 0.000 4.295) 4.295 8.585 ( 2.736 0.000 -2.431) 3.660 8.773 ( -0.035 0.000 -14.038) 14.038 8.887 ( -3.985 0.000 -3.237) 5.135 8.958 ( 4.557 0.000 -3.830) 5.953 9.401 ( -3.991 0.000 -1.722) 4.346 9.497 ( 0.217 0.000 -2.374) 2.384 10.158 ( 4.016 0.000 -0.296) 4.027 10.265 ( 0.720 0.000 7.620) 7.654 10.962 ( -0.827 0.000 -3.332) 3.433 11.035 ( -1.492 0.000 -1.187) 1.907 11.181 ( 1.301 0.000 -0.990) 1.635 12.847 ( 0.270 0.000 0.349) 0.441 13.502 ( -2.913 0.000 4.727) 5.553 13.665 ( 2.447 0.000 2.607) 3.576 13.797 ( -0.141 0.000 -0.352) 0.380 14.106 ( 7.322 0.000 -11.622) 13.736 14.420 ( -5.400 0.000 -4.260) 6.878 15.906 ( -9.490 0.000 11.190) 14.673 16.322 ( 30.653 0.000 -3.925) 30.903 16.965 ( 5.270 0.000 6.897) 8.680 17.090 ( 0.332 0.000 2.901) 2.920 17.340 ( -0.381 0.000 -3.609) 3.629 18.743 ( -23.762 0.000 -0.114) 23.762 19.545 ( 2.704 0.000 0.067) 2.705 19.581 ( 0.586 0.000 0.090) 0.593 ======================= Grid point 148 (66/144) ======================= q-point: ( 0.10 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( 6.230 0.000 15.716) 16.906 1.070 ( 7.134 0.000 17.490) 18.889 1.692 ( -0.057 0.000 6.359) 6.359 1.913 ( 10.335 0.000 13.322) 16.861 2.044 ( 7.744 0.000 1.714) 7.932 2.089 ( 5.820 0.000 -7.499) 9.493 2.603 ( 4.615 0.000 6.381) 7.875 2.666 ( 2.824 0.000 -6.282) 6.887 2.903 ( -0.652 0.000 0.318) 0.726 3.110 ( 1.655 0.000 10.572) 10.701 3.167 ( 4.781 0.000 9.738) 10.849 3.388 ( 5.600 0.000 17.024) 17.921 3.414 ( 6.681 0.000 -5.726) 8.799 3.540 ( 10.406 0.000 -1.374) 10.496 3.638 ( -2.611 0.000 -3.021) 3.993 3.787 ( 7.391 0.000 3.468) 8.164 3.960 ( 3.314 0.000 0.249) 3.323 4.072 ( -4.325 0.000 -3.209) 5.386 4.218 ( 5.853 0.000 0.651) 5.889 4.326 ( 4.648 0.000 -12.141) 13.001 4.772 ( -3.385 0.000 -2.046) 3.955 5.242 ( -15.707 0.000 -17.712) 23.673 7.213 ( -7.321 0.000 3.966) 8.326 7.703 ( 2.272 0.000 -1.010) 2.486 7.801 ( -1.622 0.000 11.154) 11.271 7.818 ( 7.920 0.000 2.544) 8.319 8.071 ( -6.709 0.000 1.754) 6.935 8.137 ( 3.694 0.000 -3.045) 4.788 8.626 ( 3.426 0.000 2.917) 4.500 8.689 ( 6.866 0.000 -2.583) 7.336 8.741 ( -0.822 0.000 -12.931) 12.957 8.787 ( -4.189 0.000 -0.126) 4.191 9.059 ( 5.001 0.000 -6.701) 8.361 9.308 ( -4.470 0.000 2.760) 5.254 9.519 ( 2.333 0.000 -2.179) 3.192 10.161 ( -3.562 0.000 -0.767) 3.644 10.290 ( 0.482 0.000 7.299) 7.315 10.933 ( -1.419 0.000 -3.274) 3.568 10.987 ( -2.566 0.000 -1.686) 3.070 11.158 ( -3.094 0.000 -1.556) 3.463 12.841 ( -0.836 0.000 0.218) 0.864 13.427 ( -3.370 0.000 2.414) 4.146 13.763 ( 5.173 0.000 2.166) 5.608 13.803 ( 0.804 0.000 -0.269) 0.847 14.291 ( 11.292 0.000 -13.145) 17.329 14.337 ( -1.989 0.000 -0.145) 1.994 15.726 ( -8.763 0.000 9.679) 13.057 16.690 ( 4.701 0.000 -4.866) 6.766 17.088 ( -0.964 0.000 2.932) 3.086 17.279 ( 22.492 0.000 -11.002) 25.039 17.300 ( -2.868 0.000 -3.567) 4.577 18.174 ( -29.265 0.000 19.380) 35.100 19.551 ( -1.151 0.000 -1.656) 2.017 19.586 ( -0.493 0.000 0.009) 0.493 ======================= Grid point 149 (67/144) ======================= q-point: ( 0.20 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 10.166 0.000 12.114) 15.815 1.286 ( 11.283 0.000 7.801) 13.717 1.719 ( 1.770 0.000 6.728) 6.957 2.053 ( 5.549 0.000 -0.646) 5.587 2.219 ( 7.671 0.000 -7.954) 11.050 2.272 ( 9.002 0.000 10.087) 13.520 2.591 ( -5.033 0.000 1.608) 5.284 2.719 ( 2.944 0.000 -4.728) 5.570 3.017 ( 10.111 0.000 0.765) 10.140 3.181 ( 3.064 0.000 9.757) 10.226 3.352 ( 10.132 0.000 9.728) 14.046 3.535 ( 1.745 0.000 -1.352) 2.208 3.546 ( 4.322 0.000 9.371) 10.320 3.602 ( 2.587 0.000 -6.910) 7.378 3.675 ( 6.376 0.000 0.865) 6.434 3.973 ( -1.652 0.000 -2.453) 2.957 3.993 ( 10.271 0.000 -1.069) 10.327 4.072 ( 5.206 0.000 0.393) 5.221 4.336 ( -2.556 0.000 -13.834) 14.068 4.341 ( 5.954 0.000 -0.380) 5.966 4.748 ( 1.040 0.000 -3.587) 3.734 4.910 ( -10.810 0.000 -11.199) 15.565 7.041 ( -9.507 0.000 3.876) 10.267 7.765 ( -3.670 0.000 10.624) 11.240 7.766 ( 3.667 0.000 -1.211) 3.862 7.920 ( -7.443 0.000 -0.225) 7.447 8.016 ( 10.151 0.000 4.154) 10.968 8.221 ( 4.403 0.000 -1.286) 4.587 8.691 ( -1.474 0.000 -12.518) 12.604 8.708 ( 4.040 0.000 0.517) 4.073 8.734 ( -1.099 0.000 3.360) 3.535 8.844 ( 7.510 0.000 -1.885) 7.743 9.120 ( 1.609 0.000 -6.594) 6.788 9.245 ( -1.966 0.000 4.018) 4.473 9.585 ( 4.042 0.000 -0.331) 4.056 10.049 ( -6.420 0.000 1.930) 6.704 10.306 ( 0.013 0.000 6.936) 6.936 10.898 ( -1.422 0.000 -3.169) 3.473 10.922 ( -3.784 0.000 -2.345) 4.452 11.069 ( -4.654 0.000 -2.808) 5.435 12.816 ( -1.527 0.000 -0.017) 1.527 13.377 ( -1.964 0.000 0.928) 2.173 13.826 ( 1.318 0.000 -0.111) 1.323 13.876 ( 5.743 0.000 0.614) 5.775 14.323 ( 0.673 0.000 -1.088) 1.280 14.511 ( 11.579 0.000 -8.996) 14.664 15.584 ( -6.634 0.000 9.021) 11.198 16.696 ( -1.999 0.000 0.800) 2.153 17.062 ( -1.888 0.000 2.606) 3.218 17.219 ( -4.273 0.000 -3.085) 5.271 17.367 ( -18.712 0.000 2.663) 18.901 17.922 ( 7.835 0.000 2.110) 8.114 19.511 ( -2.052 0.000 -2.633) 3.338 19.566 ( -1.357 0.000 0.083) 1.360 ======================= Grid point 150 (68/144) ======================= q-point: ( 0.30 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 10.086 0.000 9.828) 14.083 1.536 ( 11.947 0.000 -3.327) 12.402 1.785 ( 3.462 0.000 7.034) 7.840 2.163 ( 5.332 0.000 -3.152) 6.193 2.346 ( -3.602 0.000 9.977) 10.608 2.366 ( 7.576 0.000 -7.373) 10.572 2.539 ( 2.020 0.000 -2.548) 3.251 2.764 ( 1.945 0.000 -2.557) 3.213 3.203 ( 5.341 0.000 -2.176) 5.767 3.218 ( -1.838 0.000 2.951) 3.477 3.391 ( -8.118 0.000 1.335) 8.227 3.506 ( -0.653 0.000 -1.110) 1.288 3.663 ( 1.064 0.000 -1.858) 2.142 3.693 ( 11.358 0.000 1.287) 11.430 3.825 ( 5.328 0.000 5.695) 7.799 4.011 ( 6.306 0.000 -2.629) 6.832 4.159 ( 4.867 0.000 -0.106) 4.868 4.191 ( 5.314 0.000 1.443) 5.506 4.252 ( -0.743 0.000 -12.228) 12.250 4.457 ( 5.438 0.000 -2.119) 5.836 4.656 ( -3.354 0.000 -6.513) 7.326 4.921 ( 6.163 0.000 -3.607) 7.141 6.858 ( -8.455 0.000 4.134) 9.412 7.672 ( -6.656 0.000 5.685) 8.754 7.794 ( -4.616 0.000 3.120) 5.571 7.847 ( 4.262 0.000 0.321) 4.275 8.215 ( 7.892 0.000 4.727) 9.199 8.305 ( 3.810 0.000 -1.133) 3.975 8.645 ( -1.104 0.000 -10.475) 10.533 8.742 ( 1.119 0.000 5.292) 5.409 8.807 ( 5.537 0.000 1.112) 5.648 8.980 ( 5.823 0.000 -2.489) 6.332 9.115 ( -0.638 0.000 -4.308) 4.355 9.230 ( -0.455 0.000 2.041) 2.091 9.661 ( 2.415 0.000 2.422) 3.420 9.937 ( -4.096 0.000 2.099) 4.602 10.311 ( -0.577 0.000 6.790) 6.815 10.822 ( -5.167 0.000 -2.050) 5.559 10.869 ( -0.823 0.000 -3.178) 3.283 10.977 ( -3.720 0.000 -3.730) 5.268 12.783 ( -1.597 0.000 -0.263) 1.619 13.342 ( -1.666 0.000 0.088) 1.668 13.853 ( 1.265 0.000 0.052) 1.266 14.000 ( 6.252 0.000 -0.981) 6.328 14.340 ( 0.787 0.000 -1.742) 1.912 14.750 ( 13.125 0.000 -4.092) 13.748 15.474 ( -5.516 0.000 8.612) 10.227 16.563 ( -15.167 0.000 6.007) 16.314 16.990 ( -11.442 0.000 8.236) 14.098 17.024 ( -1.964 0.000 1.992) 2.797 17.125 ( -4.170 0.000 -2.292) 4.758 18.121 ( 8.961 0.000 -9.791) 13.273 19.469 ( -1.598 0.000 -3.157) 3.538 19.535 ( -1.511 0.000 -0.001) 1.511 ======================= Grid point 151 (69/144) ======================= q-point: ( 0.40 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 6.378 0.000 8.849) 10.908 1.694 ( 2.150 0.000 -7.550) 7.850 1.870 ( 3.123 0.000 7.354) 7.989 2.259 ( 4.865 0.000 -3.902) 6.237 2.313 ( 2.188 0.000 2.625) 3.418 2.497 ( 6.023 0.000 -5.394) 8.085 2.595 ( 2.950 0.000 -3.247) 4.387 2.790 ( 0.818 0.000 0.229) 0.849 3.035 ( -15.539 0.000 -9.714) 18.326 3.105 ( -7.699 0.000 -7.825) 10.977 3.335 ( -0.244 0.000 -4.041) 4.048 3.521 ( 0.799 0.000 1.062) 1.329 3.675 ( 1.443 0.000 2.419) 2.816 3.842 ( 0.693 0.000 -0.664) 0.960 3.891 ( 0.232 0.000 5.616) 5.621 4.166 ( 1.458 0.000 -3.923) 4.185 4.171 ( 7.976 0.000 -0.509) 7.992 4.269 ( 2.032 0.000 0.282) 2.052 4.349 ( 7.308 0.000 0.992) 7.375 4.539 ( 2.300 0.000 -3.571) 4.248 4.663 ( 3.195 0.000 -2.530) 4.076 5.014 ( 2.965 0.000 -5.853) 6.561 6.730 ( -4.202 0.000 4.587) 6.221 7.542 ( -5.729 0.000 1.490) 5.919 7.729 ( -2.786 0.000 6.022) 6.635 7.937 ( 4.151 0.000 2.125) 4.663 8.342 ( 4.020 0.000 3.598) 5.395 8.372 ( 2.973 0.000 -2.022) 3.595 8.617 ( -0.187 0.000 -7.824) 7.826 8.774 ( 0.451 0.000 8.648) 8.660 8.936 ( 6.255 0.000 0.958) 6.328 9.066 ( 2.868 0.000 -3.233) 4.321 9.096 ( -0.439 0.000 -3.820) 3.846 9.231 ( 0.547 0.000 1.846) 1.925 9.662 ( -2.971 0.000 6.076) 6.763 9.908 ( 1.074 0.000 -0.994) 1.464 10.303 ( -1.266 0.000 6.864) 6.979 10.730 ( -3.014 0.000 -1.543) 3.386 10.857 ( 0.217 0.000 -3.259) 3.266 10.902 ( -3.055 0.000 -3.640) 4.752 12.753 ( -1.112 0.000 -0.427) 1.191 13.306 ( -1.781 0.000 -0.415) 1.829 13.875 ( 0.802 0.000 0.161) 0.818 14.113 ( 4.405 0.000 -2.550) 5.090 14.346 ( 0.420 0.000 -1.857) 1.904 15.044 ( 15.586 0.000 1.737) 15.682 15.390 ( -3.697 0.000 7.543) 8.400 16.123 ( -25.024 0.000 7.403) 26.096 16.923 ( 0.011 0.000 4.625) 4.625 16.993 ( -1.318 0.000 1.186) 1.773 17.052 ( -2.413 0.000 -1.351) 2.766 18.248 ( 5.478 0.000 -10.573) 11.907 19.435 ( -1.236 0.000 -3.069) 3.309 19.513 ( -0.333 0.000 -0.525) 0.622 ======================= Grid point 152 (70/144) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( -8.239 0.000 -1.710) 8.415 1.752 ( 1.638 0.000 8.589) 8.744 1.900 ( -2.057 0.000 7.998) 8.258 2.324 ( 1.941 0.000 -6.509) 6.792 2.381 ( -1.718 0.000 -7.823) 8.010 2.596 ( 4.276 0.000 -2.461) 4.934 2.681 ( 7.689 0.000 -7.845) 10.985 2.770 ( -4.253 0.000 -5.492) 6.946 2.773 ( -4.501 0.000 -2.211) 5.014 2.952 ( -3.064 0.000 -8.024) 8.589 3.254 ( -7.423 0.000 -4.151) 8.505 3.527 ( 0.258 0.000 -1.221) 1.248 3.731 ( 2.478 0.000 4.476) 5.116 3.760 ( -8.074 0.000 2.316) 8.400 3.847 ( -3.047 0.000 1.984) 3.636 4.211 ( 0.822 0.000 1.023) 1.313 4.274 ( 0.042 0.000 1.414) 1.414 4.305 ( 3.276 0.000 -1.276) 3.515 4.509 ( 7.709 0.000 1.475) 7.849 4.516 ( -4.087 0.000 -4.327) 5.952 4.723 ( 2.239 0.000 -2.067) 3.048 5.016 ( -1.669 0.000 -7.535) 7.718 6.713 ( 1.849 0.000 4.703) 5.053 7.466 ( -1.417 0.000 0.314) 1.451 7.694 ( -1.524 0.000 6.472) 6.649 8.009 ( 2.004 0.000 2.715) 3.375 8.399 ( 1.403 0.000 1.531) 2.076 8.423 ( 2.427 0.000 -2.635) 3.583 8.610 ( 0.405 0.000 -6.143) 6.156 8.777 ( -1.530 0.000 11.226) 11.330 9.007 ( -0.307 0.000 -0.125) 0.331 9.084 ( -0.589 0.000 -3.875) 3.920 9.100 ( 1.028 0.000 -2.729) 2.916 9.272 ( 3.531 0.000 1.539) 3.852 9.589 ( -4.168 0.000 6.554) 7.767 9.960 ( 3.721 0.000 -1.618) 4.057 10.282 ( -1.775 0.000 6.979) 7.201 10.703 ( 0.552 0.000 -1.236) 1.354 10.843 ( -2.093 0.000 -3.257) 3.871 10.868 ( 1.285 0.000 -3.236) 3.482 12.738 ( -0.259 0.000 -0.450) 0.519 13.273 ( -1.283 0.000 -0.423) 1.351 13.885 ( 0.132 0.000 0.180) 0.224 14.143 ( -1.263 0.000 -3.189) 3.430 14.375 ( 2.920 0.000 -1.695) 3.376 15.339 ( 6.139 0.000 6.963) 9.283 15.352 ( -1.026 0.000 5.162) 5.263 15.679 ( -12.584 0.000 6.023) 13.951 16.922 ( -1.501 0.000 3.450) 3.763 16.971 ( -0.860 0.000 0.498) 0.994 17.035 ( 0.990 0.000 -0.628) 1.172 18.334 ( 4.964 0.000 -10.164) 11.311 19.410 ( -0.684 0.000 -2.455) 2.549 19.521 ( 1.159 0.000 -1.414) 1.829 ======================= Grid point 153 (71/144) ======================= q-point: (-0.40 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( -12.772 0.000 4.586) 13.571 1.720 ( -7.714 0.000 10.577) 13.091 1.836 ( -3.368 0.000 7.400) 8.131 2.225 ( -6.429 0.000 -15.113) 16.423 2.328 ( -0.237 0.000 -4.397) 4.403 2.587 ( -9.699 0.000 -10.956) 14.632 2.664 ( 1.774 0.000 -1.603) 2.391 2.773 ( 5.318 0.000 2.487) 5.871 2.914 ( 4.729 0.000 -5.173) 7.009 2.983 ( 4.570 0.000 1.897) 4.948 3.018 ( -10.552 0.000 -2.905) 10.944 3.536 ( 0.720 0.000 -1.599) 1.753 3.563 ( -10.800 0.000 5.697) 12.211 3.758 ( -0.711 0.000 2.107) 2.224 3.812 ( 0.109 0.000 0.377) 0.392 4.162 ( -5.700 0.000 -0.918) 5.774 4.254 ( -1.773 0.000 -1.224) 2.154 4.320 ( -2.416 0.000 -2.066) 3.179 4.379 ( -7.277 0.000 -0.768) 7.317 4.650 ( 5.747 0.000 -0.566) 5.775 4.733 ( -1.192 0.000 -4.015) 4.188 4.941 ( -3.638 0.000 -5.804) 6.850 6.810 ( 6.491 0.000 4.173) 7.716 7.490 ( 3.594 0.000 0.570) 3.639 7.687 ( -0.142 0.000 6.353) 6.355 8.009 ( -2.580 0.000 1.386) 2.928 8.418 ( 0.572 0.000 -0.471) 0.741 8.460 ( 1.155 0.000 -0.823) 1.418 8.613 ( 1.051 0.000 -7.696) 7.768 8.751 ( -3.013 0.000 12.399) 12.760 8.969 ( -2.357 0.000 0.396) 2.390 9.032 ( -3.663 0.000 -4.313) 5.658 9.077 ( -2.807 0.000 -2.400) 3.694 9.353 ( 3.059 0.000 -1.087) 3.246 9.542 ( -0.974 0.000 6.195) 6.271 10.033 ( 2.960 0.000 -0.468) 2.996 10.256 ( -1.808 0.000 7.077) 7.304 10.747 ( 3.904 0.000 -2.079) 4.423 10.816 ( 0.213 0.000 -2.505) 2.514 10.897 ( 1.952 0.000 -3.103) 3.666 12.742 ( 0.692 0.000 -0.325) 0.765 13.259 ( 0.163 0.000 -0.004) 0.163 13.880 ( -0.578 0.000 0.106) 0.587 14.072 ( -4.641 0.000 -2.268) 5.165 14.448 ( 4.177 0.000 -2.594) 4.917 15.061 ( -20.609 0.000 1.801) 20.687 15.371 ( 0.823 0.000 4.495) 4.570 15.859 ( 15.743 0.000 14.166) 21.178 16.859 ( -4.870 0.000 1.695) 5.156 16.967 ( 0.402 0.000 0.754) 0.855 17.083 ( 3.544 0.000 -0.963) 3.673 18.440 ( 7.362 0.000 -9.672) 12.156 19.403 ( 0.296 0.000 -1.954) 1.976 19.550 ( 1.675 0.000 -1.981) 2.594 ======================= Grid point 154 (72/144) ======================= q-point: (-0.30 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( -12.863 0.000 13.173) 18.412 1.502 ( -13.818 0.000 13.784) 19.518 1.785 ( -3.130 0.000 5.440) 6.276 2.148 ( 0.209 0.000 -11.610) 11.612 2.318 ( -0.845 0.000 2.349) 2.496 2.370 ( -9.148 0.000 -11.193) 14.456 2.553 ( -24.031 0.000 8.127) 25.368 2.678 ( -0.179 0.000 -2.500) 2.506 2.916 ( 7.609 0.000 2.733) 8.085 3.052 ( -1.510 0.000 -1.490) 2.122 3.095 ( 4.849 0.000 6.086) 7.781 3.369 ( -8.502 0.000 5.101) 9.915 3.533 ( -1.567 0.000 0.206) 1.580 3.718 ( -2.253 0.000 -3.261) 3.964 3.866 ( 4.309 0.000 -0.988) 4.421 3.993 ( -9.321 0.000 -5.402) 10.773 4.150 ( -6.993 0.000 -6.406) 9.484 4.203 ( -6.802 0.000 0.312) 6.809 4.310 ( -1.134 0.000 2.655) 2.887 4.640 ( -6.342 0.000 -10.884) 12.597 4.740 ( 3.225 0.000 -1.853) 3.720 4.901 ( 1.068 0.000 -0.133) 1.076 6.973 ( 8.344 0.000 3.578) 9.079 7.602 ( 6.540 0.000 2.590) 7.034 7.709 ( 1.450 0.000 5.172) 5.371 7.915 ( -6.031 0.000 -0.304) 6.039 8.409 ( -2.417 0.000 -2.309) 3.343 8.454 ( -1.845 0.000 1.688) 2.500 8.633 ( 2.101 0.000 -10.197) 10.411 8.693 ( -3.272 0.000 8.600) 9.201 8.915 ( -4.330 0.000 2.278) 4.893 8.930 ( -5.247 0.000 -5.028) 7.267 9.018 ( -1.137 0.000 -1.184) 1.641 9.382 ( 0.723 0.000 -2.078) 2.201 9.553 ( 0.367 0.000 3.753) 3.771 10.063 ( -0.095 0.000 0.752) 0.758 10.234 ( -1.293 0.000 7.236) 7.351 10.843 ( 4.643 0.000 -3.246) 5.665 10.858 ( 5.123 0.000 -1.301) 5.286 10.934 ( 1.966 0.000 -3.017) 3.602 12.764 ( 1.440 0.000 -0.097) 1.443 13.283 ( 2.067 0.000 0.547) 2.138 13.862 ( -1.155 0.000 -0.037) 1.155 13.965 ( -5.256 0.000 -1.037) 5.358 14.507 ( -0.971 0.000 -3.931) 4.049 14.683 ( -13.119 0.000 -2.257) 13.312 15.392 ( 0.288 0.000 6.622) 6.629 16.163 ( 9.385 0.000 19.603) 21.734 16.762 ( -3.150 0.000 -0.319) 3.166 16.989 ( 1.516 0.000 1.328) 2.015 17.168 ( 4.724 0.000 -1.696) 5.020 18.616 ( 11.279 0.000 -9.213) 14.563 19.414 ( 0.935 0.000 -1.500) 1.767 19.576 ( 1.051 0.000 -2.155) 2.397 ======================= Grid point 155 (73/144) ======================= q-point: (-0.20 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( -3.002 0.000 25.121) 25.299 1.238 ( -13.566 0.000 16.815) 21.606 1.730 ( -2.535 0.000 3.230) 4.106 1.985 ( -26.329 0.000 15.813) 30.712 2.136 ( -2.473 0.000 -10.781) 11.061 2.186 ( -7.264 0.000 -7.708) 10.591 2.390 ( 2.381 0.000 11.833) 12.071 2.657 ( -1.063 0.000 -4.288) 4.417 2.959 ( -4.743 0.000 5.146) 6.998 3.066 ( 5.404 0.000 4.335) 6.928 3.167 ( 0.499 0.000 7.676) 7.692 3.214 ( -7.176 0.000 4.318) 8.375 3.460 ( -5.064 0.000 -0.160) 5.066 3.694 ( 0.975 0.000 -5.996) 6.075 3.781 ( -9.028 0.000 0.141) 9.029 3.905 ( -3.498 0.000 -8.657) 9.337 4.033 ( -4.367 0.000 -2.363) 4.966 4.051 ( -6.182 0.000 -0.916) 6.249 4.294 ( -1.257 0.000 0.864) 1.525 4.476 ( -7.248 0.000 -12.995) 14.880 4.792 ( 2.532 0.000 -2.798) 3.774 5.017 ( 11.128 0.000 -0.605) 11.145 7.146 ( 7.595 0.000 3.502) 8.364 7.716 ( 2.430 0.000 9.379) 9.689 7.787 ( -5.821 0.000 -0.717) 5.865 7.793 ( 7.105 0.000 -0.602) 7.131 8.260 ( -11.446 0.000 -4.483) 12.293 8.395 ( -3.976 0.000 1.429) 4.225 8.645 ( -0.350 0.000 -7.425) 7.433 8.683 ( 0.000 0.000 4.576) 4.576 8.806 ( -4.297 0.000 1.240) 4.473 8.826 ( -3.084 0.000 -8.610) 9.146 9.024 ( 0.470 0.000 -0.796) 0.925 9.405 ( 2.081 0.000 -1.530) 2.583 9.546 ( -1.411 0.000 0.842) 1.643 10.044 ( -1.257 0.000 2.265) 2.590 10.228 ( -0.396 0.000 7.481) 7.491 10.940 ( 5.272 0.000 -0.561) 5.302 10.963 ( 1.292 0.000 -3.083) 3.343 10.984 ( 6.528 0.000 -2.953) 7.165 12.798 ( 1.696 0.000 0.150) 1.703 13.345 ( 3.907 0.000 1.250) 4.102 13.835 ( -1.371 0.000 -0.200) 1.385 13.859 ( -5.146 0.000 0.620) 5.183 14.280 ( -13.408 0.000 -2.902) 13.718 14.620 ( 0.286 0.000 -11.506) 11.510 15.437 ( 4.450 0.000 13.544) 14.257 16.242 ( -4.024 0.000 16.977) 17.447 16.784 ( 4.496 0.000 3.308) 5.582 17.028 ( 1.893 0.000 1.966) 2.729 17.260 ( 4.264 0.000 -2.511) 4.949 18.861 ( 13.144 0.000 -9.783) 16.385 19.430 ( 0.631 0.000 -0.514) 0.814 19.582 ( -0.149 0.000 -1.560) 1.567 ======================= Grid point 156 (74/144) ======================= q-point: (-0.10 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( -8.838 0.000 19.180) 21.118 1.040 ( 0.871 0.000 25.567) 25.582 1.558 ( -13.757 0.000 25.681) 29.133 1.702 ( -0.781 0.000 2.713) 2.824 2.035 ( -4.555 0.000 -7.538) 8.808 2.056 ( -4.106 0.000 -4.986) 6.459 2.460 ( 1.324 0.000 11.557) 11.632 2.632 ( -0.353 0.000 -6.060) 6.071 2.937 ( 1.647 0.000 6.230) 6.444 3.054 ( -3.859 0.000 13.068) 13.626 3.142 ( -3.248 0.000 7.724) 8.379 3.199 ( 2.560 0.000 1.747) 3.100 3.362 ( -3.446 0.000 -3.173) 4.684 3.632 ( -8.062 0.000 -3.639) 8.846 3.712 ( -9.572 0.000 2.799) 9.973 3.724 ( 1.571 0.000 -4.553) 4.817 3.910 ( -4.224 0.000 1.065) 4.356 4.031 ( 1.874 0.000 -1.734) 2.553 4.252 ( -2.853 0.000 -0.695) 2.937 4.323 ( -4.938 0.000 -12.756) 13.678 4.832 ( 1.547 0.000 -2.711) 3.121 5.318 ( 15.889 0.000 -9.046) 18.283 7.276 ( 4.077 0.000 3.904) 5.645 7.695 ( -2.727 0.000 -0.257) 2.740 7.764 ( 1.243 0.000 9.704) 9.783 7.944 ( 6.756 0.000 -0.162) 6.758 7.970 ( -14.690 0.000 -3.885) 15.195 8.306 ( -4.655 0.000 0.734) 4.713 8.595 ( -2.534 0.000 -3.050) 3.966 8.621 ( -4.511 0.000 4.507) 6.377 8.788 ( 0.387 0.000 -13.345) 13.351 8.833 ( 4.892 0.000 -2.094) 5.321 8.998 ( -2.965 0.000 -2.730) 4.031 9.443 ( 0.742 0.000 -3.067) 3.155 9.513 ( -1.351 0.000 -1.232) 1.828 10.059 ( 3.141 0.000 3.894) 5.003 10.241 ( 0.427 0.000 7.673) 7.685 10.974 ( 0.204 0.000 -3.240) 3.247 11.028 ( 2.651 0.000 -1.048) 2.851 11.107 ( 5.576 0.000 -1.401) 5.749 12.830 ( 1.273 0.000 0.321) 1.313 13.445 ( 5.275 0.000 2.904) 6.021 13.740 ( -7.020 0.000 3.095) 7.672 13.810 ( -1.016 0.000 -0.324) 1.066 14.078 ( -4.036 0.000 -7.369) 8.402 14.549 ( -5.095 0.000 -11.027) 12.147 15.701 ( 20.216 0.000 14.462) 24.856 16.121 ( -8.497 0.000 11.933) 14.649 16.885 ( 3.567 0.000 6.804) 7.683 17.067 ( 1.431 0.000 2.540) 2.915 17.325 ( 2.325 0.000 -3.214) 3.967 19.019 ( -0.281 0.000 -12.528) 12.531 19.457 ( 3.287 0.000 2.493) 4.126 19.575 ( -0.060 0.000 -0.223) 0.230 ======================= Grid point 157 (75/144) ======================= q-point: ( 0.00 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( 1.574 5.720 17.711) 18.678 1.149 ( -0.290 9.079 20.504) 22.425 1.714 ( 3.267 4.833 4.459) 7.343 1.737 ( 0.658 7.559 12.313) 14.463 1.978 ( -1.646 1.766 1.925) 3.087 2.144 ( 2.774 9.928 -6.222) 12.040 2.445 ( 2.665 -3.315 10.020) 10.885 2.696 ( 0.985 5.151 -6.188) 8.112 2.926 ( -3.070 -4.481 8.969) 10.485 2.979 ( 0.798 -1.133 4.954) 5.144 3.151 ( 1.971 -2.700 11.102) 11.595 3.283 ( 8.767 -0.948 0.640) 8.841 3.284 ( -2.382 -4.007 -1.429) 4.875 3.431 ( -3.866 4.784 0.541) 6.174 3.606 ( 3.686 -4.835 1.842) 6.353 3.714 ( -0.616 -0.924 -0.680) 1.302 3.936 ( 1.162 1.650 2.839) 3.483 4.070 ( 0.984 -3.992 -5.678) 7.010 4.184 ( -1.623 3.656 -1.816) 4.393 4.345 ( 0.772 5.573 -3.699) 6.733 4.857 ( -1.213 2.448 -1.166) 2.970 5.468 ( -1.533 -1.455 -14.129) 14.286 7.331 ( -1.771 2.463 3.447) 4.591 7.661 ( -1.230 -2.829 0.824) 3.193 7.691 ( 2.476 -1.416 2.351) 3.696 7.873 ( -3.003 4.432 3.817) 6.575 8.050 ( 4.942 -1.177 -1.402) 5.270 8.150 ( -6.195 -3.975 2.014) 7.631 8.538 ( 2.657 -3.849 -1.385) 4.877 8.628 ( -0.326 0.730 -0.050) 0.801 8.687 ( 0.150 -3.542 -9.406) 10.052 8.954 ( -4.419 3.545 -2.055) 6.026 8.980 ( 4.692 2.864 -5.917) 8.076 9.351 ( -3.154 -4.146 1.573) 5.442 9.505 ( 0.256 0.952 -3.052) 3.208 10.066 ( 2.662 -8.247 0.877) 8.710 10.349 ( 0.374 7.206 5.718) 9.207 10.935 ( -1.161 -2.563 -3.261) 4.308 11.047 ( -0.414 0.855 -0.835) 1.265 11.164 ( 0.898 -1.427 -0.973) 1.946 12.918 ( 0.257 6.536 -1.922) 6.817 13.491 ( -1.675 -1.256 4.277) 4.762 13.667 ( 1.506 0.371 2.537) 2.973 13.796 ( -0.719 -0.147 -0.294) 0.791 14.097 ( 6.614 -0.766 -10.627) 12.540 14.372 ( -4.437 -4.518 -3.811) 7.391 15.827 ( -8.929 -9.131 10.441) 16.495 16.030 ( 22.890 -18.722 7.801) 30.583 16.731 ( -1.293 -4.732 -0.508) 4.932 17.112 ( 2.275 -8.428 -1.618) 8.878 17.766 ( 5.096 29.477 0.977) 29.930 18.829 ( -18.275 6.200 -2.402) 19.447 19.550 ( 2.197 0.378 0.465) 2.277 19.577 ( 0.446 -0.413 0.372) 0.713 ======================= Grid point 158 (76/144) ======================= q-point: ( 0.10 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 10.343 8.035 13.718) 18.966 1.204 ( 2.886 10.192 17.114) 20.127 1.707 ( -2.220 0.702 4.100) 4.715 1.859 ( 6.573 -1.803 0.119) 6.817 2.054 ( 7.441 3.247 6.563) 10.439 2.220 ( 5.544 8.651 -2.694) 10.623 2.555 ( 4.841 -3.401 8.442) 10.309 2.715 ( 1.612 4.033 -4.949) 6.585 2.903 ( 0.822 -0.644 4.318) 4.442 3.029 ( 4.611 -1.286 4.529) 6.590 3.247 ( 0.472 -1.786 5.140) 5.462 3.282 ( 8.537 -3.533 10.826) 14.233 3.445 ( 5.877 -0.910 1.012) 6.033 3.521 ( 8.162 0.135 -4.191) 9.176 3.646 ( 0.417 -0.076 -3.636) 3.660 3.759 ( 5.767 -2.103 3.158) 6.903 4.001 ( 4.748 1.885 2.728) 5.791 4.058 ( -1.836 -2.003 -1.865) 3.295 4.204 ( 4.248 1.879 -3.924) 6.081 4.381 ( 2.388 3.759 -4.993) 6.691 4.797 ( -3.706 2.393 -0.776) 4.479 5.236 ( -16.138 -0.984 -14.089) 21.446 7.239 ( -7.268 2.590 3.455) 8.454 7.674 ( 1.895 -1.729 -1.337) 2.893 7.794 ( 5.220 -0.926 4.442) 6.916 7.862 ( 1.338 3.258 6.097) 7.041 8.023 ( -5.711 -4.451 0.271) 7.246 8.140 ( 4.289 0.656 -1.599) 4.624 8.616 ( 2.852 -6.086 -5.577) 8.733 8.668 ( 4.010 -4.563 -5.259) 8.035 8.684 ( 2.368 3.735 -0.004) 4.422 8.854 ( -3.960 5.062 -1.192) 6.537 9.074 ( 4.463 0.862 -6.565) 7.985 9.285 ( -3.124 -1.868 3.985) 5.396 9.527 ( 2.283 0.750 -2.341) 3.355 10.070 ( -2.430 -8.320 0.274) 8.672 10.357 ( -0.445 6.061 5.961) 8.512 10.885 ( -2.977 -3.265 -3.085) 5.389 11.025 ( -1.317 2.104 -1.364) 2.833 11.141 ( -2.879 -1.563 -1.517) 3.610 12.900 ( -1.574 5.500 -1.158) 5.837 13.423 ( -3.657 -0.580 2.133) 4.273 13.761 ( 5.275 -0.208 2.233) 5.732 13.797 ( 0.902 -0.577 0.015) 1.071 14.270 ( 10.858 -2.094 -11.596) 16.024 14.308 ( -1.306 -2.643 -1.202) 3.184 15.675 ( -7.009 -4.614 9.014) 12.316 16.458 ( 14.062 -30.429 4.099) 33.771 16.701 ( -0.063 -0.499 -2.261) 2.316 17.145 ( 1.208 -9.491 -3.053) 10.043 17.872 ( 5.566 26.657 -5.155) 27.715 18.350 ( -26.798 13.990 10.718) 32.074 19.549 ( -1.412 -0.218 -1.071) 1.785 19.578 ( -0.649 -0.712 0.322) 1.015 ======================= Grid point 159 (77/144) ======================= q-point: ( 0.20 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 3.830 3.303 11.957) 12.983 1.418 ( 13.785 10.966 7.543) 19.162 1.685 ( -0.072 -3.560 2.755) 4.502 1.988 ( 6.465 -2.041 -2.400) 7.192 2.197 ( 4.384 -1.564 2.691) 5.377 2.369 ( 8.330 6.034 2.873) 10.680 2.567 ( -3.823 -1.246 0.555) 4.059 2.773 ( 4.079 4.834 -3.666) 7.311 3.009 ( 8.069 -0.991 4.679) 9.380 3.153 ( 4.944 -0.322 4.121) 6.445 3.338 ( 6.860 -4.545 5.569) 9.936 3.475 ( 3.972 -3.555 5.184) 7.436 3.532 ( 6.140 0.288 -0.607) 6.177 3.650 ( 3.042 2.065 -3.294) 4.937 3.680 ( 5.987 -0.626 -1.433) 6.187 3.902 ( 7.177 -5.609 0.144) 9.110 4.014 ( -1.384 3.567 1.411) 4.078 4.146 ( 7.904 4.179 0.434) 8.951 4.303 ( 5.048 -1.799 -5.069) 7.377 4.368 ( -3.136 2.012 -7.838) 8.678 4.761 ( -0.206 0.904 -2.256) 2.439 4.893 ( -11.378 -1.574 -8.719) 14.421 7.068 ( -9.420 2.665 3.531) 10.407 7.690 ( -1.215 -3.504 0.340) 3.724 7.824 ( -2.181 -1.699 6.458) 7.025 7.882 ( -1.995 0.866 0.512) 2.234 8.050 ( 9.169 2.229 3.133) 9.943 8.230 ( 4.591 0.649 -1.798) 4.973 8.607 ( -0.665 -6.617 -10.172) 12.153 8.745 ( 4.008 3.097 0.292) 5.074 8.776 ( 1.570 1.333 1.279) 2.424 8.827 ( 3.900 0.840 -0.986) 4.110 9.124 ( 1.259 -0.058 -5.036) 5.191 9.252 ( -0.639 0.589 3.213) 3.329 9.591 ( 3.976 0.573 -0.359) 4.033 9.989 ( -4.844 -5.610 2.236) 7.742 10.352 ( -0.918 4.244 5.728) 7.188 10.811 ( -3.700 -4.789 -3.362) 6.923 10.989 ( -2.098 2.881 -1.454) 3.850 11.057 ( -4.362 -1.062 -2.501) 5.139 12.859 ( -2.156 4.072 -0.610) 4.648 13.360 ( -2.746 -1.754 0.750) 3.344 13.827 ( 2.140 0.246 0.227) 2.166 13.878 ( 5.769 0.224 0.994) 5.858 14.308 ( 1.115 -1.414 -1.418) 2.292 14.479 ( 11.080 -3.134 -8.897) 14.552 15.566 ( -5.162 -1.351 8.286) 9.856 16.526 ( -4.842 -21.556 6.117) 22.925 16.782 ( 5.345 -4.533 -1.481) 7.163 17.144 ( -0.983 -6.191 -2.825) 6.876 17.786 ( -22.105 23.090 2.916) 32.098 18.028 ( 3.753 9.104 0.301) 9.852 19.506 ( -2.238 -0.512 -1.933) 3.002 19.557 ( -1.413 -0.861 0.169) 1.663 ======================= Grid point 160 (78/144) ======================= q-point: ( 0.30 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 4.974 -4.334 4.240) 7.843 1.673 ( 6.241 2.832 1.278) 6.971 1.741 ( 8.128 1.013 2.566) 8.583 2.121 ( 6.891 -1.723 -1.147) 7.195 2.236 ( -0.887 -4.974 5.815) 7.704 2.490 ( -1.486 1.031 -7.555) 7.768 2.533 ( 6.743 4.678 2.781) 8.665 2.830 ( 1.789 5.422 -3.495) 6.694 3.144 ( -1.983 -4.807 2.000) 5.571 3.199 ( 3.417 -0.149 -0.914) 3.541 3.443 ( 0.913 0.990 1.408) 1.949 3.535 ( -0.677 -2.055 -0.317) 2.187 3.554 ( -0.689 0.613 -2.671) 2.825 3.750 ( 8.103 0.038 -0.769) 8.140 3.830 ( 5.830 -0.732 2.924) 6.563 4.025 ( 2.662 1.896 0.990) 3.415 4.061 ( 8.205 -5.442 1.058) 9.902 4.234 ( -3.056 2.324 -6.968) 7.955 4.299 ( 4.094 2.951 -4.929) 7.054 4.419 ( 5.293 -3.359 -0.940) 6.339 4.652 ( -2.607 -0.209 -4.810) 5.475 4.908 ( 5.765 -1.341 -2.392) 6.384 6.886 ( -8.378 2.804 3.795) 9.616 7.608 ( -6.193 -5.804 1.263) 8.581 7.761 ( -3.074 -1.925 4.312) 5.635 7.904 ( 2.696 4.132 1.277) 5.096 8.243 ( 7.746 2.247 4.131) 9.062 8.317 ( 4.207 0.898 -2.443) 4.947 8.584 ( 0.084 -4.619 -7.702) 8.981 8.795 ( 1.099 4.852 4.519) 6.721 8.836 ( 5.008 2.719 0.609) 5.731 8.928 ( 4.412 -4.255 -1.356) 6.278 9.129 ( 0.312 0.827 -3.518) 3.627 9.253 ( 0.105 1.663 1.156) 2.028 9.668 ( 2.587 0.634 2.412) 3.593 9.905 ( -3.179 -3.109 2.661) 5.182 10.338 ( -1.365 2.433 5.279) 5.971 10.725 ( -3.970 -5.967 -3.644) 8.041 10.932 ( -3.093 2.368 -1.184) 4.071 10.979 ( -2.627 0.547 -2.912) 3.960 12.814 ( -1.999 3.063 -0.491) 3.690 13.309 ( -2.366 -3.171 0.076) 3.957 13.876 ( 2.421 2.224 0.455) 3.319 14.003 ( 6.178 0.263 -0.570) 6.210 14.331 ( 1.007 -0.847 -2.240) 2.598 14.705 ( 12.292 -4.457 -4.058) 13.690 15.479 ( -4.674 0.758 7.837) 9.157 16.356 ( -13.050 -16.217 6.821) 21.905 16.860 ( 2.808 -2.148 1.401) 3.803 17.104 ( -2.228 -1.205 -1.280) 2.838 17.376 ( -16.476 18.884 5.027) 25.561 18.131 ( 5.440 0.753 -8.534) 10.149 19.461 ( -1.733 -0.683 -2.527) 3.139 19.525 ( -1.576 -0.950 0.016) 1.840 ======================= Grid point 161 (79/144) ======================= q-point: ( 0.40 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 2.164 -10.515 -1.046) 10.786 1.738 ( 2.001 -5.075 1.121) 5.569 1.901 ( 3.693 4.515 1.640) 6.059 2.235 ( 1.813 -5.378 3.277) 6.553 2.275 ( 8.270 0.344 -0.096) 8.277 2.498 ( 2.858 0.716 -9.378) 9.829 2.632 ( 2.061 2.514 -0.214) 3.258 2.839 ( -0.026 4.785 -2.317) 5.317 2.977 ( -10.368 -2.501 -7.619) 13.108 3.203 ( -6.629 6.360 -6.537) 11.275 3.335 ( -3.499 0.408 -3.593) 5.032 3.530 ( 0.831 -0.800 -2.005) 2.313 3.611 ( 2.293 -3.840 2.090) 4.937 3.833 ( -0.558 -2.071 3.034) 3.716 3.906 ( -0.107 0.565 2.743) 2.803 4.099 ( 3.816 -3.734 -2.954) 6.102 4.206 ( 4.631 -2.343 0.732) 5.241 4.223 ( 4.622 1.247 -0.792) 4.852 4.384 ( 4.651 1.650 1.317) 5.108 4.503 ( 2.464 -3.353 -2.972) 5.113 4.681 ( 3.854 1.749 -1.778) 4.590 4.997 ( 2.787 -1.750 -4.926) 5.924 6.758 ( -4.255 2.787 4.169) 6.577 7.484 ( -5.276 -5.684 0.159) 7.757 7.714 ( -2.372 -0.719 5.390) 5.932 7.970 ( 3.165 2.476 1.331) 4.233 8.350 ( 2.726 -0.085 -0.714) 2.820 8.401 ( 4.005 2.796 -0.515) 4.911 8.590 ( 1.205 -1.441 -4.138) 4.545 8.822 ( 0.105 4.611 8.719) 9.863 8.953 ( 5.445 1.222 0.028) 5.580 8.999 ( 3.265 -4.452 -1.046) 5.619 9.125 ( -0.312 1.786 -3.480) 3.924 9.262 ( 0.769 1.908 0.557) 2.131 9.675 ( -2.493 1.276 6.194) 6.798 9.888 ( 1.304 -1.872 -0.160) 2.287 10.311 ( -1.977 0.736 4.878) 5.314 10.655 ( -1.857 -5.796 -3.231) 6.891 10.873 ( -2.319 0.877 -1.711) 3.013 10.936 ( -1.233 2.514 -2.046) 3.468 12.779 ( -1.306 2.487 -0.496) 2.853 13.263 ( -2.070 -3.999 -0.291) 4.512 13.922 ( 1.789 4.326 0.567) 4.716 14.114 ( 4.334 0.173 -2.226) 4.875 14.339 ( 0.493 -0.595 -2.349) 2.473 14.975 ( 13.955 -6.807 1.632) 15.612 15.405 ( -3.361 1.693 6.825) 7.794 16.019 ( -19.813 -8.565 6.477) 22.536 16.908 ( 1.312 -0.602 2.351) 2.759 17.061 ( -2.103 0.514 -0.797) 2.307 17.149 ( -5.984 13.043 2.096) 14.503 18.216 ( 4.453 -3.295 -9.698) 11.169 19.426 ( -1.280 -0.776 -2.654) 3.047 19.501 ( -0.550 -1.175 -0.362) 1.347 ======================= Grid point 162 (80/144) ======================= q-point: (-0.50 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( -3.397 -10.357 -1.550) 11.009 1.764 ( 0.446 -3.171 2.853) 4.289 1.900 ( -3.795 0.833 5.197) 6.489 2.284 ( 0.082 -5.886 -3.125) 6.665 2.413 ( 1.308 2.876 -5.876) 6.671 2.522 ( 1.860 -3.892 -5.573) 7.048 2.630 ( 0.377 -3.312 -6.053) 6.910 2.813 ( -0.852 3.621 -7.688) 8.540 2.850 ( 0.835 6.222 -1.678) 6.499 3.051 ( -4.276 8.946 -7.243) 12.279 3.254 ( -5.621 -0.582 -2.056) 6.014 3.517 ( -1.550 -1.792 -4.007) 4.655 3.639 ( -1.396 -4.773 4.149) 6.477 3.796 ( -1.972 -2.958 3.837) 5.230 3.839 ( -5.127 2.339 2.903) 6.339 4.160 ( 1.491 -4.429 -1.432) 4.888 4.252 ( -0.535 -1.841 0.854) 2.099 4.317 ( 3.299 0.738 2.531) 4.223 4.488 ( -3.128 -2.422 -4.575) 6.049 4.511 ( 6.621 0.002 1.512) 6.792 4.745 ( 1.997 1.995 -1.266) 3.094 4.999 ( -1.598 -1.663 -6.645) 7.034 6.738 ( 1.695 2.486 4.234) 5.194 7.415 ( -1.016 -5.069 -0.347) 5.181 7.681 ( -1.623 -0.656 5.756) 6.017 8.020 ( 1.054 0.378 0.722) 1.332 8.387 ( 1.614 -0.985 -2.681) 3.281 8.463 ( 2.097 3.451 -0.148) 4.041 8.609 ( 0.951 0.658 -3.199) 3.402 8.821 ( -1.575 4.190 11.542) 12.379 9.000 ( -0.177 -2.220 -1.429) 2.647 9.066 ( 0.564 0.274 -0.984) 1.167 9.116 ( 0.787 1.311 -2.820) 3.208 9.290 ( 2.177 0.900 0.595) 2.429 9.616 ( -3.459 2.548 6.740) 7.993 9.939 ( 3.333 -1.882 -0.735) 3.898 10.279 ( -1.641 -0.228 4.670) 4.955 10.644 ( 1.098 -5.295 -2.992) 6.180 10.832 ( -1.373 0.833 -1.473) 2.179 10.924 ( 0.312 3.002 -1.677) 3.453 12.762 ( -0.239 2.313 -0.474) 2.373 13.228 ( -1.170 -4.068 -0.266) 4.242 13.947 ( 0.491 5.715 0.530) 5.761 14.146 ( -1.136 0.332 -3.006) 3.230 14.365 ( 2.642 -0.886 -2.164) 3.529 15.229 ( 6.201 -10.473 4.982) 13.151 15.364 ( -2.777 1.456 5.930) 6.708 15.658 ( -10.466 -1.927 5.867) 12.152 16.913 ( -1.341 -0.554 2.523) 2.911 17.003 ( -2.364 0.925 -0.753) 2.648 17.128 ( 2.007 10.153 0.617) 10.367 18.295 ( 5.066 -4.011 -9.524) 11.509 19.401 ( -0.703 -0.773 -2.197) 2.433 19.503 ( 0.849 -1.650 -1.049) 2.132 ======================= Grid point 163 (81/144) ======================= q-point: (-0.40 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( -8.280 -4.032 2.799) 9.626 1.740 ( -8.439 1.332 7.465) 11.345 1.794 ( -2.103 -3.573 3.915) 5.702 2.192 ( -4.974 -4.413 -9.362) 11.483 2.332 ( -3.514 1.137 -6.586) 7.551 2.603 ( -3.254 -0.105 -9.326) 9.878 2.611 ( 2.895 -2.234 2.546) 4.456 2.854 ( 2.203 3.003 -0.610) 3.774 2.890 ( 4.413 2.875 -8.251) 9.789 3.011 ( -4.708 1.260 -4.081) 6.357 3.122 ( -2.180 9.093 3.232) 9.894 3.444 ( -5.156 -5.691 -0.077) 7.680 3.575 ( -3.510 -2.308 3.166) 5.260 3.713 ( -5.400 -2.540 2.253) 6.378 3.828 ( 2.398 0.303 2.576) 3.532 4.109 ( -6.589 -4.203 -2.087) 8.090 4.230 ( -1.278 -2.995 -0.595) 3.311 4.334 ( -2.054 0.091 2.673) 3.372 4.365 ( -7.113 0.109 -4.777) 8.569 4.641 ( 5.262 -1.133 -1.247) 5.525 4.749 ( -1.539 1.495 -2.313) 3.155 4.930 ( -3.191 -1.013 -4.747) 5.809 6.831 ( 6.400 2.144 3.735) 7.715 7.446 ( 3.972 -4.426 -0.111) 5.948 7.668 ( -0.594 -1.322 5.941) 6.115 8.000 ( -3.050 -1.336 -0.735) 3.410 8.414 ( 1.156 -0.207 -1.526) 1.925 8.491 ( 0.735 3.098 -0.294) 3.198 8.613 ( 0.112 0.308 -5.623) 5.632 8.795 ( -2.947 4.211 11.993) 13.048 8.962 ( -3.024 -2.254 -1.290) 3.986 9.030 ( -2.342 1.888 -1.436) 3.333 9.098 ( -2.758 1.177 -3.207) 4.390 9.346 ( 2.367 -1.024 -0.101) 2.581 9.578 ( -0.917 3.529 5.863) 6.904 9.999 ( 1.834 -2.838 0.646) 3.440 10.267 ( -0.050 0.906 4.566) 4.655 10.685 ( 3.410 -5.547 -4.019) 7.652 10.822 ( 0.864 1.619 -0.553) 1.917 10.941 ( 1.559 2.736 -1.690) 3.574 12.768 ( 0.940 2.552 -0.399) 2.749 13.220 ( 0.482 -3.629 0.102) 3.662 13.942 ( -0.971 5.748 0.359) 5.840 14.077 ( -4.502 0.646 -2.124) 5.019 14.429 ( 3.573 -1.813 -3.145) 5.094 15.022 ( -18.799 -4.228 0.904) 19.290 15.363 ( 1.141 -0.490 4.827) 4.984 15.773 ( 12.389 -7.289 12.743) 19.210 16.855 ( -4.577 -0.010 1.620) 4.856 16.979 ( 0.009 0.017 -0.580) 0.580 17.203 ( 5.267 11.678 0.192) 12.812 18.410 ( 7.965 -3.240 -9.057) 12.488 19.393 ( 0.255 -0.783 -1.669) 1.861 19.527 ( 1.459 -2.104 -1.465) 2.950 ======================= Grid point 164 (82/144) ======================= q-point: (-0.30 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( -10.000 2.341 11.034) 15.074 1.503 ( -13.780 0.684 11.144) 17.735 1.793 ( -0.210 0.893 2.885) 3.027 2.133 ( 0.150 -1.376 -7.358) 7.487 2.284 ( -0.636 -2.999 -0.021) 3.066 2.457 ( -7.424 7.384 -11.019) 15.201 2.587 ( -15.352 2.977 9.412) 18.252 2.728 ( -4.709 4.246 -0.905) 6.405 2.901 ( 2.897 -0.594 1.613) 3.368 3.010 ( -1.056 -3.372 -1.374) 3.791 3.163 ( 2.815 4.473 1.964) 5.638 3.350 ( -3.973 -0.739 3.704) 5.482 3.516 ( -3.152 -2.744 0.744) 4.244 3.634 ( -2.061 -5.221 -1.593) 5.835 3.898 ( 2.606 1.338 1.316) 3.212 3.919 ( -9.545 -5.694 -5.272) 12.301 4.161 ( -5.373 -4.146 -1.453) 6.941 4.211 ( -6.636 4.146 -4.607) 9.080 4.287 ( -2.076 -1.694 2.368) 3.576 4.636 ( -5.664 -0.848 -9.223) 10.857 4.745 ( 2.853 0.779 -1.183) 3.186 4.902 ( 1.431 -0.045 0.570) 1.541 6.992 ( 8.351 1.996 3.173) 9.154 7.565 ( 7.016 -3.777 1.057) 8.038 7.676 ( 0.551 -2.569 5.747) 6.320 7.904 ( -5.619 -1.425 -1.701) 6.042 8.407 ( -2.521 0.093 -0.469) 2.566 8.485 ( -2.007 2.861 -0.348) 3.513 8.599 ( -0.154 -2.162 -7.100) 7.423 8.742 ( -2.904 3.745 5.594) 7.332 8.879 ( -4.401 -2.331 -1.299) 5.147 8.962 ( -5.457 1.883 -1.583) 5.986 9.045 ( -0.188 2.393 -0.681) 2.495 9.372 ( 0.509 -1.364 -0.785) 1.654 9.581 ( -0.238 2.811 3.461) 4.465 10.005 ( -1.194 -4.103 2.216) 4.813 10.286 ( 0.919 3.649 4.458) 5.834 10.766 ( 4.924 -5.794 -4.299) 8.735 10.871 ( 3.823 1.412 -0.336) 4.090 10.980 ( 2.487 2.685 -1.779) 4.070 12.798 ( 1.935 3.209 -0.353) 3.764 13.250 ( 2.411 -3.017 0.573) 3.904 13.911 ( -1.983 4.585 0.111) 4.996 13.973 ( -5.126 0.901 -0.815) 5.268 14.472 ( -1.039 -3.261 -4.439) 5.605 14.662 ( -13.530 -2.142 -2.889) 13.999 15.388 ( 0.418 -0.233 6.479) 6.497 16.023 ( 8.024 -11.870 16.750) 22.042 16.753 ( -4.455 0.092 -0.390) 4.473 16.993 ( 1.198 -0.968 -0.284) 1.567 17.339 ( 7.607 15.336 0.949) 17.145 18.602 ( 12.044 -1.850 -8.477) 14.844 19.404 ( 0.920 -0.769 -1.041) 1.588 19.553 ( 1.153 -2.139 -1.489) 2.850 ======================= Grid point 165 (83/144) ======================= q-point: (-0.20 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( -3.328 4.247 21.110) 21.789 1.249 ( -12.147 3.419 15.182) 19.742 1.779 ( -1.626 3.755 2.100) 4.599 2.088 ( -12.404 5.432 6.567) 15.050 2.185 ( -10.407 9.473 -2.475) 14.289 2.254 ( -7.241 1.000 -3.617) 8.156 2.352 ( 0.643 0.782 8.040) 8.104 2.709 ( -0.381 4.031 -1.900) 4.473 2.927 ( -3.201 -2.578 4.686) 6.233 2.981 ( 2.631 -4.726 4.730) 7.185 3.173 ( -2.689 -1.817 0.872) 3.361 3.277 ( -4.210 4.296 5.791) 8.349 3.433 ( -4.654 -3.135 -1.073) 5.713 3.626 ( 1.117 -5.191 -4.571) 7.006 3.707 ( -8.239 -5.958 -0.109) 10.168 3.879 ( -6.774 -0.865 -6.794) 9.632 4.057 ( -4.358 0.961 -2.665) 5.198 4.101 ( -3.171 3.159 0.258) 4.483 4.259 ( -1.010 -2.643 -0.426) 2.861 4.496 ( -5.861 1.472 -8.878) 10.739 4.800 ( 2.829 0.850 -2.302) 3.745 5.022 ( 11.055 0.124 0.449) 11.065 7.166 ( 7.684 2.036 3.055) 8.516 7.678 ( 1.496 -3.116 7.177) 7.966 7.729 ( 2.698 -4.220 0.569) 5.041 7.804 ( -0.561 -0.588 -1.765) 1.943 8.276 ( -10.227 1.435 -3.456) 10.890 8.394 ( -5.678 0.374 0.636) 5.726 8.600 ( -0.067 -3.608 -6.294) 7.255 8.692 ( -2.349 -0.035 0.672) 2.444 8.821 ( -6.819 1.093 -0.080) 6.906 8.829 ( 0.407 0.992 -4.442) 4.569 9.062 ( 0.787 3.218 -0.564) 3.361 9.380 ( 0.610 -2.420 -0.350) 2.520 9.564 ( -1.692 1.988 0.596) 2.678 9.979 ( -1.152 -4.715 3.337) 5.890 10.310 ( 0.644 6.005 4.730) 7.671 10.866 ( 4.963 -5.461 -3.000) 7.965 10.956 ( 4.055 0.506 -0.904) 4.185 11.039 ( 3.617 2.487 -1.854) 4.765 12.844 ( 2.513 4.320 -0.567) 5.030 13.319 ( 4.157 -2.479 1.153) 4.975 13.866 ( -2.335 2.869 -0.079) 3.700 13.870 ( -5.035 1.127 0.890) 5.236 14.269 ( -12.664 -1.097 -3.446) 13.170 14.560 ( -1.045 -5.519 -10.540) 11.943 15.424 ( 3.014 -0.887 12.011) 12.415 16.107 ( -2.548 -11.896 16.290) 20.331 16.710 ( 0.526 -2.746 -0.894) 2.936 17.023 ( 1.784 -2.892 -0.322) 3.414 17.502 ( 7.695 20.303 2.218) 21.825 18.860 ( 13.387 -0.840 -8.720) 15.998 19.424 ( 1.009 -0.358 0.240) 1.097 19.566 ( 0.392 -1.416 -0.944) 1.746 ======================= Grid point 166 (84/144) ======================= q-point: (-0.10 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( -5.104 0.366 19.325) 19.991 1.128 ( -1.222 8.621 22.466) 24.094 1.739 ( -2.566 2.369 -0.005) 3.492 1.766 ( -11.458 16.412 19.287) 27.796 2.075 ( -6.443 3.592 -2.343) 7.740 2.132 ( -1.209 7.611 -6.194) 9.887 2.404 ( 1.159 -3.686 10.970) 11.631 2.697 ( -0.127 5.292 -4.677) 7.064 2.928 ( 2.293 -0.627 5.720) 6.194 2.980 ( -3.450 -4.566 9.957) 11.484 3.166 ( 2.832 -2.268 0.615) 3.680 3.180 ( -5.242 -0.136 6.782) 8.573 3.344 ( -3.460 -2.637 -2.202) 4.876 3.571 ( -1.769 -7.122 -1.235) 7.442 3.625 ( -10.055 -1.743 -3.320) 10.731 3.715 ( -0.622 -1.162 -1.792) 2.224 3.963 ( -4.106 2.741 1.563) 5.179 4.066 ( -0.153 1.307 -3.120) 3.386 4.229 ( -1.902 -0.589 -2.139) 2.922 4.382 ( -3.625 4.592 -5.970) 8.359 4.849 ( 1.938 1.653 -1.940) 3.202 5.318 ( 15.141 -0.734 -6.000) 16.303 7.298 ( 4.234 2.214 3.330) 5.824 7.683 ( -2.100 -1.408 0.484) 2.575 7.697 ( -0.951 -4.595 5.722) 7.400 7.925 ( 7.233 -2.193 -0.197) 7.561 8.025 ( -11.721 4.131 -3.421) 12.890 8.274 ( -6.152 -2.249 1.382) 6.694 8.545 ( -2.736 -3.982 -2.078) 5.259 8.679 ( -2.131 3.953 1.908) 4.879 8.694 ( -1.920 -5.781 -9.333) 11.145 8.883 ( 4.321 2.200 -3.820) 6.172 9.045 ( -2.570 4.039 -2.880) 5.587 9.388 ( -0.392 -4.591 0.170) 4.611 9.525 ( -1.644 1.427 -1.912) 2.897 9.995 ( 2.529 -5.569 3.616) 7.105 10.329 ( 0.556 7.209 5.312) 8.972 10.934 ( 1.847 -3.716 -3.007) 5.124 11.027 ( 2.671 0.022 -0.697) 2.760 11.115 ( 3.626 0.527 -1.361) 3.909 12.893 ( 2.226 5.812 -1.381) 6.375 13.422 ( 5.371 -2.234 2.558) 6.355 13.751 ( -7.016 1.117 3.307) 7.836 13.823 ( -1.797 1.222 -0.387) 2.207 14.076 ( -3.927 -0.151 -7.358) 8.341 14.483 ( -4.665 -6.137 -9.445) 12.192 15.608 ( 13.902 -7.453 14.142) 21.186 16.004 ( -8.590 -9.354 13.035) 18.199 16.735 ( 0.994 -5.371 -0.222) 5.466 17.064 ( 2.321 -5.722 -0.647) 6.209 17.650 ( 6.217 25.666 2.674) 26.543 19.027 ( 1.130 -0.190 -10.337) 10.400 19.466 ( 3.786 0.946 2.490) 4.630 19.570 ( 0.207 -0.490 0.024) 0.532 ======================= Grid point 167 (85/144) ======================= q-point: ( 0.00 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( 5.067 11.432 9.703) 15.827 1.334 ( -1.512 10.219 16.438) 19.415 1.728 ( 3.582 -2.084 -4.351) 6.009 1.845 ( -9.260 -1.641 2.053) 9.626 2.140 ( 2.729 13.205 8.656) 16.023 2.362 ( 0.567 11.129 1.851) 11.296 2.425 ( 1.837 2.184 10.203) 10.595 2.790 ( -0.134 2.631 -0.120) 2.637 2.863 ( -1.080 0.700 3.993) 4.195 2.990 ( 0.759 -2.385 1.244) 2.795 3.062 ( 1.169 -0.435 5.862) 5.994 3.196 ( 3.273 -4.784 -5.884) 8.259 3.257 ( 3.687 -2.075 1.255) 4.413 3.430 ( 3.309 -6.874 -3.848) 8.545 3.611 ( 0.952 6.206 1.006) 6.359 3.679 ( 0.166 -2.164 2.139) 3.047 3.897 ( -1.453 -4.377 -1.910) 4.992 4.021 ( 1.246 -1.647 -2.347) 3.126 4.285 ( -0.129 5.924 0.991) 6.007 4.439 ( -0.504 3.169 3.267) 4.580 4.931 ( -0.886 5.092 1.262) 5.320 5.395 ( -1.639 -6.103 -4.435) 7.721 7.403 ( -1.338 4.733 2.011) 5.314 7.622 ( 0.796 -0.798 -1.497) 1.874 7.669 ( 3.359 -0.995 0.771) 3.587 7.934 ( -1.093 -3.885 0.801) 4.115 7.975 ( -1.338 0.544 -2.368) 2.774 8.131 ( -2.856 1.279 0.281) 3.142 8.433 ( 1.702 -6.333 -2.241) 6.931 8.511 ( -0.083 -6.947 -6.576) 9.566 8.760 ( 0.198 5.589 0.032) 5.593 8.974 ( 2.357 -0.365 -3.301) 4.073 9.082 ( -2.066 5.684 -3.487) 6.981 9.275 ( -1.768 -2.972 3.906) 5.217 9.532 ( -0.327 1.735 -2.223) 2.838 9.878 ( 0.464 -9.845 0.901) 9.897 10.506 ( 0.365 7.933 3.335) 8.613 10.866 ( -0.540 -4.258 -2.550) 4.993 11.059 ( 0.299 0.456 -0.124) 0.559 11.135 ( -0.191 -1.489 -1.112) 1.868 13.072 ( 0.394 8.249 -4.146) 9.241 13.445 ( 0.609 -3.491 2.451) 4.309 13.685 ( -0.640 1.490 2.573) 3.042 13.786 ( -1.893 -0.880 0.393) 2.124 14.084 ( 4.736 -0.220 -8.459) 9.697 14.263 ( -2.049 -5.796 -4.177) 7.433 15.605 ( 1.267 -8.268 9.034) 12.312 15.791 ( 4.770 -8.917 9.605) 13.947 16.698 ( 0.419 0.211 -2.933) 2.970 16.935 ( 1.067 -8.121 -2.270) 8.499 18.276 ( 3.578 21.675 2.675) 22.131 18.904 ( -9.858 0.514 -2.603) 10.209 19.555 ( 1.156 0.107 1.528) 1.919 19.567 ( 0.070 -0.546 1.052) 1.187 ======================= Grid point 168 (86/144) ======================= q-point: ( 0.10 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 5.580 10.959 12.929) 17.843 1.355 ( 5.128 5.644 9.717) 12.352 1.674 ( -6.465 -4.416 -0.525) 7.847 1.855 ( 7.703 -0.417 -3.496) 8.470 2.234 ( 4.651 12.298 5.380) 14.206 2.360 ( -0.597 6.849 0.816) 6.923 2.515 ( 4.130 -0.315 10.940) 11.698 2.811 ( 3.014 5.381 0.454) 6.184 2.905 ( 4.013 2.513 1.301) 4.910 3.055 ( 5.641 -3.281 2.296) 6.918 3.105 ( 2.166 -1.016 1.936) 3.078 3.265 ( 6.444 -2.690 1.333) 7.109 3.382 ( 5.772 -4.286 0.180) 7.192 3.509 ( 5.734 -3.858 -4.913) 8.479 3.632 ( -0.907 -1.062 -4.848) 5.045 3.718 ( 3.806 -2.158 4.326) 6.153 3.964 ( 8.251 -1.292 0.513) 8.367 4.075 ( 3.168 1.063 1.465) 3.649 4.287 ( 0.717 5.325 -1.322) 5.533 4.444 ( 0.291 2.102 1.995) 2.912 4.861 ( -5.479 4.080 1.162) 6.929 5.190 ( -15.460 -3.779 -6.603) 17.230 7.315 ( -7.105 5.050 2.545) 9.081 7.650 ( 0.783 -1.434 -3.106) 3.509 7.763 ( 3.632 -1.736 1.776) 4.400 7.901 ( -0.755 -1.998 2.873) 3.580 7.952 ( 1.574 0.707 -0.626) 1.836 8.154 ( 3.322 -0.025 -3.246) 4.644 8.466 ( 1.808 -6.798 -6.054) 9.281 8.573 ( 6.043 -5.134 -1.001) 7.993 8.784 ( 2.194 5.589 -0.239) 6.009 8.960 ( -2.227 4.473 -1.762) 5.298 9.084 ( 1.989 0.847 -4.236) 4.756 9.252 ( -0.811 -1.304 4.201) 4.473 9.546 ( 1.997 1.244 -1.612) 2.852 9.875 ( -0.879 -10.300 0.934) 10.380 10.498 ( -1.652 7.432 3.527) 8.391 10.817 ( -3.527 -3.585 -2.941) 5.826 11.051 ( -0.964 0.541 -0.022) 1.106 11.104 ( -2.608 -1.903 -1.337) 3.495 13.035 ( -2.954 7.535 -2.786) 8.560 13.394 ( -4.289 -2.701 1.101) 5.187 13.756 ( 4.915 -0.202 1.962) 5.296 13.785 ( 1.992 -0.484 1.317) 2.437 14.216 ( 7.908 -2.841 -6.771) 10.791 14.249 ( 1.858 -3.033 -5.535) 6.579 15.586 ( -2.171 -2.960 7.323) 8.192 15.986 ( 9.104 -17.582 7.741) 21.258 16.711 ( 1.778 1.237 -3.119) 3.797 16.964 ( 2.200 -8.029 -2.704) 8.753 18.294 ( -1.966 16.790 1.201) 16.947 18.589 ( -19.876 8.336 1.956) 21.642 19.543 ( -1.849 -0.370 0.294) 1.908 19.560 ( -0.989 -1.009 0.987) 1.724 ======================= Grid point 169 (87/144) ======================= q-point: ( 0.20 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( -2.581 0.970 11.705) 12.025 1.583 ( -1.495 -5.770 -0.270) 5.966 1.610 ( 11.931 7.261 2.291) 14.154 1.999 ( 6.530 1.514 -3.787) 7.699 2.301 ( -1.134 12.005 5.544) 13.272 2.378 ( 4.005 -1.976 2.380) 5.060 2.585 ( 1.476 0.537 2.712) 3.134 2.909 ( 5.394 9.325 -3.653) 11.375 2.999 ( 4.899 0.657 3.575) 6.100 3.171 ( 3.283 -2.513 2.534) 4.849 3.207 ( 7.282 -3.595 2.079) 8.383 3.407 ( 4.855 -3.440 -3.126) 6.722 3.510 ( 9.424 -3.824 -2.037) 10.372 3.608 ( 3.918 -5.589 -0.815) 6.874 3.676 ( 5.376 0.206 -1.736) 5.653 3.813 ( 5.648 -3.565 2.265) 7.053 4.091 ( 1.094 3.890 5.064) 6.479 4.198 ( 9.406 0.934 1.134) 9.520 4.310 ( 1.615 2.974 -4.286) 5.460 4.415 ( -4.330 2.279 -4.512) 6.656 4.772 ( -2.981 0.240 0.091) 2.992 4.855 ( -11.933 -2.149 -3.918) 12.743 7.147 ( -9.161 5.301 2.874) 10.968 7.594 ( -5.603 -6.835 0.142) 8.839 7.776 ( -0.773 -0.151 -1.551) 1.740 7.925 ( 1.756 1.197 1.996) 2.916 8.091 ( 9.806 1.837 2.323) 10.243 8.226 ( 4.362 -1.788 -4.855) 6.767 8.493 ( 1.670 -3.100 -4.323) 5.576 8.704 ( 6.129 -5.039 -0.340) 7.942 8.840 ( 3.037 5.076 -1.000) 5.999 8.931 ( -0.246 6.826 0.361) 6.840 9.109 ( 0.939 -1.270 -1.535) 2.203 9.258 ( 0.626 -0.326 1.941) 2.066 9.606 ( 3.773 0.995 0.051) 3.903 9.850 ( -1.607 -7.701 2.551) 8.270 10.455 ( -2.822 5.635 2.848) 6.916 10.723 ( -4.949 -4.068 -3.528) 7.313 11.022 ( -2.316 0.400 0.328) 2.373 11.035 ( -3.127 -0.939 -1.494) 3.590 12.963 ( -3.449 6.047 -1.405) 7.102 13.304 ( -4.259 -3.945 0.255) 5.811 13.839 ( 4.034 0.998 1.034) 4.282 13.884 ( 5.902 0.252 1.913) 6.209 14.276 ( 2.351 -1.477 -2.759) 3.914 14.397 ( 9.416 -4.805 -8.447) 13.532 15.558 ( -1.922 1.156 6.629) 6.998 16.104 ( 0.699 -18.471 6.645) 19.643 16.771 ( 4.280 1.343 -2.188) 4.990 17.016 ( 3.029 -6.264 -2.947) 7.556 18.143 ( -22.687 12.786 7.217) 27.024 18.221 ( -4.729 9.043 -4.270) 11.062 19.495 ( -2.446 -0.393 -0.475) 2.523 19.535 ( -1.563 -1.280 0.330) 2.047 ======================= Grid point 170 (88/144) ======================= q-point: ( 0.30 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( -1.477 -4.303 4.022) 6.073 1.555 ( -0.070 -9.009 -4.000) 9.857 1.844 ( 8.787 3.808 0.733) 9.605 2.116 ( 5.936 0.931 -3.612) 7.011 2.242 ( -4.477 3.015 6.217) 8.233 2.484 ( 5.663 4.679 -1.979) 7.608 2.615 ( 1.603 -0.170 2.079) 2.631 2.971 ( 1.561 8.735 -5.156) 10.263 3.076 ( -1.577 -1.505 -0.235) 2.193 3.199 ( 2.623 -0.063 -1.493) 3.019 3.349 ( 6.052 -7.922 1.489) 10.080 3.523 ( 5.548 0.801 -2.400) 6.098 3.597 ( -3.898 -0.710 -3.941) 5.588 3.733 ( 1.998 -2.100 1.212) 3.142 3.749 ( 8.270 -4.140 0.623) 9.269 3.965 ( 7.429 -3.996 -1.600) 8.586 4.108 ( 0.882 5.028 6.732) 8.448 4.283 ( -4.936 2.308 -7.090) 8.942 4.332 ( 1.850 -0.866 -2.681) 3.371 4.358 ( 4.958 -1.059 -0.120) 5.071 4.662 ( -0.175 1.485 -1.036) 1.819 4.865 ( 4.860 -3.021 -0.332) 5.732 6.969 ( -8.175 5.592 3.089) 10.375 7.459 ( -6.964 -8.791 0.876) 11.249 7.753 ( -1.228 1.293 -0.884) 1.990 7.961 ( 1.569 0.494 -0.831) 1.843 8.278 ( 5.760 0.843 1.741) 6.076 8.321 ( 6.653 -0.358 -3.161) 7.374 8.533 ( 2.962 0.653 -0.872) 3.156 8.812 ( 4.504 -5.350 -0.644) 7.023 8.907 ( 3.883 4.888 -1.653) 6.458 8.940 ( 0.381 6.899 5.220) 8.660 9.130 ( 1.410 -0.925 -1.782) 2.453 9.270 ( 0.223 -0.418 0.760) 0.895 9.684 ( 2.926 0.945 2.565) 4.004 9.827 ( -0.845 -4.352 3.550) 5.679 10.397 ( -3.143 3.280 1.731) 4.861 10.614 ( -4.704 -5.004 -4.320) 8.114 10.951 ( -3.364 0.417 -0.090) 3.390 10.995 ( -1.485 0.420 -0.184) 1.554 12.896 ( -2.834 4.922 -0.802) 5.735 13.225 ( -3.437 -5.091 -0.014) 6.143 13.932 ( 4.631 3.114 1.327) 5.736 14.011 ( 6.118 0.500 0.722) 6.181 14.315 ( 1.741 -0.307 -3.727) 4.125 14.584 ( 9.974 -7.345 -4.201) 13.080 15.518 ( -2.968 3.508 6.202) 7.719 16.043 ( -7.176 -14.347 5.931) 17.103 16.858 ( 3.935 1.456 -0.637) 4.244 17.061 ( 1.353 -3.043 -1.970) 3.870 17.714 ( -18.708 14.705 4.113) 24.149 18.135 ( -2.484 -0.815 -5.401) 6.001 19.449 ( -1.927 -0.349 -1.246) 2.321 19.500 ( -1.692 -1.425 -0.034) 2.213 ======================= Grid point 171 (89/144) ======================= q-point: ( 0.40 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( -0.120 -7.414 -3.081) 8.029 1.577 ( 3.098 -10.356 -6.001) 12.363 1.943 ( 0.895 -0.099 -0.006) 0.900 2.169 ( -2.420 -2.074 1.950) 3.737 2.235 ( 5.879 -2.070 -3.034) 6.932 2.600 ( 4.584 7.383 -3.132) 9.238 2.632 ( -0.692 -1.011 0.757) 1.440 2.952 ( -4.356 4.115 -8.658) 10.530 2.987 ( -1.292 5.158 -2.383) 5.827 3.260 ( 1.114 -1.493 -2.410) 3.046 3.397 ( -8.518 2.345 -8.924) 12.558 3.434 ( 0.377 -3.374 -1.851) 3.867 3.581 ( -0.211 -1.632 0.832) 1.844 3.780 ( 1.088 -2.112 4.056) 4.700 3.869 ( 2.622 -3.488 1.797) 4.719 4.029 ( 0.626 -3.887 -2.786) 4.823 4.183 ( 4.211 0.741 2.748) 5.083 4.259 ( 2.595 1.426 0.500) 3.003 4.397 ( 4.382 -0.444 1.746) 4.738 4.429 ( 2.399 -3.087 -1.689) 4.259 4.729 ( 4.371 2.983 -0.397) 5.306 4.946 ( 2.645 -3.265 -3.153) 5.253 6.841 ( -4.400 5.587 3.270) 7.827 7.334 ( -4.875 -8.866 0.523) 10.131 7.724 ( -1.568 1.866 0.456) 2.480 7.986 ( 1.044 -2.005 -3.174) 3.897 8.345 ( 2.414 0.818 -1.462) 2.938 8.455 ( 5.239 1.879 0.337) 5.575 8.603 ( 3.216 2.814 0.750) 4.339 8.886 ( 2.517 -5.152 -0.344) 5.744 8.945 ( -0.141 7.174 8.026) 10.766 9.009 ( 5.226 2.981 0.354) 6.027 9.149 ( 0.498 0.302 -2.457) 2.525 9.274 ( 0.194 -1.051 0.424) 1.150 9.708 ( -1.162 1.936 6.216) 6.614 9.842 ( 1.853 -2.578 1.506) 3.514 10.332 ( -3.224 1.410 0.629) 3.575 10.537 ( -1.836 -5.737 -4.478) 7.506 10.895 ( -2.076 1.477 0.542) 2.605 10.971 ( -0.852 0.712 0.213) 1.130 12.847 ( -1.720 4.267 -0.570) 4.636 13.165 ( -2.385 -5.574 -0.149) 6.065 14.022 ( 3.691 5.116 1.496) 6.483 14.123 ( 4.350 0.693 -0.809) 4.479 14.334 ( 0.871 0.674 -3.864) 4.018 14.793 ( 10.471 -10.797 0.665) 15.055 15.461 ( -3.246 3.950 5.640) 7.613 15.843 ( -12.616 -8.541 5.274) 16.122 16.912 ( 1.176 1.219 0.059) 1.695 17.057 ( -1.637 -1.146 -0.892) 2.189 17.435 ( -8.070 14.757 1.476) 16.884 18.115 ( 1.484 -6.995 -7.126) 10.095 19.413 ( -1.383 -0.383 -1.661) 2.195 19.472 ( -0.941 -1.654 -0.281) 1.924 ======================= Grid point 172 (90/144) ======================= q-point: (-0.50 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 1.247 -5.214 -5.522) 7.697 1.648 ( 4.149 -8.016 -6.333) 11.027 1.900 ( -4.778 -0.935 2.524) 5.484 2.133 ( -2.389 -8.364 -3.481) 9.369 2.354 ( 5.857 -3.918 -0.382) 7.057 2.561 ( -3.229 -3.945 -5.048) 7.175 2.592 ( -5.043 6.963 -7.004) 11.089 2.930 ( 3.710 7.802 -8.010) 11.781 2.977 ( -0.256 5.880 -1.313) 6.030 3.181 ( -6.991 -2.624 -5.141) 9.066 3.276 ( -0.954 7.409 -4.182) 8.561 3.434 ( -0.955 -5.505 -4.324) 7.065 3.556 ( -2.292 -3.152 3.525) 5.255 3.762 ( -3.246 0.706 4.881) 5.904 3.861 ( -3.270 -0.550 4.313) 5.440 4.049 ( 1.086 -6.718 -2.367) 7.205 4.221 ( -0.980 -1.028 1.254) 1.895 4.311 ( 0.640 -1.834 3.164) 3.712 4.448 ( -0.206 -0.772 -2.500) 2.625 4.505 ( 5.501 -0.582 1.781) 5.811 4.791 ( 1.377 2.469 -0.437) 2.861 4.954 ( -1.170 -2.708 -4.756) 5.596 6.813 ( 1.261 5.109 3.245) 6.182 7.278 ( -0.380 -8.329 0.243) 8.342 7.691 ( -1.664 1.905 1.423) 2.903 7.985 ( -0.739 -4.310 -4.472) 6.254 8.391 ( 2.280 2.121 -0.611) 3.173 8.532 ( 2.476 2.542 -0.355) 3.566 8.646 ( 0.782 3.181 -0.383) 3.298 8.910 ( -0.272 -0.630 4.975) 5.022 8.949 ( -1.037 2.936 5.189) 6.052 9.097 ( 2.024 2.107 0.040) 2.922 9.142 ( -0.365 1.047 -2.291) 2.545 9.280 ( 0.396 -2.224 1.107) 2.515 9.682 ( -1.687 3.970 6.672) 7.945 9.893 ( 2.750 -2.617 0.952) 3.914 10.282 ( -1.325 0.799 0.237) 1.565 10.523 ( 0.989 -6.374 -4.545) 7.891 10.867 ( -0.758 2.434 1.158) 2.800 10.963 ( 0.141 0.860 0.325) 0.930 12.826 ( -0.223 4.040 -0.474) 4.073 13.130 ( -0.877 -5.442 -0.094) 5.514 14.076 ( 1.073 5.937 1.232) 6.158 14.165 ( -0.342 1.927 -1.432) 2.425 14.354 ( 1.885 0.663 -3.897) 4.379 14.974 ( 4.631 -14.234 2.630) 15.197 15.406 ( -3.513 2.712 5.750) 7.264 15.608 ( -7.839 -3.099 5.458) 10.042 16.911 ( -1.139 0.545 0.604) 1.400 17.002 ( -2.742 -0.839 -1.149) 3.089 17.386 ( 2.114 14.723 0.104) 14.875 18.169 ( 4.975 -8.695 -7.515) 12.524 19.388 ( -0.721 -0.334 -1.483) 1.682 19.464 ( 0.237 -2.175 -0.599) 2.268 ======================= Grid point 173 (91/144) ======================= q-point: (-0.40 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( -0.288 1.549 -2.827) 3.237 1.721 ( 3.838 -3.804 -4.957) 7.333 1.760 ( -9.064 0.895 5.758) 10.775 2.062 ( -2.334 -7.691 -3.372) 8.716 2.359 ( -4.889 0.422 -7.124) 8.651 2.525 ( 0.838 -5.155 -1.093) 5.336 2.598 ( 5.638 -0.362 -3.371) 6.579 2.950 ( -1.153 6.569 -3.694) 7.624 2.975 ( 0.035 3.715 -5.991) 7.049 3.029 ( -6.800 0.679 -4.790) 8.345 3.298 ( 0.200 4.556 -1.989) 4.976 3.362 ( -4.126 -1.285 0.829) 4.400 3.496 ( -3.320 -1.463 3.530) 5.062 3.687 ( -5.112 -0.453 5.254) 7.344 3.805 ( -0.824 -2.493 4.086) 4.857 4.006 ( -5.972 -6.476 -3.625) 9.526 4.170 ( -3.622 -2.101 0.390) 4.206 4.285 ( -2.613 -3.681 3.558) 5.748 4.410 ( -3.364 3.047 -3.374) 5.656 4.604 ( 3.302 -2.567 -1.557) 4.462 4.786 ( -1.470 2.061 -0.529) 2.586 4.904 ( -2.174 -1.592 -2.598) 3.743 6.897 ( 6.101 4.512 2.883) 8.118 7.323 ( 4.611 -7.621 0.342) 8.914 7.662 ( -1.385 1.163 2.197) 2.846 7.937 ( -3.186 -5.004 -4.495) 7.443 8.430 ( 1.285 2.192 -0.329) 2.562 8.562 ( 0.625 2.602 -1.367) 3.005 8.634 ( -1.747 2.524 -1.835) 3.576 8.895 ( -1.932 -0.263 4.161) 4.595 8.903 ( -4.146 2.547 3.987) 6.291 9.087 ( -1.738 3.076 -0.509) 3.570 9.112 ( -2.727 0.234 -2.502) 3.708 9.301 ( 1.149 -3.530 2.538) 4.498 9.670 ( -0.570 5.385 5.280) 7.563 9.940 ( 1.029 -3.016 1.637) 3.582 10.289 ( 1.947 1.456 0.621) 2.509 10.560 ( 3.317 -6.683 -4.987) 8.974 10.871 ( 0.965 2.966 1.427) 3.430 10.978 ( 1.254 0.808 0.156) 1.500 12.837 ( 1.411 4.251 -0.460) 4.502 13.132 ( 1.069 -4.950 0.161) 5.067 14.067 ( -1.935 4.704 0.503) 5.112 14.114 ( -4.021 4.190 -0.212) 5.811 14.392 ( 2.031 -1.083 -5.217) 5.702 14.884 ( -12.419 -9.554 -1.142) 15.710 15.368 ( 0.137 1.311 5.792) 5.940 15.623 ( 5.792 -7.123 10.305) 13.801 16.864 ( -3.641 0.991 0.640) 3.827 16.964 ( -0.768 -1.346 -1.503) 2.159 17.488 ( 7.541 15.917 0.174) 17.614 18.300 ( 9.029 -8.139 -7.129) 14.092 19.381 ( 0.254 -0.213 -0.958) 1.014 19.477 ( 1.083 -2.672 -0.709) 2.969 ======================= Grid point 174 (92/144) ======================= q-point: (-0.30 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( -4.438 8.168 3.802) 10.043 1.563 ( -9.858 6.005 9.300) 14.823 1.804 ( 3.586 -1.087 -3.998) 5.479 2.064 ( 2.160 -5.635 3.995) 7.238 2.269 ( -2.047 2.145 -6.476) 7.123 2.531 ( -1.624 -3.237 -1.823) 4.054 2.645 ( -2.169 3.278 2.279) 4.543 2.811 ( -10.612 2.085 0.460) 10.825 2.939 ( -0.371 5.377 -3.044) 6.190 2.983 ( -1.370 2.551 -3.510) 4.550 3.171 ( -5.236 -2.476 -0.266) 5.798 3.370 ( -0.563 -3.423 -1.036) 3.621 3.435 ( -3.879 1.098 1.511) 4.305 3.595 ( -3.265 0.772 5.544) 6.480 3.804 ( -10.376 -5.577 -4.374) 12.565 3.864 ( 3.573 -6.088 2.388) 7.452 4.075 ( -5.148 -2.137 0.337) 5.584 4.240 ( -3.341 -2.431 2.504) 4.831 4.307 ( -4.735 4.576 -4.117) 7.766 4.594 ( -3.487 -3.335 -6.087) 7.768 4.776 ( 1.483 2.172 -0.336) 2.651 4.894 ( 1.740 -0.838 1.649) 2.540 7.053 ( 8.341 4.228 2.483) 9.675 7.455 ( 7.756 -7.014 0.712) 10.481 7.643 ( -0.891 -0.212 2.864) 3.007 7.849 ( -4.468 -4.110 -3.839) 7.183 8.423 ( -2.591 1.624 0.336) 3.076 8.560 ( -0.462 1.772 -3.391) 3.854 8.566 ( -4.764 1.322 -2.887) 5.725 8.791 ( -6.482 -0.766 -1.078) 6.616 8.861 ( -1.352 2.245 2.304) 3.489 8.987 ( -6.580 0.463 -2.146) 6.936 9.100 ( 0.902 2.973 1.623) 3.505 9.320 ( 0.194 -3.751 2.375) 4.444 9.661 ( -1.257 5.003 2.929) 5.932 9.932 ( -1.894 -3.344 2.076) 4.368 10.352 ( 3.566 3.025 1.292) 4.852 10.642 ( 5.242 -6.458 -4.539) 9.476 10.912 ( 2.804 2.604 0.956) 3.944 11.015 ( 2.321 0.713 -0.206) 2.437 12.881 ( 2.867 4.904 -0.640) 5.717 13.175 ( 3.032 -4.362 0.451) 5.331 14.001 ( -4.429 2.300 0.061) 4.991 14.024 ( -4.377 5.697 1.219) 7.287 14.396 ( -1.785 -3.663 -6.521) 7.690 14.595 ( -12.863 -4.701 -4.745) 14.494 15.393 ( 0.754 1.116 6.726) 6.859 15.773 ( 5.463 -12.143 13.054) 18.646 16.775 ( -4.502 2.014 -0.621) 4.971 16.953 ( -0.376 -2.728 -1.465) 3.119 17.685 ( 11.117 18.246 1.606) 21.426 18.519 ( 13.189 -6.945 -6.246) 16.162 19.395 ( 1.144 0.090 -0.120) 1.153 19.503 ( 1.475 -2.633 -0.522) 3.063 ======================= Grid point 175 (93/144) ======================= q-point: (-0.20 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( -4.094 10.411 8.673) 14.155 1.413 ( -6.086 12.247 15.549) 20.707 1.816 ( -2.133 -1.387 -3.743) 4.526 2.118 ( 0.523 -6.939 12.010) 13.881 2.226 ( -4.139 6.005 -1.393) 7.425 2.432 ( -6.619 10.309 -3.065) 12.628 2.476 ( -8.615 7.996 4.625) 12.631 2.745 ( 1.783 -1.596 3.868) 4.549 2.921 ( -1.544 0.089 3.635) 3.950 2.937 ( -0.026 4.378 -4.127) 6.017 3.110 ( -2.167 -4.508 -2.633) 5.653 3.298 ( -7.308 -2.259 0.487) 7.665 3.335 ( -4.173 -4.699 -0.663) 6.319 3.534 ( -7.419 -5.157 -1.544) 9.167 3.620 ( -1.839 -1.706 2.450) 3.507 3.886 ( -5.454 0.808 -4.103) 6.873 4.002 ( -1.084 -5.679 -0.200) 5.785 4.142 ( -4.730 -0.182 -1.232) 4.891 4.255 ( -0.380 3.515 0.685) 3.601 4.511 ( -3.043 -0.502 -3.004) 4.305 4.829 ( 3.422 2.144 -0.819) 4.120 5.006 ( 9.604 -1.878 2.253) 10.042 7.228 ( 7.918 4.315 2.324) 9.312 7.614 ( 5.429 -5.080 0.676) 7.466 7.636 ( 0.489 -2.766 3.246) 4.292 7.766 ( -1.810 -3.135 -2.740) 4.540 8.312 ( -8.184 2.198 -1.359) 8.582 8.426 ( -7.913 2.816 -2.198) 8.682 8.523 ( -3.028 -3.871 -4.643) 6.761 8.664 ( -4.888 -2.759 -4.835) 7.409 8.851 ( -5.334 2.076 -0.009) 5.723 8.865 ( 1.187 2.070 -0.653) 2.474 9.127 ( 1.048 3.030 0.972) 3.350 9.318 ( -0.661 -3.597 2.149) 4.242 9.624 ( -2.587 3.827 0.420) 4.638 9.887 ( -2.161 -4.410 2.116) 5.348 10.423 ( 2.957 5.198 1.964) 6.294 10.749 ( 5.499 -6.100 -3.141) 8.793 10.978 ( 3.229 1.715 0.115) 3.658 11.069 ( 2.825 0.450 -0.662) 2.936 12.950 ( 3.924 5.964 -1.334) 7.263 13.255 ( 4.614 -3.863 0.736) 6.062 13.903 ( -5.139 2.260 1.907) 5.929 13.935 ( -4.559 3.530 0.807) 5.821 14.241 ( -10.184 -1.453 -5.522) 11.675 14.429 ( -3.775 -6.983 -9.745) 12.569 15.421 ( 1.185 1.041 9.561) 9.691 15.848 ( -0.516 -13.001 12.897) 18.319 16.704 ( -1.793 1.632 -1.941) 3.106 16.940 ( -0.601 -4.822 -1.750) 5.165 17.926 ( 11.480 21.012 3.119) 24.146 18.793 ( 13.263 -6.431 -5.605) 15.769 19.428 ( 2.099 0.939 1.198) 2.593 19.533 ( 1.414 -1.830 -0.038) 2.313 ======================= Grid point 176 (94/144) ======================= q-point: (-0.10 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( -1.902 10.479 9.942) 14.570 1.358 ( -2.937 13.708 18.505) 23.216 1.736 ( -3.359 -2.859 -3.676) 5.742 2.036 ( -9.638 0.379 4.096) 10.479 2.125 ( -2.729 8.194 10.461) 13.566 2.344 ( -1.021 11.811 7.312) 13.929 2.416 ( -0.772 6.243 -0.090) 6.291 2.786 ( 0.913 1.604 0.488) 1.909 2.911 ( -2.256 -0.637 5.831) 6.285 2.951 ( 2.461 3.123 -1.323) 4.191 3.101 ( 1.705 -3.705 -1.525) 4.354 3.127 ( -6.260 -4.545 1.311) 7.846 3.269 ( -2.330 -3.508 -0.314) 4.223 3.403 ( -2.317 -9.157 -3.278) 9.999 3.642 ( 0.952 -0.148 2.908) 3.064 3.716 ( -7.606 3.771 -2.971) 8.994 3.958 ( -3.179 -3.859 -0.749) 5.056 4.051 ( -3.300 -2.159 -4.141) 5.718 4.275 ( 1.069 4.903 1.361) 5.199 4.460 ( -1.905 2.455 1.267) 3.356 4.900 ( 3.131 3.672 0.157) 4.828 5.263 ( 12.663 -4.941 0.068) 13.593 7.365 ( 4.529 4.539 2.211) 6.783 7.624 ( -0.385 -1.881 2.085) 2.834 7.648 ( -1.023 -2.445 -1.146) 2.887 7.844 ( 6.920 -5.957 0.231) 9.133 8.109 ( -9.638 4.387 -4.251) 11.410 8.257 ( -7.954 1.017 0.049) 8.019 8.446 ( -2.798 -5.611 -1.844) 6.535 8.568 ( -3.572 -6.336 -8.675) 11.320 8.776 ( -1.972 4.977 1.432) 5.541 8.914 ( 3.267 0.943 -2.882) 4.457 9.129 ( -1.174 3.943 -1.505) 4.381 9.302 ( -1.253 -3.676 2.761) 4.765 9.566 ( -2.535 2.694 -1.472) 3.982 9.867 ( -0.086 -6.872 1.819) 7.109 10.476 ( 1.895 7.091 2.691) 7.817 10.840 ( 3.350 -5.482 -2.318) 6.830 11.035 ( 2.128 0.899 -0.279) 2.327 11.118 ( 1.868 -0.352 -0.957) 2.128 13.029 ( 3.767 7.298 -2.956) 8.729 13.362 ( 5.423 -3.733 1.474) 6.747 13.783 ( -7.082 2.055 3.722) 8.261 13.848 ( -3.798 0.960 0.068) 3.918 14.078 ( -3.434 0.637 -7.691) 8.447 14.337 ( -3.883 -7.777 -7.645) 11.576 15.494 ( 4.721 -2.865 10.948) 12.262 15.807 ( -4.321 -10.145 11.135) 15.670 16.692 ( 0.454 0.208 -2.579) 2.627 16.928 ( -0.086 -6.842 -2.032) 7.138 18.143 ( 8.673 22.745 3.501) 24.593 18.976 ( 3.759 -5.381 -5.491) 8.558 19.491 ( 3.753 1.430 2.339) 4.648 19.557 ( 0.815 -0.805 0.635) 1.310 ======================= Grid point 177 (95/144) ======================= q-point: ( 0.00 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 4.880 12.410 -0.060) 13.336 1.545 ( -5.033 10.065 11.123) 15.823 1.619 ( 4.070 -8.597 -4.162) 10.383 1.735 ( -8.622 -8.021 6.187) 13.303 2.354 ( 1.353 7.848 8.595) 11.717 2.447 ( 0.416 -1.085 10.550) 10.614 2.593 ( -0.558 10.280 3.221) 10.787 2.762 ( 0.575 -6.199 4.076) 7.441 2.938 ( 1.302 5.058 -2.086) 5.624 2.961 ( -0.784 4.076 -2.629) 4.913 3.085 ( 3.371 -3.425 -1.179) 4.948 3.157 ( 0.395 -2.062 -5.405) 5.799 3.178 ( 5.987 -0.124 1.519) 6.178 3.287 ( 4.917 -6.011 -0.787) 7.806 3.656 ( -1.158 0.639 1.381) 1.913 3.690 ( -3.624 -0.619 -3.609) 5.152 3.864 ( 2.424 3.091 0.207) 3.933 3.960 ( 2.495 -4.649 -0.920) 5.356 4.396 ( -0.497 4.779 4.258) 6.420 4.458 ( -0.880 -1.225 5.567) 5.767 5.062 ( -0.752 8.137 3.278) 8.804 5.239 ( -1.073 -9.076 2.059) 9.368 7.509 ( -0.503 5.454 0.143) 5.479 7.595 ( 1.022 -2.883 -1.905) 3.604 7.681 ( 3.336 3.068 -0.353) 4.547 7.788 ( 1.515 -7.283 0.636) 7.466 8.058 ( -4.262 5.011 -5.912) 8.844 8.140 ( -3.590 -1.885 -5.523) 6.852 8.339 ( 1.284 -1.196 -0.383) 1.796 8.390 ( 0.918 -5.042 -1.366) 5.304 8.866 ( 0.667 4.808 -1.347) 5.038 8.943 ( 1.622 -2.831 -2.896) 4.363 9.179 ( -1.211 3.794 -0.277) 3.992 9.231 ( -0.795 -1.884 2.839) 3.499 9.584 ( -1.184 3.980 -1.075) 4.289 9.700 ( -1.069 -7.678 -0.386) 7.762 10.650 ( 0.718 6.635 1.161) 6.774 10.770 ( 0.446 -5.441 -0.965) 5.544 11.074 ( -0.249 1.177 -0.207) 1.221 11.104 ( -0.682 -1.640 -0.732) 1.921 13.227 ( 0.819 7.216 -3.273) 7.966 13.354 ( 1.271 -5.570 -0.525) 5.737 13.722 ( -2.073 2.086 2.541) 3.886 13.761 ( -2.478 -1.674 1.744) 3.462 14.099 ( 2.571 1.896 -6.973) 7.670 14.161 ( 0.447 -4.286 -5.812) 7.235 15.544 ( 1.702 1.390 7.425) 7.744 15.631 ( 1.885 -6.798 7.860) 10.561 16.727 ( 0.773 2.683 -3.010) 4.106 16.804 ( 0.777 -5.153 -2.722) 5.879 18.630 ( 0.364 14.196 2.123) 14.359 18.840 ( -3.774 -6.981 -0.269) 7.940 19.555 ( 0.275 -0.010 2.189) 2.206 19.558 ( -0.133 -0.300 1.761) 1.791 ======================= Grid point 178 (96/144) ======================= q-point: ( 0.10 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( -4.193 5.230 5.517) 8.682 1.560 ( -6.944 -5.602 1.815) 9.105 1.573 ( 9.083 10.978 2.949) 14.551 1.775 ( 9.236 -7.850 -1.281) 12.189 2.386 ( 0.010 5.729 5.881) 8.210 2.485 ( 1.190 -3.449 8.322) 9.087 2.603 ( 1.198 13.362 3.810) 13.946 2.820 ( 4.552 -8.028 5.966) 10.989 3.013 ( 5.241 6.199 2.143) 8.395 3.020 ( 5.902 8.533 -5.790) 11.882 3.156 ( 3.072 -3.312 1.487) 4.756 3.183 ( 4.766 -3.456 -7.618) 9.627 3.300 ( 5.255 -1.842 0.805) 5.627 3.377 ( 4.016 -7.158 -5.131) 9.679 3.623 ( -0.362 0.731 -1.410) 1.629 3.664 ( 1.581 -2.980 3.457) 4.830 3.998 ( 9.263 3.586 0.740) 9.960 4.063 ( 6.513 -2.241 0.542) 6.909 4.388 ( -0.546 4.454 2.856) 5.320 4.450 ( -0.561 -1.547 4.746) 5.023 4.962 ( -8.745 6.074 1.704) 10.783 5.089 ( -12.517 -6.180 -0.647) 13.975 7.435 ( -6.589 6.806 1.779) 9.639 7.571 ( -4.525 -6.318 0.499) 7.787 7.770 ( 4.738 2.473 -3.058) 6.157 7.833 ( 4.363 -3.529 -1.297) 5.760 8.015 ( 1.255 4.272 -3.274) 5.527 8.108 ( 0.969 -4.456 -6.801) 8.188 8.407 ( 4.771 1.021 0.060) 4.879 8.472 ( 6.017 -4.735 0.599) 7.680 8.891 ( 2.025 4.910 -1.614) 5.551 8.970 ( 1.615 -2.771 -2.948) 4.357 9.151 ( -1.366 4.796 0.172) 4.990 9.223 ( -0.369 -2.195 2.280) 3.186 9.586 ( 1.407 3.215 -0.303) 3.523 9.692 ( 0.293 -7.633 0.429) 7.650 10.634 ( -2.439 6.146 0.814) 6.662 10.739 ( -3.138 -4.469 -1.678) 5.713 11.056 ( -1.403 0.329 0.367) 1.487 11.072 ( -2.214 -1.259 -0.537) 2.603 13.182 ( -4.017 7.152 -2.459) 8.563 13.310 ( -4.490 -5.563 -0.738) 7.187 13.761 ( 4.233 0.688 2.117) 4.782 13.775 ( 3.383 -0.630 2.279) 4.128 14.179 ( 5.491 -0.527 -5.870) 8.055 14.196 ( 3.935 -2.032 -6.728) 8.054 15.589 ( 1.801 3.463 6.228) 7.351 15.721 ( 4.784 -9.793 6.777) 12.834 16.752 ( 2.372 3.058 -2.990) 4.890 16.834 ( 2.623 -5.240 -2.826) 6.505 18.553 ( -8.048 9.372 2.281) 12.563 18.659 ( -13.497 -1.156 1.008) 13.584 19.538 ( -1.875 -0.061 1.391) 2.336 19.543 ( -1.437 -0.628 1.460) 2.142 ======================= Grid point 179 (97/144) ======================= q-point: ( 0.20 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( -5.371 2.365 5.818) 8.264 1.441 ( -4.643 -6.730 0.775) 8.213 1.785 ( 9.774 9.622 0.019) 13.716 1.959 ( 8.061 -6.573 -2.840) 10.782 2.371 ( -1.946 4.775 2.872) 5.902 2.495 ( -0.848 -4.965 3.555) 6.165 2.664 ( 3.709 15.717 4.936) 16.886 2.944 ( 5.460 -10.355 6.217) 13.255 3.096 ( 2.584 2.864 -1.658) 4.199 3.124 ( 3.859 8.671 -3.848) 10.242 3.209 ( 2.070 0.455 -2.788) 3.502 3.340 ( 9.854 -3.941 -4.387) 11.484 3.425 ( 7.886 -3.123 -0.851) 8.525 3.457 ( 5.783 -7.539 -6.190) 11.340 3.695 ( 5.934 1.815 2.899) 6.849 3.746 ( 5.658 -3.159 3.992) 7.611 4.161 ( 4.204 2.961 4.121) 6.590 4.199 ( 6.545 -0.802 2.382) 7.010 4.386 ( -0.176 3.780 -2.468) 4.518 4.435 ( -2.662 -0.738 -2.195) 3.528 4.780 ( -6.922 0.912 1.224) 7.088 4.812 ( -10.788 -2.083 -0.326) 10.992 7.275 ( -8.698 7.497 2.330) 11.717 7.436 ( -7.867 -8.481 1.742) 11.699 7.820 ( 0.837 3.963 -6.136) 7.353 7.903 ( 1.773 -3.412 -3.732) 5.358 8.125 ( 8.706 1.737 0.850) 8.918 8.168 ( 5.709 -2.894 -3.222) 7.166 8.506 ( 4.502 3.496 0.351) 5.711 8.598 ( 5.648 -5.345 0.378) 7.786 8.940 ( 2.882 4.640 -1.975) 5.809 9.008 ( 2.695 -1.228 -3.108) 4.293 9.127 ( -1.118 4.849 2.814) 5.717 9.223 ( -0.008 -3.498 1.905) 3.983 9.636 ( 3.214 2.328 1.119) 4.123 9.713 ( 1.419 -5.628 2.179) 6.199 10.560 ( -4.509 4.836 -0.467) 6.629 10.646 ( -5.293 -3.927 -2.798) 7.160 11.018 ( -2.743 -0.094 0.551) 2.799 11.024 ( -1.925 -0.522 0.787) 2.144 13.087 ( -4.538 6.323 -1.313) 7.893 13.207 ( -4.951 -5.670 -0.534) 7.546 13.864 ( 5.533 1.352 2.036) 6.049 13.883 ( 6.013 -0.433 2.556) 6.548 14.264 ( 4.241 0.637 -5.161) 6.710 14.308 ( 6.818 -3.679 -7.310) 10.652 15.629 ( 0.713 6.179 5.505) 8.307 15.806 ( 1.757 -11.812 5.719) 13.240 16.819 ( 4.440 3.424 -2.514) 6.145 16.903 ( 4.447 -5.009 -2.790) 7.256 18.314 ( -17.558 4.957 4.664) 18.831 18.340 ( -13.818 2.417 -1.417) 14.100 19.495 ( -2.250 0.379 0.456) 2.326 19.510 ( -1.851 -1.105 0.527) 2.220 ======================= Grid point 180 (98/144) ======================= q-point: ( 0.30 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( -3.592 1.593 1.165) 4.099 1.366 ( -2.313 -8.659 -2.587) 9.329 1.936 ( 4.500 6.072 -2.518) 7.966 2.068 ( 2.772 -6.191 -4.789) 8.303 2.328 ( -1.844 7.414 1.553) 7.797 2.494 ( 0.537 -7.745 2.021) 8.023 2.755 ( 4.477 15.916 3.577) 16.916 3.020 ( 1.020 -6.100 3.831) 7.275 3.111 ( -2.943 0.748 -6.005) 6.728 3.157 ( 3.976 -6.474 -2.555) 8.016 3.283 ( 4.347 9.242 -5.539) 11.618 3.487 ( 3.350 -7.429 -3.293) 8.789 3.575 ( 4.878 -0.171 -0.128) 4.883 3.598 ( 7.801 -3.759 -4.314) 9.675 3.799 ( 3.118 3.805 3.505) 6.040 3.881 ( 5.551 -4.401 0.868) 7.137 4.202 ( -0.402 4.200 5.886) 7.242 4.273 ( -1.443 -2.931 3.631) 4.884 4.335 ( -1.560 1.733 -6.281) 6.699 4.357 ( 0.214 -0.357 -4.268) 4.288 4.713 ( 2.454 3.552 1.198) 4.480 4.792 ( 3.906 -4.119 1.056) 5.774 7.105 ( -7.883 7.954 2.418) 11.457 7.277 ( -7.505 -9.224 1.769) 12.023 7.811 ( -0.466 4.350 -5.569) 7.082 7.909 ( 0.119 -4.871 -6.052) 7.770 8.293 ( 6.108 1.224 1.171) 6.339 8.315 ( 8.274 -0.643 1.413) 8.418 8.595 ( 4.320 4.678 0.964) 6.440 8.700 ( 4.389 -5.687 0.264) 7.188 9.001 ( 3.489 4.546 -2.089) 6.100 9.067 ( 3.213 0.611 -2.885) 4.361 9.113 ( -0.865 3.730 5.144) 6.413 9.223 ( -0.383 -4.402 2.354) 5.006 9.706 ( 2.902 1.480 3.037) 4.454 9.750 ( 1.670 -3.087 3.626) 5.046 10.461 ( -4.732 3.210 -1.880) 6.019 10.528 ( -5.238 -3.720 -3.937) 7.535 10.965 ( -2.317 1.075 1.366) 2.897 10.988 ( -1.639 -0.996 1.443) 2.400 13.002 ( -3.537 5.661 -0.719) 6.714 13.116 ( -3.823 -5.769 -0.326) 6.928 13.988 ( 5.954 2.262 2.086) 6.702 14.015 ( 6.205 -0.405 2.166) 6.585 14.338 ( 3.643 3.020 -5.129) 6.978 14.438 ( 6.846 -6.754 -4.823) 10.758 15.623 ( -2.204 7.032 5.052) 8.935 15.797 ( -3.469 -10.558 5.020) 12.194 16.910 ( 4.078 3.550 -1.813) 5.703 16.988 ( 3.504 -4.100 -2.237) 5.839 17.951 ( -16.200 9.235 1.762) 18.731 18.085 ( -10.483 -4.449 -1.611) 11.502 19.451 ( -1.927 0.644 -0.393) 2.070 19.472 ( -1.813 -1.339 -0.122) 2.257 ======================= Grid point 181 (99/144) ======================= q-point: ( 0.40 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 0.762 2.196 -5.687) 6.144 1.358 ( 2.702 -10.458 -7.619) 13.218 1.959 ( -1.329 2.661 -2.336) 3.782 2.055 ( -2.625 -6.592 -4.784) 8.558 2.326 ( 1.262 8.337 0.012) 8.432 2.501 ( -0.643 -8.301 -0.423) 8.337 2.830 ( 0.660 11.246 0.924) 11.303 3.013 ( -2.293 -5.603 0.737) 6.098 3.055 ( 0.522 7.162 -6.610) 9.760 3.229 ( 3.098 -8.820 -6.279) 11.261 3.293 ( -2.681 5.355 -7.288) 9.433 3.440 ( -5.498 -6.451 -7.489) 11.311 3.616 ( 0.844 6.922 1.814) 7.206 3.733 ( 5.191 -4.120 0.714) 6.666 3.845 ( 0.513 2.337 4.490) 5.088 3.933 ( 0.042 -5.445 -0.395) 5.460 4.214 ( 1.183 2.027 2.524) 3.446 4.256 ( 0.700 -1.794 1.340) 2.346 4.385 ( 4.280 0.472 0.854) 4.390 4.402 ( 3.373 -0.830 1.096) 3.642 4.796 ( 3.838 3.686 -0.359) 5.333 4.873 ( 3.033 -3.973 -1.523) 5.225 6.977 ( -4.570 7.999 2.373) 9.513 7.150 ( -4.710 -9.311 1.527) 10.546 7.789 ( -0.896 4.628 -4.527) 6.535 7.897 ( -0.345 -5.831 -6.551) 8.777 8.396 ( 3.841 3.604 1.692) 5.532 8.456 ( 5.096 -1.821 1.534) 5.625 8.684 ( 3.785 4.840 1.164) 6.253 8.783 ( 3.550 -5.100 0.485) 6.232 9.074 ( 3.366 3.413 0.009) 4.793 9.093 ( -0.745 7.138 5.856) 9.263 9.131 ( 2.062 -2.057 -1.716) 3.380 9.215 ( -0.690 -4.763 2.555) 5.449 9.748 ( 0.629 2.132 5.198) 5.654 9.792 ( 1.884 -2.333 3.304) 4.462 10.370 ( -3.552 2.553 -2.959) 5.281 10.437 ( -2.746 -4.258 -4.576) 6.828 10.931 ( -1.295 1.943 2.011) 3.082 10.964 ( -0.893 -1.216 1.779) 2.332 12.943 ( -2.100 5.247 -0.463) 5.671 13.052 ( -2.355 -5.708 -0.240) 6.180 14.100 ( 4.242 2.575 1.205) 5.107 14.130 ( 4.421 -0.462 1.184) 4.600 14.400 ( 3.224 6.465 -3.889) 8.205 14.576 ( 6.928 -10.554 -1.327) 12.694 15.558 ( -4.530 5.785 4.839) 8.798 15.687 ( -7.536 -7.186 4.680) 11.416 16.955 ( 0.359 2.896 -1.314) 3.200 17.016 ( -0.726 -2.857 -1.467) 3.293 17.711 ( -6.441 12.923 -0.491) 14.448 17.942 ( -2.677 -10.300 -3.602) 11.236 19.416 ( -1.394 0.737 -0.851) 1.792 19.439 ( -1.240 -1.508 -0.452) 2.004 ======================= Grid point 182 (100/144) ======================= q-point: (-0.50 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 6.156 5.100 -9.747) 12.605 1.454 ( 7.589 -10.710 -11.076) 17.175 1.897 ( -4.116 1.652 0.128) 4.437 1.980 ( -3.674 -6.501 -2.606) 7.909 2.353 ( 1.069 3.641 -2.012) 4.295 2.458 ( -2.685 -5.941 -4.445) 7.891 2.755 ( -5.605 9.354 -3.687) 11.511 2.947 ( -3.955 -8.673 -0.439) 9.543 3.098 ( 2.457 8.099 -6.471) 10.654 3.206 ( -2.326 6.896 -6.839) 9.987 3.253 ( -0.284 -6.910 -7.263) 10.028 3.352 ( -1.473 -5.932 -2.776) 6.713 3.634 ( 0.612 10.180 2.254) 10.445 3.798 ( -1.098 -0.516 3.481) 3.686 3.818 ( -2.729 -1.528 5.622) 6.434 3.902 ( -2.674 -7.123 0.023) 7.608 4.219 ( -1.580 0.945 1.456) 2.347 4.258 ( -1.424 -2.793 1.713) 3.572 4.460 ( 2.525 1.395 0.761) 2.984 4.488 ( 4.029 -1.224 1.738) 4.556 4.841 ( 0.587 2.648 -0.973) 2.882 4.897 ( -0.324 -2.946 -2.683) 3.998 6.939 ( 0.696 7.524 2.268) 7.889 7.104 ( 0.154 -8.872 1.339) 8.973 7.758 ( -1.518 4.738 -3.478) 6.070 7.871 ( -1.339 -6.323 -6.098) 8.886 8.461 ( 2.337 4.239 1.172) 4.981 8.533 ( 2.379 -2.344 0.290) 3.352 8.735 ( 0.911 5.211 0.403) 5.305 8.834 ( 1.020 -4.568 0.210) 4.685 9.070 ( -2.163 6.177 8.034) 10.362 9.138 ( 1.498 1.600 1.363) 2.581 9.147 ( -0.381 -0.483 -1.609) 1.722 9.207 ( -0.327 -4.609 2.385) 5.200 9.764 ( 0.353 4.013 5.373) 6.716 9.836 ( 1.938 -3.247 3.080) 4.877 10.319 ( -0.686 3.104 -3.257) 4.551 10.404 ( 0.259 -5.365 -4.750) 7.170 10.918 ( -0.225 2.499 2.296) 3.402 10.958 ( 0.029 -1.300 1.846) 2.258 12.917 ( -0.302 5.012 -0.349) 5.033 13.021 ( -0.538 -5.466 -0.157) 5.494 14.151 ( 0.569 2.463 -0.150) 2.532 14.188 ( 0.951 -0.831 0.788) 1.489 14.454 ( 2.106 9.703 -3.177) 10.425 14.693 ( 3.444 -13.636 0.020) 14.064 15.468 ( -4.644 3.486 5.410) 7.936 15.540 ( -6.048 -3.624 5.235) 8.781 16.935 ( -1.614 1.746 -0.913) 2.548 16.973 ( -2.384 -1.902 -1.443) 3.374 17.682 ( 2.998 14.712 -1.705) 15.110 17.956 ( 4.195 -12.611 -4.526) 14.040 19.394 ( -0.597 0.938 -0.837) 1.392 19.423 ( -0.273 -1.878 -0.552) 1.977 ======================= Grid point 183 (101/144) ======================= q-point: (-0.40 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 5.911 8.905 -8.419) 13.606 1.600 ( 7.386 -8.947 -10.322) 15.528 1.808 ( -4.503 4.344 3.879) 7.361 1.920 ( -1.272 -6.491 0.732) 6.655 2.346 ( -1.212 0.198 -5.193) 5.337 2.408 ( -0.742 -5.606 -5.047) 7.579 2.680 ( -0.573 8.037 -1.541) 8.203 2.864 ( -3.859 -9.187 -0.936) 10.008 3.100 ( -0.663 6.565 -4.860) 8.195 3.166 ( -1.772 9.214 -5.927) 11.098 3.233 ( -0.925 -6.380 -3.934) 7.552 3.315 ( -3.158 -5.016 -0.889) 5.994 3.637 ( -1.953 10.668 0.274) 10.849 3.695 ( -6.002 1.490 6.902) 9.267 3.747 ( -5.374 -2.764 6.176) 8.640 3.849 ( -3.786 -9.239 -2.677) 10.338 4.161 ( -3.685 1.145 2.092) 4.390 4.210 ( -2.746 -3.487 3.038) 5.378 4.475 ( -1.350 3.429 -2.023) 4.204 4.543 ( 0.839 -3.393 -1.582) 3.837 4.827 ( -1.217 2.131 -0.125) 2.457 4.869 ( -1.369 -1.974 -0.811) 2.535 7.010 ( 5.643 6.867 2.110) 9.135 7.162 ( 5.145 -8.230 1.346) 9.799 7.717 ( -1.994 4.236 -2.470) 5.293 7.822 ( -2.575 -6.040 -5.134) 8.335 8.493 ( 0.413 3.648 0.238) 3.679 8.556 ( -0.054 -2.352 -0.963) 2.542 8.724 ( -1.796 5.379 -0.649) 5.708 8.821 ( -2.105 -4.270 -1.112) 4.889 9.015 ( -4.367 5.232 4.876) 8.380 9.092 ( -4.520 -2.251 -1.185) 5.187 9.150 ( -0.043 2.956 2.085) 3.618 9.219 ( 0.677 -4.185 4.282) 6.025 9.779 ( 0.079 5.327 4.363) 6.886 9.873 ( 0.706 -3.993 2.878) 4.972 10.337 ( 2.876 3.646 -2.710) 5.377 10.433 ( 3.250 -5.868 -4.613) 8.141 10.930 ( 1.007 2.755 2.152) 3.638 10.972 ( 1.094 -1.355 1.592) 2.359 12.930 ( 1.663 4.974 -0.313) 5.254 13.031 ( 1.525 -5.147 -0.027) 5.368 14.128 ( -2.521 2.791 -0.048) 3.761 14.172 ( -2.558 -0.598 2.031) 3.320 14.455 ( -1.573 8.299 -5.994) 10.357 14.666 ( -6.055 -11.721 -3.288) 13.597 15.416 ( -0.668 3.406 6.854) 7.682 15.501 ( 0.969 -5.187 8.238) 9.783 16.892 ( -2.557 1.780 -0.694) 3.192 16.931 ( -1.629 -1.945 -1.543) 2.970 17.805 ( 8.941 15.555 -1.497) 18.004 18.089 ( 9.445 -12.840 -4.236) 16.493 19.391 ( 0.476 1.243 -0.452) 1.405 19.427 ( 0.779 -2.275 -0.392) 2.436 ======================= Grid point 184 (102/144) ======================= q-point: (-0.30 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( -0.041 12.430 -3.165) 12.826 1.687 ( 1.405 -8.236 -3.923) 9.230 1.742 ( -2.212 8.856 5.918) 10.879 1.936 ( 1.168 -8.045 6.996) 10.725 2.333 ( 1.990 3.945 -5.096) 6.745 2.428 ( 3.039 -5.335 -1.951) 6.442 2.680 ( -0.785 2.539 -0.998) 2.838 2.773 ( -5.323 -5.118 -1.816) 7.604 3.062 ( -3.044 5.287 -3.805) 7.190 3.097 ( -4.603 4.959 -3.286) 7.522 3.159 ( -5.464 2.253 0.022) 5.910 3.253 ( -1.444 -5.712 -0.929) 5.964 3.509 ( -8.133 4.952 1.424) 9.628 3.640 ( -2.231 2.212 4.205) 5.249 3.668 ( -7.494 -8.733 -0.294) 11.511 3.720 ( -2.716 -4.828 1.358) 5.704 4.096 ( -3.078 3.302 2.955) 5.395 4.174 ( -1.982 -3.988 3.188) 5.477 4.406 ( -3.860 5.279 -3.864) 7.596 4.510 ( -2.881 -4.997 -4.304) 7.197 4.823 ( 1.218 2.449 0.912) 2.883 4.867 ( 1.529 -1.872 1.812) 3.021 7.160 ( 8.266 6.501 1.995) 10.704 7.304 ( 8.096 -7.784 1.506) 11.332 7.672 ( -1.942 3.069 -1.619) 3.976 7.755 ( -3.079 -4.899 -4.061) 7.069 8.469 ( -2.968 2.820 -0.015) 4.095 8.523 ( -2.986 -2.448 -1.525) 4.151 8.660 ( -4.539 4.750 -3.455) 7.423 8.741 ( -5.570 -3.416 -3.618) 7.469 8.927 ( -3.516 3.305 1.256) 4.987 8.977 ( -5.659 -1.544 -1.315) 6.012 9.162 ( 0.665 3.326 3.939) 5.198 9.237 ( 0.335 -4.233 4.559) 6.230 9.766 ( -2.009 5.296 2.481) 6.183 9.861 ( -2.213 -4.111 1.953) 5.061 10.419 ( 5.060 4.117 -1.605) 6.718 10.518 ( 5.442 -5.797 -3.686) 8.764 10.966 ( 2.257 2.638 1.524) 3.791 11.008 ( 2.167 -1.356 1.030) 2.756 12.983 ( 3.446 5.180 -0.460) 6.239 13.083 ( 3.457 -4.884 0.035) 5.984 14.056 ( -4.491 3.068 1.509) 5.644 14.096 ( -5.123 0.301 3.468) 6.194 14.375 ( -4.772 2.738 -9.393) 10.885 14.481 ( -9.674 -6.421 -7.318) 13.725 15.444 ( 1.408 4.243 8.060) 9.217 15.568 ( 2.980 -8.357 10.255) 13.560 16.827 ( -3.503 3.085 -1.217) 4.824 16.892 ( -2.057 -3.321 -1.660) 4.245 18.033 ( 12.982 16.433 -0.086) 20.942 18.323 ( 13.540 -12.593 -3.014) 18.735 19.412 ( 1.613 1.602 0.232) 2.285 19.453 ( 1.741 -2.369 0.015) 2.940 ======================= Grid point 185 (103/144) ======================= q-point: (-0.20 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( -2.757 14.410 -0.687) 14.687 1.662 ( -2.583 1.353 5.008) 5.795 1.714 ( -2.900 1.754 5.021) 6.058 1.941 ( -2.426 -10.600 14.343) 17.999 2.380 ( 0.100 7.829 0.072) 7.830 2.489 ( 1.309 -2.128 0.304) 2.517 2.628 ( -3.440 4.495 -1.810) 5.942 2.690 ( 0.849 -2.895 0.575) 3.071 2.957 ( -4.374 2.414 -1.255) 5.151 3.001 ( -3.157 -2.658 -4.004) 5.750 3.088 ( -2.059 6.576 -0.950) 6.956 3.223 ( -1.569 -5.875 -1.620) 6.293 3.320 ( -10.584 4.308 0.026) 11.427 3.429 ( -12.156 -5.372 -1.787) 13.409 3.626 ( 0.797 3.218 5.200) 6.167 3.770 ( 3.040 -9.959 -0.109) 10.413 4.009 ( -6.097 4.662 0.203) 7.678 4.098 ( -5.510 -3.723 -0.685) 6.685 4.361 ( 0.154 5.976 0.882) 6.042 4.465 ( -0.655 -4.066 0.068) 4.119 4.884 ( 4.533 3.320 1.240) 5.754 4.952 ( 6.819 -3.340 2.610) 8.029 7.336 ( 8.138 6.514 1.860) 10.588 7.478 ( 7.942 -7.463 1.390) 10.986 7.636 ( -1.295 1.823 -1.036) 2.465 7.694 ( -1.866 -3.689 -2.946) 5.077 8.367 ( -6.852 3.323 -0.874) 7.666 8.438 ( -4.865 -3.538 -1.552) 6.212 8.507 ( -9.240 3.988 -5.734) 11.583 8.593 ( -7.482 -4.195 -6.233) 10.603 8.890 ( -2.306 1.428 -0.191) 2.719 8.896 ( -0.003 0.783 -0.718) 1.062 9.183 ( 0.699 2.810 3.206) 4.320 9.245 ( -0.161 -3.523 3.946) 5.293 9.709 ( -3.566 4.607 0.428) 5.842 9.800 ( -3.464 -4.512 0.708) 5.732 10.522 ( 4.811 5.071 -0.458) 7.005 10.630 ( 5.550 -5.831 -2.283) 8.368 11.020 ( 2.551 2.274 0.619) 3.473 11.058 ( 2.450 -1.395 0.281) 2.833 13.067 ( 4.758 5.612 -1.013) 7.427 13.169 ( 4.901 -4.749 -0.089) 6.826 13.954 ( -5.793 2.521 3.336) 7.145 13.981 ( -6.506 0.467 3.417) 7.363 14.233 ( -7.021 1.365 -9.352) 11.774 14.303 ( -5.797 -5.342 -10.263) 12.941 15.478 ( 0.564 4.933 8.798) 10.102 15.621 ( 0.359 -9.492 10.047) 13.826 16.760 ( -2.445 3.724 -2.062) 4.909 16.844 ( -2.061 -4.685 -2.109) 5.536 18.308 ( 12.974 17.266 1.412) 21.643 18.604 ( 13.169 -12.461 -1.696) 18.209 19.457 ( 2.645 1.857 1.152) 3.431 19.496 ( 2.258 -1.932 0.641) 3.041 ======================= Grid point 186 (104/144) ======================= q-point: (-0.10 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( -1.694 13.912 0.400) 14.021 1.609 ( -2.302 -8.851 -3.205) 9.691 1.637 ( -5.276 12.531 14.598) 19.949 1.880 ( -5.888 -10.900 11.085) 16.623 2.340 ( -1.853 9.514 5.952) 11.374 2.454 ( -2.605 -0.742 6.814) 7.333 2.609 ( -0.732 9.429 0.872) 9.498 2.745 ( 1.722 -4.610 2.534) 5.535 2.933 ( 0.937 2.002 -2.957) 3.692 2.997 ( 3.946 -4.368 -6.532) 8.793 3.048 ( -3.045 4.876 -1.585) 5.963 3.122 ( -4.935 3.337 2.695) 6.539 3.192 ( -2.207 -5.216 -2.469) 6.178 3.241 ( -3.339 -5.953 0.051) 6.826 3.658 ( 0.787 3.813 3.659) 5.343 3.772 ( -2.800 -3.928 -4.222) 6.410 3.890 ( -4.103 2.351 0.025) 4.729 3.984 ( -4.224 -4.644 -2.647) 6.813 4.385 ( 0.973 5.393 3.858) 6.702 4.464 ( -0.325 -2.089 4.194) 4.697 4.998 ( 5.414 6.184 2.724) 8.658 5.136 ( 8.965 -7.299 3.434) 12.060 7.472 ( 4.187 6.009 0.840) 7.372 7.580 ( 1.340 -4.295 -1.461) 4.731 7.630 ( 1.317 2.129 -0.243) 2.515 7.714 ( 4.451 -6.169 0.131) 7.608 8.200 ( -8.198 4.833 -4.520) 10.535 8.284 ( -8.979 -1.463 -4.950) 10.357 8.363 ( -3.414 0.213 -0.672) 3.486 8.446 ( -5.208 -5.832 -5.286) 9.438 8.864 ( -0.386 3.715 -0.546) 3.774 8.914 ( 1.510 -1.153 -2.225) 2.926 9.193 ( -0.166 2.671 1.341) 2.993 9.242 ( -0.650 -2.515 3.221) 4.138 9.634 ( -3.320 4.293 -0.900) 5.501 9.737 ( -2.509 -6.015 -0.172) 6.520 10.606 ( 3.272 6.165 0.563) 7.002 10.726 ( 3.785 -5.946 -1.184) 7.148 11.063 ( 1.424 1.833 -0.109) 2.323 11.099 ( 1.263 -1.557 -0.384) 2.041 13.166 ( 4.767 6.271 -2.177) 8.172 13.276 ( 5.245 -4.912 -0.286) 7.191 13.826 ( -7.023 2.001 3.568) 8.127 13.853 ( -5.989 -0.572 1.870) 6.300 14.111 ( -2.792 2.926 -8.412) 9.334 14.199 ( -3.020 -5.862 -8.053) 10.408 15.503 ( 0.832 3.480 8.601) 9.316 15.621 ( -1.262 -8.106 8.949) 12.140 16.727 ( -0.443 3.109 -2.708) 4.147 16.809 ( -0.870 -5.118 -2.511) 5.767 18.535 ( 8.238 16.853 2.055) 18.871 18.812 ( 6.404 -11.122 -1.056) 12.877 19.518 ( 2.689 1.202 2.010) 3.566 19.539 ( 1.617 -0.981 1.382) 2.342 ======================= Grid point 217 (105/144) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( -1.821 0.000 11.107) 11.255 1.423 ( -3.764 0.000 17.713) 18.108 1.673 ( 2.052 0.000 -5.133) 5.528 1.764 ( 2.819 0.000 -11.168) 11.518 2.010 ( -0.838 0.000 2.639) 2.769 2.026 ( 3.567 0.000 7.446) 8.256 2.501 ( 0.815 0.000 -4.024) 4.105 2.631 ( 1.045 0.000 4.023) 4.157 3.022 ( -3.483 0.000 3.755) 5.122 3.191 ( 3.035 0.000 -3.623) 4.727 3.206 ( 2.393 0.000 -1.245) 2.698 3.271 ( -2.409 0.000 2.191) 3.257 3.483 ( 3.306 0.000 14.329) 14.705 3.655 ( -1.011 0.000 -0.975) 1.405 3.678 ( -3.702 0.000 8.976) 9.710 3.783 ( 2.306 0.000 4.553) 5.103 3.907 ( 0.884 0.000 0.023) 0.884 3.988 ( 2.431 0.000 -12.371) 12.607 4.087 ( 2.459 0.000 -0.374) 2.487 4.143 ( -2.209 0.000 -1.094) 2.465 4.820 ( 0.278 0.000 3.277) 3.289 5.064 ( -3.033 0.000 -17.348) 17.611 7.386 ( -1.104 0.000 2.487) 2.721 7.686 ( 0.424 0.000 0.005) 0.424 7.756 ( -1.345 0.000 0.397) 1.403 7.995 ( 2.578 0.000 2.483) 3.580 8.065 ( 0.347 0.000 7.111) 7.120 8.213 ( -4.040 0.000 -1.343) 4.258 8.480 ( 1.215 0.000 -8.661) 8.746 8.557 ( 0.869 0.000 -2.503) 2.649 8.676 ( -1.107 0.000 4.218) 4.360 8.818 ( 1.946 0.000 -3.284) 3.817 8.882 ( -0.943 0.000 -2.271) 2.459 9.349 ( -0.723 0.000 -1.872) 2.006 9.479 ( -0.275 0.000 -0.048) 0.280 10.152 ( 0.980 0.000 -0.196) 0.999 10.390 ( 0.390 0.000 3.419) 3.442 10.899 ( -0.455 0.000 -1.951) 2.003 11.020 ( -0.739 0.000 -0.239) 0.776 11.162 ( 0.624 0.000 -0.614) 0.875 12.852 ( 0.121 0.000 0.158) 0.199 13.631 ( -4.682 0.000 6.893) 8.332 13.707 ( 3.111 0.000 1.081) 3.293 13.791 ( -0.064 0.000 -0.159) 0.171 13.865 ( 3.734 0.000 -9.665) 10.361 14.369 ( -1.266 0.000 -1.059) 1.650 16.099 ( -12.219 0.000 7.161) 14.163 16.227 ( 17.800 0.000 -4.996) 18.488 17.080 ( 1.830 0.000 3.112) 3.610 17.162 ( 0.409 0.000 3.660) 3.683 17.256 ( -0.431 0.000 -3.973) 3.996 18.741 ( -7.007 0.000 -0.046) 7.007 19.547 ( 0.689 0.000 0.069) 0.693 19.582 ( 0.279 0.000 -0.013) 0.280 ======================= Grid point 218 (106/144) ======================= q-point: ( 0.10 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( 4.281 0.000 11.101) 11.898 1.448 ( 2.482 0.000 17.204) 17.382 1.720 ( 3.360 0.000 -5.043) 6.060 1.836 ( 4.968 0.000 -10.819) 11.905 2.020 ( 1.671 0.000 1.238) 2.080 2.182 ( 10.299 0.000 1.122) 10.360 2.543 ( 3.583 0.000 -4.150) 5.482 2.690 ( 3.117 0.000 1.345) 3.395 2.934 ( -3.943 0.000 3.404) 5.209 3.264 ( 2.662 0.000 -1.180) 2.912 3.274 ( 5.737 0.000 -2.173) 6.135 3.318 ( 6.735 0.000 2.208) 7.088 3.589 ( 4.655 0.000 5.299) 7.054 3.614 ( -2.978 0.000 0.407) 3.006 3.699 ( 1.713 0.000 8.476) 8.647 3.828 ( 4.280 0.000 -0.347) 4.295 3.951 ( 3.444 0.000 -0.922) 3.565 4.017 ( -4.223 0.000 -1.874) 4.620 4.055 ( 4.213 0.000 -11.506) 12.253 4.221 ( 5.241 0.000 0.067) 5.241 4.784 ( -4.221 0.000 3.646) 5.578 4.901 ( -8.357 0.000 -9.917) 12.968 7.302 ( -7.089 0.000 3.568) 7.936 7.693 ( 1.789 0.000 -0.196) 1.799 7.870 ( 9.632 0.000 2.224) 9.885 8.013 ( -3.969 0.000 -4.344) 5.884 8.057 ( -1.498 0.000 11.169) 11.269 8.140 ( -0.300 0.000 0.493) 0.577 8.479 ( 0.321 0.000 -8.540) 8.546 8.645 ( 6.805 0.000 -2.461) 7.236 8.681 ( 0.742 0.000 2.459) 2.568 8.830 ( -0.197 0.000 3.716) 3.722 8.906 ( 3.456 0.000 -7.297) 8.074 9.338 ( -0.754 0.000 0.869) 1.150 9.496 ( 2.371 0.000 -0.170) 2.377 10.144 ( -1.718 0.000 -0.901) 1.939 10.400 ( 0.149 0.000 2.329) 2.333 10.881 ( -1.065 0.000 -0.962) 1.435 10.977 ( -3.273 0.000 0.606) 3.329 11.121 ( -4.148 0.000 -1.674) 4.473 12.842 ( -1.067 0.000 -0.099) 1.072 13.489 ( -6.151 0.000 2.573) 6.667 13.800 ( 0.943 0.000 -0.008) 0.943 13.802 ( 3.323 0.000 1.486) 3.640 14.046 ( 13.623 0.000 -8.909) 16.277 14.345 ( -0.774 0.000 0.961) 1.234 15.870 ( -10.071 0.000 3.787) 10.760 16.536 ( 11.695 0.000 -8.675) 14.561 17.143 ( 4.038 0.000 -4.263) 5.872 17.158 ( -1.289 0.000 3.340) 3.580 17.219 ( -2.443 0.000 -3.551) 4.310 18.505 ( -15.732 0.000 13.007) 20.413 19.524 ( -2.235 0.000 -1.024) 2.459 19.582 ( -0.430 0.000 -0.325) 0.539 ======================= Grid point 219 (107/144) ======================= q-point: ( 0.20 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 8.475 0.000 10.871) 13.784 1.526 ( 2.145 0.000 13.820) 13.985 1.797 ( 4.572 0.000 -1.944) 4.969 1.914 ( 4.324 0.000 -12.030) 12.783 2.084 ( 4.837 0.000 -3.308) 5.860 2.402 ( 9.731 0.000 0.664) 9.754 2.619 ( 4.052 0.000 -3.749) 5.520 2.675 ( -5.785 0.000 5.820) 8.206 2.954 ( 5.943 0.000 -4.952) 7.736 3.312 ( -0.061 0.000 1.069) 1.071 3.414 ( 5.865 0.000 -8.884) 10.646 3.488 ( 9.075 0.000 -1.053) 9.136 3.547 ( -2.319 0.000 1.164) 2.595 3.567 ( -5.780 0.000 -2.124) 6.158 3.797 ( 8.673 0.000 4.488) 9.765 3.937 ( -1.818 0.000 -0.835) 2.001 3.989 ( 8.981 0.000 0.590) 9.000 4.071 ( 7.058 0.000 -0.352) 7.066 4.076 ( -0.714 0.000 -7.395) 7.430 4.319 ( 4.389 0.000 -1.151) 4.537 4.671 ( -5.207 0.000 -1.375) 5.386 4.809 ( 0.376 0.000 1.956) 1.992 7.134 ( -9.303 0.000 4.089) 10.162 7.761 ( 4.576 0.000 0.389) 4.593 7.861 ( -8.699 0.000 -2.821) 9.145 8.018 ( -3.248 0.000 8.224) 8.843 8.101 ( 11.335 0.000 3.737) 11.935 8.188 ( 2.877 0.000 -1.051) 3.063 8.481 ( 1.231 0.000 -5.356) 5.496 8.715 ( 2.709 0.000 1.268) 2.991 8.789 ( 7.104 0.000 -2.916) 7.679 8.843 ( 0.961 0.000 5.149) 5.238 8.971 ( 3.500 0.000 -6.427) 7.318 9.312 ( -1.849 0.000 2.421) 3.046 9.576 ( 4.942 0.000 -0.482) 4.966 10.086 ( -3.618 0.000 1.176) 3.804 10.405 ( 0.106 0.000 1.598) 1.601 10.854 ( -1.439 0.000 -0.296) 1.469 10.896 ( -4.606 0.000 0.113) 4.607 11.008 ( -5.851 0.000 -2.796) 6.484 12.812 ( -1.749 0.000 -0.328) 1.779 13.394 ( -3.542 0.000 0.266) 3.552 13.826 ( 1.455 0.000 0.124) 1.460 13.878 ( 4.208 0.000 -0.363) 4.224 14.309 ( 6.912 0.000 -0.302) 6.918 14.372 ( 8.979 0.000 -3.449) 9.618 15.705 ( -6.710 0.000 1.989) 6.998 16.682 ( 4.166 0.000 -2.681) 4.954 17.122 ( -2.563 0.000 2.399) 3.510 17.149 ( -4.526 0.000 -14.194) 14.898 17.152 ( -3.468 0.000 -2.495) 4.272 18.219 ( -12.071 0.000 17.678) 21.406 19.470 ( -2.612 0.000 -1.448) 2.987 19.564 ( -1.233 0.000 -0.172) 1.245 ======================= Grid point 220 (108/144) ======================= q-point: ( 0.30 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 2.372 0.000 7.363) 7.736 1.692 ( 9.131 0.000 10.329) 13.787 1.894 ( 4.677 0.000 1.915) 5.054 1.980 ( 4.258 0.000 -14.478) 15.091 2.207 ( 7.905 0.000 -7.019) 10.572 2.522 ( -8.053 0.000 7.334) 10.892 2.550 ( 3.022 0.000 2.584) 3.977 2.690 ( 3.433 0.000 -3.627) 4.994 3.048 ( -0.715 0.000 -11.615) 11.637 3.203 ( -9.532 0.000 -1.801) 9.701 3.253 ( -8.722 0.000 -10.467) 13.624 3.549 ( 0.833 0.000 1.717) 1.909 3.654 ( 6.211 0.000 1.465) 6.382 3.669 ( 9.177 0.000 -3.720) 9.902 3.970 ( -1.502 0.000 -11.408) 11.506 3.971 ( 6.109 0.000 -0.599) 6.138 4.015 ( 7.087 0.000 10.083) 12.324 4.204 ( 9.466 0.000 2.108) 9.698 4.212 ( 5.480 0.000 0.423) 5.496 4.401 ( 4.061 0.000 -2.618) 4.831 4.621 ( 0.134 0.000 2.004) 2.008 4.863 ( 3.273 0.000 -1.032) 3.432 6.955 ( -8.261 0.000 4.276) 9.302 7.676 ( -8.536 0.000 -2.564) 8.913 7.872 ( 5.948 0.000 1.666) 6.177 7.960 ( -3.463 0.000 7.539) 8.297 8.226 ( 1.245 0.000 -4.564) 4.731 8.299 ( 6.700 0.000 3.311) 7.474 8.517 ( 2.541 0.000 -1.064) 2.755 8.808 ( 6.127 0.000 1.318) 6.267 8.889 ( 2.856 0.000 4.496) 5.327 8.913 ( 5.319 0.000 -3.260) 6.238 9.017 ( 1.660 0.000 -3.078) 3.497 9.278 ( -1.622 0.000 2.012) 2.584 9.674 ( 4.368 0.000 -0.981) 4.477 10.005 ( -4.642 0.000 3.457) 5.788 10.410 ( 0.118 0.000 1.635) 1.639 10.791 ( -5.183 0.000 -0.705) 5.231 10.824 ( -1.349 0.000 -0.338) 1.391 10.901 ( -3.930 0.000 -3.113) 5.014 12.775 ( -1.725 0.000 -0.438) 1.780 13.335 ( -2.389 0.000 -0.895) 2.551 13.856 ( 1.348 0.000 0.188) 1.361 13.972 ( 4.939 0.000 -1.344) 5.118 14.340 ( 0.122 0.000 1.955) 1.959 14.683 ( 17.782 0.000 -2.419) 17.946 15.588 ( -5.181 0.000 1.718) 5.458 16.648 ( -12.480 0.000 2.472) 12.722 16.965 ( -4.614 0.000 -10.640) 11.597 17.066 ( -2.984 0.000 0.159) 2.989 17.080 ( -3.047 0.000 -0.170) 3.051 18.105 ( -2.063 0.000 8.220) 8.475 19.420 ( -1.912 0.000 -1.476) 2.415 19.534 ( -1.544 0.000 0.083) 1.546 ======================= Grid point 221 (109/144) ======================= q-point: ( 0.40 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 2.992 0.000 4.314) 5.250 1.863 ( 5.505 0.000 9.192) 10.715 1.983 ( 3.334 0.000 2.518) 4.178 2.042 ( 3.736 0.000 -16.180) 16.606 2.371 ( -6.162 0.000 4.141) 7.424 2.382 ( 9.872 0.000 -4.958) 11.047 2.548 ( -4.481 0.000 -3.976) 5.990 2.749 ( 2.996 0.000 -4.823) 5.678 2.843 ( -8.793 0.000 -3.877) 9.610 2.963 ( -12.862 0.000 -2.175) 13.045 3.218 ( 0.366 0.000 -6.521) 6.531 3.540 ( -1.480 0.000 -0.141) 1.486 3.764 ( 4.368 0.000 4.641) 6.373 3.803 ( 3.747 0.000 -3.196) 4.925 3.891 ( -2.480 0.000 -4.422) 5.070 4.144 ( 8.909 0.000 -0.720) 8.938 4.209 ( 7.718 0.000 6.375) 10.010 4.272 ( 0.764 0.000 -0.564) 0.950 4.382 ( 7.199 0.000 1.900) 7.446 4.468 ( 2.131 0.000 -2.597) 3.359 4.654 ( 2.213 0.000 0.856) 2.373 4.901 ( 0.465 0.000 -3.776) 3.805 6.828 ( -4.395 0.000 3.852) 5.844 7.521 ( -5.852 0.000 -2.094) 6.215 7.906 ( -2.822 0.000 7.592) 8.100 7.995 ( 5.154 0.000 2.662) 5.801 8.236 ( 1.013 0.000 -7.170) 7.241 8.384 ( 1.751 0.000 0.809) 1.929 8.569 ( 2.154 0.000 1.283) 2.507 8.940 ( 4.890 0.000 3.524) 6.027 8.967 ( 3.708 0.000 2.935) 4.728 8.990 ( 2.557 0.000 -3.205) 4.101 9.036 ( 0.895 0.000 -0.936) 1.295 9.258 ( -0.414 0.000 0.884) 0.976 9.740 ( 1.901 0.000 -0.131) 1.905 9.913 ( -4.219 0.000 2.487) 4.898 10.413 ( -0.273 0.000 2.468) 2.483 10.708 ( -2.433 0.000 -0.459) 2.476 10.803 ( -0.507 0.000 -1.115) 1.225 10.832 ( -2.485 0.000 -2.670) 3.648 12.744 ( -1.100 0.000 -0.390) 1.167 13.291 ( -1.668 0.000 -0.959) 1.924 13.879 ( 0.806 0.000 0.170) 0.824 14.062 ( 3.616 0.000 -1.834) 4.054 14.338 ( -0.319 0.000 0.991) 1.041 15.077 ( 20.502 0.000 1.052) 20.529 15.498 ( -3.688 0.000 2.131) 4.260 16.210 ( -25.435 0.000 0.402) 25.438 16.972 ( 2.345 0.000 -0.996) 2.548 17.011 ( -2.156 0.000 -0.422) 2.197 17.032 ( -1.552 0.000 0.426) 1.609 18.110 ( 1.255 0.000 -0.632) 1.405 19.388 ( -1.025 0.000 -1.315) 1.667 19.507 ( -0.967 0.000 0.004) 0.967 ======================= Grid point 222 (110/144) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( -0.775 0.000 10.548) 10.576 1.941 ( 0.975 0.000 7.625) 7.687 2.019 ( -0.555 0.000 1.854) 1.935 2.023 ( -4.899 0.000 -18.441) 19.081 2.290 ( -1.099 0.000 0.013) 1.099 2.482 ( 3.615 0.000 -7.515) 8.339 2.570 ( 7.268 0.000 0.657) 7.298 2.666 ( -13.132 0.000 -6.519) 14.661 2.783 ( 1.172 0.000 2.160) 2.458 2.831 ( 4.478 0.000 -2.368) 5.065 3.179 ( -3.440 0.000 -2.197) 4.082 3.516 ( -0.400 0.000 -0.146) 0.426 3.807 ( -2.968 0.000 1.438) 3.298 3.833 ( 1.111 0.000 3.733) 3.895 3.850 ( -1.704 0.000 -0.651) 1.824 4.250 ( 0.198 0.000 -1.285) 1.300 4.283 ( 1.044 0.000 -1.754) 2.042 4.303 ( -0.288 0.000 5.668) 5.676 4.465 ( -1.699 0.000 -0.537) 1.782 4.501 ( 4.478 0.000 -2.409) 5.085 4.692 ( 0.715 0.000 -0.793) 1.068 4.880 ( -1.103 0.000 -3.855) 4.009 6.797 ( 0.902 0.000 2.423) 2.585 7.447 ( -0.752 0.000 -1.026) 1.272 7.873 ( -1.536 0.000 8.129) 8.273 8.067 ( 0.941 0.000 1.958) 2.173 8.253 ( 1.982 0.000 -8.880) 9.098 8.398 ( 0.093 0.000 -0.660) 0.666 8.598 ( 0.340 0.000 1.539) 1.576 8.993 ( 0.589 0.000 5.648) 5.678 9.004 ( -1.057 0.000 1.359) 1.721 9.006 ( -0.510 0.000 -2.513) 2.565 9.062 ( 0.545 0.000 -0.995) 1.134 9.270 ( 1.529 0.000 -1.284) 1.996 9.725 ( -3.422 0.000 5.260) 6.275 9.899 ( 3.376 0.000 -3.414) 4.802 10.405 ( -0.965 0.000 3.626) 3.752 10.688 ( 0.210 0.000 -0.256) 0.331 10.792 ( -0.942 0.000 -1.294) 1.600 10.803 ( 0.810 0.000 -2.176) 2.322 12.731 ( -0.116 0.000 -0.204) 0.235 13.266 ( -0.580 0.000 -0.150) 0.599 13.888 ( 0.059 0.000 0.080) 0.099 14.094 ( -0.514 0.000 -1.198) 1.304 14.346 ( 1.280 0.000 -0.837) 1.529 15.432 ( 2.140 0.000 2.168) 3.047 15.455 ( -0.402 0.000 2.928) 2.955 15.780 ( -4.890 0.000 2.814) 5.642 16.982 ( -0.609 0.000 0.367) 0.711 16.989 ( -1.466 0.000 2.087) 2.550 17.023 ( 0.667 0.000 -0.425) 0.791 18.147 ( 2.915 0.000 -5.593) 6.307 19.374 ( -0.212 0.000 -0.864) 0.890 19.500 ( 0.355 0.000 -0.542) 0.648 ======================= Grid point 223 (111/144) ======================= q-point: (-0.40 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( -6.514 0.000 17.036) 18.239 1.877 ( -3.312 0.000 -14.248) 14.627 1.922 ( -4.317 0.000 5.703) 7.152 1.970 ( -4.301 0.000 4.013) 5.882 2.352 ( 5.798 0.000 5.012) 7.664 2.374 ( -12.580 0.000 -6.585) 14.200 2.623 ( 8.737 0.000 -11.765) 14.655 2.662 ( 0.932 0.000 1.900) 2.116 2.853 ( 4.721 0.000 -1.926) 5.099 2.980 ( 9.554 0.000 -1.683) 9.701 3.072 ( -6.774 0.000 6.428) 9.338 3.528 ( 1.349 0.000 0.521) 1.446 3.701 ( -7.591 0.000 6.193) 9.796 3.805 ( -4.234 0.000 1.160) 4.390 3.815 ( -1.304 0.000 1.588) 2.055 4.185 ( -7.253 0.000 -4.451) 8.510 4.225 ( -7.048 0.000 4.210) 8.210 4.260 ( -0.844 0.000 -0.330) 0.907 4.423 ( -2.923 0.000 2.156) 3.632 4.523 ( -2.936 0.000 -9.959) 10.383 4.676 ( -0.486 0.000 -1.068) 1.174 4.873 ( 0.469 0.000 -0.940) 1.050 6.867 ( 5.497 0.000 0.569) 5.526 7.489 ( 4.712 0.000 0.428) 4.731 7.870 ( -0.095 0.000 8.902) 8.903 8.028 ( -4.633 0.000 -0.151) 4.636 8.290 ( 2.975 0.000 -10.250) 10.673 8.398 ( -0.117 0.000 -0.832) 0.840 8.584 ( -1.914 0.000 0.621) 2.012 8.931 ( -6.079 0.000 3.108) 6.827 8.963 ( -3.324 0.000 -1.277) 3.561 9.010 ( 0.243 0.000 3.426) 3.435 9.023 ( -3.433 0.000 -2.416) 4.197 9.301 ( 1.524 0.000 -3.155) 3.504 9.671 ( -2.363 0.000 5.298) 5.801 9.989 ( 4.789 0.000 -3.424) 5.887 10.387 ( -1.297 0.000 4.480) 4.664 10.712 ( 2.458 0.000 -0.888) 2.614 10.797 ( 1.557 0.000 0.491) 1.632 10.827 ( 1.787 0.000 -2.938) 3.438 12.739 ( 0.912 0.000 0.050) 0.913 13.270 ( 0.908 0.000 0.886) 1.269 13.881 ( -0.707 0.000 -0.050) 0.708 14.044 ( -3.821 0.000 -0.238) 3.828 14.383 ( 2.246 0.000 -2.962) 3.717 15.084 ( -22.293 0.000 0.372) 22.296 15.476 ( 2.079 0.000 3.884) 4.405 16.120 ( 22.467 0.000 8.983) 24.197 16.910 ( -6.469 0.000 3.268) 7.248 16.988 ( 1.046 0.000 1.162) 1.564 17.058 ( 2.757 0.000 -1.333) 3.062 18.221 ( 5.710 0.000 -9.452) 11.043 19.378 ( 0.719 0.000 -0.332) 0.792 19.517 ( 1.308 0.000 -1.002) 1.648 ======================= Grid point 224 (112/144) ======================= q-point: (-0.30 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( -4.755 0.000 21.333) 21.857 1.790 ( -9.610 0.000 10.834) 14.482 1.845 ( -7.694 0.000 -1.139) 7.778 1.850 ( 1.382 0.000 -12.956) 13.029 2.169 ( -6.005 0.000 -5.552) 8.178 2.489 ( 3.207 0.000 8.863) 9.425 2.647 ( -2.065 0.000 0.085) 2.066 2.673 ( -5.493 0.000 -0.609) 5.527 2.887 ( 2.238 0.000 -2.671) 3.485 3.057 ( 4.586 0.000 6.610) 8.045 3.173 ( 8.267 0.000 1.689) 8.438 3.533 ( -9.115 0.000 8.206) 12.264 3.555 ( 0.782 0.000 0.701) 1.050 3.675 ( -8.012 0.000 -0.432) 8.024 3.804 ( -1.159 0.000 2.665) 2.907 4.020 ( -6.178 0.000 -5.096) 8.008 4.074 ( -6.896 0.000 4.380) 8.169 4.211 ( -5.241 0.000 0.364) 5.254 4.355 ( -3.065 0.000 1.809) 3.559 4.371 ( -8.444 0.000 -12.890) 15.409 4.685 ( 1.107 0.000 -3.170) 3.358 4.879 ( 0.554 0.000 -1.735) 1.821 7.011 ( 8.227 0.000 -0.444) 8.239 7.626 ( 7.975 0.000 1.529) 8.120 7.894 ( 0.970 0.000 9.649) 9.698 7.903 ( -6.712 0.000 -1.013) 6.788 8.336 ( 2.855 0.000 -11.197) 11.556 8.360 ( -4.541 0.000 -2.448) 5.159 8.527 ( -3.373 0.000 -0.690) 3.443 8.800 ( -5.665 0.000 2.492) 6.189 8.871 ( -5.499 0.000 -0.084) 5.500 8.932 ( -4.817 0.000 -0.970) 4.914 9.010 ( -0.993 0.000 -0.125) 1.001 9.325 ( 1.596 0.000 -2.689) 3.127 9.629 ( -2.730 0.000 3.036) 4.083 10.059 ( 2.220 0.000 -1.298) 2.572 10.370 ( -0.952 0.000 4.858) 4.950 10.796 ( 5.903 0.000 -1.191) 6.022 10.854 ( 3.774 0.000 1.050) 3.917 10.861 ( 1.936 0.000 -3.258) 3.790 12.766 ( 1.655 0.000 0.276) 1.678 13.307 ( 2.516 0.000 1.487) 2.922 13.860 ( -1.298 0.000 -0.179) 1.310 13.955 ( -4.546 0.000 0.160) 4.548 14.414 ( 1.051 0.000 -4.450) 4.573 14.651 ( -19.614 0.000 0.189) 19.615 15.545 ( 3.813 0.000 5.565) 6.746 16.563 ( 16.649 0.000 15.636) 22.840 16.757 ( -7.277 0.000 1.518) 7.434 17.025 ( 2.252 0.000 2.009) 3.018 17.124 ( 3.826 0.000 -2.294) 4.461 18.361 ( 9.962 0.000 -13.466) 16.750 19.402 ( 1.600 0.000 0.258) 1.620 19.544 ( 1.290 0.000 -0.906) 1.576 ======================= Grid point 225 (113/144) ======================= q-point: (-0.20 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( -0.704 0.000 23.055) 23.065 1.572 ( -12.048 0.000 11.660) 16.766 1.713 ( -4.340 0.000 -3.622) 5.653 1.846 ( -0.534 0.000 -14.574) 14.584 2.083 ( -2.629 0.000 -2.122) 3.379 2.296 ( -17.071 0.000 10.770) 20.185 2.589 ( -3.188 0.000 -1.236) 3.419 2.659 ( 0.350 0.000 9.806) 9.813 2.965 ( 3.928 0.000 -6.452) 7.554 3.164 ( 3.504 0.000 10.472) 11.043 3.272 ( -0.177 0.000 3.047) 3.052 3.402 ( -3.747 0.000 11.133) 11.747 3.495 ( -7.583 0.000 1.293) 7.692 3.584 ( 2.147 0.000 -3.313) 3.948 3.731 ( -5.137 0.000 3.187) 6.045 3.956 ( 0.308 0.000 -2.833) 2.849 3.973 ( -5.804 0.000 5.249) 7.825 4.062 ( -7.995 0.000 0.509) 8.011 4.184 ( -7.142 0.000 -13.734) 15.480 4.303 ( -2.769 0.000 0.375) 2.795 4.713 ( 2.475 0.000 -3.941) 4.654 4.923 ( 5.145 0.000 -6.731) 8.472 7.186 ( 8.442 0.000 -0.278) 8.446 7.773 ( -5.456 0.000 -0.655) 5.496 7.801 ( 8.290 0.000 1.960) 8.518 7.936 ( 1.569 0.000 10.074) 10.196 8.177 ( -12.088 0.000 -3.529) 12.593 8.349 ( -0.859 0.000 -9.022) 9.063 8.469 ( -1.031 0.000 -4.094) 4.222 8.745 ( -6.592 0.000 0.296) 6.599 8.746 ( -0.139 0.000 -0.195) 0.240 8.828 ( -5.315 0.000 3.366) 6.291 8.972 ( -2.069 0.000 -3.872) 4.389 9.360 ( 1.858 0.000 -2.265) 2.929 9.563 ( -3.771 0.000 0.693) 3.834 10.087 ( 0.999 0.000 1.213) 1.571 10.366 ( -0.199 0.000 4.819) 4.823 10.891 ( 1.335 0.000 -3.211) 3.478 10.924 ( 5.358 0.000 -2.192) 5.789 10.957 ( 6.635 0.000 1.698) 6.849 12.804 ( 1.825 0.000 0.389) 1.866 13.380 ( 4.481 0.000 1.514) 4.730 13.830 ( -1.477 0.000 -0.260) 1.500 13.870 ( -3.630 0.000 0.342) 3.646 14.270 ( -16.825 0.000 1.673) 16.908 14.419 ( -0.602 0.000 -6.562) 6.589 15.660 ( 7.110 0.000 6.385) 9.556 16.546 ( -9.992 0.000 10.652) 14.604 16.899 ( 9.862 0.000 8.262) 12.865 17.080 ( 2.570 0.000 2.841) 3.831 17.197 ( 3.459 0.000 -3.199) 4.711 18.578 ( 12.549 0.000 -15.556) 19.986 19.443 ( 2.275 0.000 1.156) 2.551 19.564 ( 0.765 0.000 -0.299) 0.821 ======================= Grid point 226 (114/144) ======================= q-point: (-0.10 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( -8.065 0.000 10.954) 13.603 1.513 ( -5.052 0.000 18.639) 19.312 1.660 ( -0.404 0.000 -3.851) 3.872 1.781 ( -2.470 0.000 -12.399) 12.643 2.037 ( -1.908 0.000 0.775) 2.060 2.039 ( -7.540 0.000 13.887) 15.802 2.525 ( -2.364 0.000 -2.712) 3.598 2.642 ( -2.179 0.000 5.578) 5.988 3.022 ( 2.499 0.000 -1.620) 2.978 3.183 ( -1.460 0.000 2.151) 2.599 3.216 ( -3.055 0.000 0.915) 3.189 3.360 ( -5.850 0.000 0.904) 5.919 3.422 ( 1.027 0.000 17.889) 17.918 3.644 ( 2.641 0.000 -2.577) 3.690 3.701 ( 2.473 0.000 6.774) 7.211 3.816 ( -9.075 0.000 5.049) 10.384 3.932 ( -3.978 0.000 0.925) 4.084 4.000 ( 3.806 0.000 -0.591) 3.852 4.038 ( -4.830 0.000 -12.381) 13.290 4.232 ( -4.169 0.000 -0.944) 4.275 4.774 ( 3.404 0.000 -1.311) 3.648 5.045 ( 6.430 0.000 -14.191) 15.580 7.335 ( 5.455 0.000 0.856) 5.522 7.691 ( -2.163 0.000 -0.052) 2.164 7.913 ( -11.699 0.000 -1.998) 11.869 7.936 ( 3.665 0.000 3.268) 4.910 8.002 ( 3.789 0.000 8.351) 9.171 8.286 ( -3.200 0.000 -4.486) 5.511 8.468 ( 1.117 0.000 -7.828) 7.907 8.616 ( -5.362 0.000 -0.912) 5.439 8.722 ( -3.578 0.000 2.025) 4.112 8.780 ( 1.428 0.000 0.727) 1.602 8.923 ( -2.032 0.000 -4.252) 4.713 9.373 ( -0.571 0.000 -2.685) 2.745 9.499 ( -1.941 0.000 -0.337) 1.970 10.117 ( 1.782 0.000 1.759) 2.503 10.375 ( 0.371 0.000 4.341) 4.357 10.904 ( 0.394 0.000 -2.779) 2.807 11.002 ( 2.626 0.000 -1.412) 2.981 11.096 ( 5.594 0.000 0.450) 5.612 12.837 ( 1.263 0.000 0.344) 1.309 13.502 ( 7.372 0.000 1.591) 7.542 13.803 ( -1.039 0.000 -0.257) 1.070 13.808 ( -3.212 0.000 2.195) 3.890 13.957 ( -12.487 0.000 -2.040) 12.653 14.395 ( -0.935 0.000 -4.187) 4.291 15.880 ( 13.990 0.000 3.244) 14.361 16.342 ( -11.616 0.000 9.430) 14.962 17.034 ( 2.914 0.000 6.370) 7.005 17.132 ( 1.876 0.000 3.458) 3.934 17.247 ( 1.822 0.000 -3.825) 4.237 18.763 ( 5.801 0.000 -11.661) 13.024 19.500 ( 2.976 0.000 1.475) 3.321 19.575 ( 0.407 0.000 0.201) 0.454 ======================= Grid point 227 (115/144) ======================= q-point: ( 0.00 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( -0.461 2.894 14.715) 15.005 1.547 ( -1.870 8.628 13.391) 16.039 1.612 ( 2.466 -2.452 -6.123) 7.042 1.856 ( -2.326 2.854 -6.773) 7.709 1.977 ( 1.477 4.098 0.439) 4.378 2.109 ( 1.814 6.485 1.523) 6.904 2.567 ( 1.028 5.882 -3.080) 6.719 2.653 ( 0.820 1.642 5.635) 5.926 3.001 ( -2.791 -1.873 2.792) 4.369 3.139 ( 1.720 -3.215 -0.353) 3.663 3.209 ( 2.363 -3.908 3.126) 5.534 3.251 ( -0.782 -0.074 -1.848) 2.008 3.449 ( 4.980 -5.146 10.187) 12.452 3.505 ( -3.484 -9.835 2.722) 10.783 3.648 ( -1.468 -0.023 2.932) 3.279 3.773 ( 2.393 -0.918 4.907) 5.536 3.860 ( 2.053 -5.883 -11.940) 13.468 3.989 ( 0.114 1.789 1.080) 2.093 4.175 ( -0.997 6.955 1.009) 7.098 4.302 ( 0.649 11.492 -1.157) 11.569 4.870 ( 0.716 4.549 4.395) 6.366 5.112 ( -3.216 4.116 -16.328) 17.143 7.400 ( -1.034 1.408 2.243) 2.843 7.662 ( -0.193 -2.402 -0.181) 2.416 7.740 ( 0.039 -1.574 1.260) 2.017 7.986 ( 2.039 -0.969 2.316) 3.234 8.035 ( 0.786 -2.742 4.143) 5.030 8.170 ( -4.140 -3.788 -1.804) 5.894 8.433 ( 0.590 -3.996 -6.188) 7.390 8.522 ( 1.281 -2.975 -1.744) 3.679 8.712 ( -0.987 3.189 3.280) 4.680 8.865 ( 3.156 2.743 -4.262) 5.970 8.915 ( -2.432 4.089 -1.165) 4.899 9.352 ( -0.750 -0.046 -0.778) 1.082 9.462 ( -0.070 -0.990 -0.720) 1.226 10.074 ( 0.671 -7.308 0.107) 7.340 10.450 ( 0.321 5.373 2.946) 6.136 10.873 ( -0.599 -2.368 -1.943) 3.122 11.038 ( -0.314 1.441 -0.102) 1.478 11.146 ( 0.428 -1.493 -0.597) 1.664 12.898 ( 0.132 4.467 -0.317) 4.480 13.597 ( -1.853 -3.579 4.719) 6.206 13.712 ( 0.634 0.606 1.303) 1.571 13.793 ( -0.493 0.405 0.493) 0.806 13.880 ( 3.510 1.296 -8.274) 9.081 14.330 ( -1.036 -3.806 -0.776) 4.020 15.990 ( -7.606 -12.666 4.549) 15.459 16.103 ( 12.241 -8.729 0.407) 15.040 16.728 ( -0.831 -10.175 0.077) 10.209 17.088 ( 0.761 -9.182 -0.609) 9.233 17.795 ( 1.679 30.845 1.071) 30.909 18.799 ( -5.943 4.582 -0.613) 7.530 19.555 ( 0.552 0.740 0.085) 0.927 19.582 ( 0.251 0.084 0.137) 0.298 ======================= Grid point 228 (116/144) ======================= q-point: ( 0.10 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 6.796 5.518 12.250) 15.056 1.558 ( 0.107 9.855 14.728) 17.722 1.678 ( 3.853 -3.329 -8.426) 9.845 1.805 ( -0.609 -3.548 -3.056) 4.722 2.052 ( 5.104 5.194 -2.569) 7.722 2.224 ( 8.713 4.780 -0.761) 9.967 2.612 ( 3.533 5.611 -3.674) 7.580 2.695 ( 1.222 0.198 3.460) 3.675 2.933 ( -2.062 0.098 1.613) 2.620 3.192 ( 3.279 -5.308 3.983) 7.402 3.255 ( 3.561 -1.970 -2.758) 4.916 3.338 ( 7.170 -0.745 -1.508) 7.364 3.499 ( 0.573 -4.797 -0.935) 4.921 3.536 ( 1.240 -10.195 2.800) 10.645 3.661 ( 4.893 -0.524 7.364) 8.856 3.803 ( 1.452 -0.954 -0.843) 1.931 3.938 ( 4.737 -2.061 -10.880) 12.044 4.038 ( 4.054 1.186 0.829) 4.305 4.152 ( -0.530 7.359 1.504) 7.530 4.320 ( 0.689 8.819 -1.495) 8.971 4.836 ( -4.749 4.407 4.327) 7.791 4.936 ( -9.381 3.183 -9.312) 13.596 7.317 ( -6.928 1.670 3.251) 7.833 7.665 ( 1.462 -2.484 0.066) 2.883 7.858 ( 8.962 -1.475 1.680) 9.237 7.981 ( -4.597 -3.376 -3.369) 6.624 8.037 ( -0.698 -1.734 7.459) 7.690 8.123 ( 1.664 -1.365 0.246) 2.166 8.437 ( 0.835 -3.299 -5.482) 6.452 8.610 ( 6.412 -3.036 -2.645) 7.572 8.716 ( 0.883 3.087 1.894) 3.728 8.878 ( -1.037 3.809 2.841) 4.864 8.931 ( 3.987 2.654 -6.185) 7.823 9.337 ( -0.994 -0.308 1.398) 1.743 9.491 ( 3.098 -0.144 -0.703) 3.180 10.070 ( -1.070 -6.946 -0.325) 7.035 10.450 ( -0.651 4.538 2.029) 5.013 10.840 ( -2.458 -3.185 -0.611) 4.069 11.011 ( -2.047 2.388 0.015) 3.145 11.109 ( -3.663 -1.136 -1.301) 4.050 12.884 ( -1.352 4.092 -0.429) 4.331 13.473 ( -6.220 -1.763 1.811) 6.714 13.796 ( 1.980 -0.288 0.637) 2.100 13.812 ( 3.212 0.868 1.862) 3.813 14.038 ( 12.390 -0.746 -8.622) 15.113 14.313 ( -0.431 -3.166 0.795) 3.293 15.804 ( -8.132 -6.078 2.986) 10.583 16.420 ( 15.173 -15.712 -6.270) 22.725 16.696 ( -2.345 -9.646 1.397) 10.025 17.091 ( -0.227 -8.585 -1.959) 8.808 17.787 ( -2.484 29.162 -3.179) 29.440 18.584 ( -14.866 6.421 10.681) 19.399 19.529 ( -2.374 0.468 -0.869) 2.571 19.580 ( -0.698 -0.227 -0.173) 0.754 ======================= Grid point 229 (117/144) ======================= q-point: ( 0.20 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( -2.394 4.056 13.827) 14.607 1.607 ( 9.399 8.027 8.998) 15.288 1.710 ( 0.849 -7.385 -2.965) 8.003 1.866 ( 6.994 -2.930 -7.918) 10.963 2.149 ( 4.419 6.126 -4.711) 8.902 2.420 ( 9.286 2.819 0.158) 9.705 2.619 ( -5.898 -3.449 3.999) 7.916 2.710 ( 3.083 5.595 -1.537) 6.571 2.987 ( 6.502 2.532 -4.908) 8.531 3.250 ( -1.394 -5.244 1.330) 5.587 3.362 ( 6.537 -4.651 -5.517) 9.737 3.413 ( -0.505 -5.012 -4.244) 6.587 3.504 ( 4.959 -1.949 -2.153) 5.747 3.667 ( 8.484 -7.334 0.822) 11.244 3.703 ( -1.415 6.308 1.971) 6.758 3.908 ( 8.065 -5.463 1.729) 9.893 3.998 ( 2.970 1.555 -9.361) 9.943 4.095 ( 1.765 5.910 0.284) 6.175 4.188 ( 2.568 4.055 -0.128) 4.801 4.327 ( 1.314 2.392 -0.044) 2.729 4.693 ( -6.324 2.043 -1.386) 6.789 4.836 ( -0.312 2.186 2.942) 3.678 7.152 ( -9.188 1.910 3.746) 10.104 7.706 ( 1.045 -4.530 1.099) 4.777 7.834 ( -6.016 -3.204 -2.398) 7.225 7.988 ( -0.896 -3.056 2.108) 3.819 8.118 ( 10.120 1.454 3.819) 10.914 8.192 ( 3.600 0.379 0.953) 3.743 8.458 ( 2.067 -1.496 -2.830) 3.811 8.724 ( 4.146 -0.840 -1.703) 4.560 8.771 ( 5.019 0.131 -0.643) 5.062 8.884 ( 1.048 3.453 3.691) 5.162 9.001 ( 3.486 2.802 -4.710) 6.496 9.313 ( -1.451 -0.004 2.279) 2.702 9.579 ( 5.186 0.504 -0.424) 5.228 10.035 ( -2.232 -4.888 1.435) 5.562 10.433 ( -1.186 2.481 1.242) 3.017 10.770 ( -4.331 -5.018 -0.054) 6.628 10.965 ( -2.186 3.341 -0.768) 4.066 11.010 ( -5.135 0.447 -1.586) 5.392 12.847 ( -2.079 3.406 -0.482) 4.019 13.371 ( -4.022 -2.377 -0.097) 4.673 13.838 ( 2.385 1.239 0.770) 2.795 13.890 ( 4.177 1.267 0.084) 4.366 14.284 ( 6.832 -2.437 -0.785) 7.296 14.345 ( 8.639 -2.705 -3.299) 9.635 15.674 ( -5.253 -2.617 1.541) 6.067 16.601 ( -3.057 -23.690 0.039) 23.887 16.692 ( 7.728 -0.793 -5.408) 9.466 17.076 ( -0.770 -5.849 -2.924) 6.584 17.664 ( -9.466 24.199 -6.392) 26.759 18.292 ( -13.440 6.074 15.624) 21.486 19.472 ( -2.759 0.235 -1.319) 3.067 19.556 ( -1.445 -0.716 -0.144) 1.619 ======================= Grid point 230 (118/144) ======================= q-point: ( 0.30 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( -2.415 -3.928 8.856) 9.985 1.718 ( 1.665 -7.389 -0.439) 7.587 1.822 ( 8.491 3.287 4.431) 10.126 2.028 ( 9.281 -1.259 -7.242) 11.839 2.218 ( 3.757 5.878 -7.627) 10.336 2.466 ( -8.364 -5.055 8.050) 12.661 2.570 ( 4.713 2.691 -0.305) 5.436 2.767 ( 2.066 5.272 -2.491) 6.186 3.083 ( -8.457 -1.115 -6.777) 10.894 3.103 ( -0.097 -2.044 -7.725) 7.991 3.335 ( -5.990 4.381 -8.493) 11.278 3.491 ( 2.663 -5.870 -1.546) 6.629 3.572 ( 5.029 -3.870 2.689) 6.892 3.751 ( 5.748 4.415 -1.378) 7.378 3.867 ( 10.019 -5.459 -0.858) 11.442 3.986 ( -2.136 -1.406 -6.796) 7.261 4.100 ( 7.305 -2.989 0.732) 7.926 4.125 ( 3.930 6.030 5.662) 9.157 4.285 ( 6.861 2.329 0.129) 7.247 4.382 ( 3.107 -1.528 -1.629) 3.826 4.639 ( 0.521 1.769 2.358) 2.993 4.875 ( 2.600 0.827 -0.259) 2.741 6.974 ( -8.228 2.015 3.894) 9.323 7.614 ( -7.689 -5.676 -0.924) 9.602 7.820 ( 2.123 -3.976 1.987) 4.925 7.962 ( -0.786 -1.580 0.169) 1.773 8.240 ( 2.090 1.909 -0.621) 2.897 8.320 ( 6.847 1.805 3.066) 7.716 8.515 ( 3.366 0.253 0.105) 3.377 8.818 ( 5.853 0.108 -0.738) 5.901 8.875 ( 4.585 -1.423 -0.555) 4.833 8.935 ( 3.399 3.044 2.609) 5.256 9.050 ( 1.658 2.838 -2.007) 3.851 9.289 ( -1.162 0.788 1.770) 2.259 9.682 ( 4.479 0.785 -0.699) 4.601 9.983 ( -3.351 -2.209 3.572) 5.373 10.410 ( -1.122 -0.000 0.887) 1.431 10.671 ( -4.771 -6.752 -0.788) 8.305 10.913 ( -3.715 1.489 -1.669) 4.336 10.924 ( -1.753 4.577 -0.717) 4.954 12.803 ( -1.979 2.811 -0.487) 3.472 13.301 ( -2.843 -3.248 -0.931) 4.416 13.891 ( 2.466 3.314 0.820) 4.212 13.982 ( 4.721 1.116 -1.126) 4.980 14.319 ( 0.399 -2.055 1.399) 2.518 14.642 ( 16.928 -4.149 -2.120) 17.557 15.579 ( -4.429 -0.578 1.265) 4.642 16.435 ( -12.582 -17.166 0.520) 21.290 16.840 ( 6.358 -2.516 -3.470) 7.668 17.051 ( -1.150 -2.223 -3.172) 4.040 17.402 ( -13.422 19.055 -2.043) 23.397 18.131 ( -4.517 2.082 8.057) 9.469 19.420 ( -2.059 -0.013 -1.375) 2.476 19.524 ( -1.632 -1.016 -0.003) 1.923 ======================= Grid point 231 (119/144) ======================= q-point: ( 0.40 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( -0.091 -11.261 5.367) 12.475 1.760 ( 2.317 -9.958 -0.327) 10.229 1.947 ( 2.874 -0.922 -0.126) 3.021 2.182 ( 4.785 4.859 -8.574) 10.956 2.289 ( 2.481 -6.430 -2.605) 7.368 2.372 ( 1.687 3.574 5.500) 6.773 2.569 ( -5.056 1.030 -6.016) 7.926 2.785 ( 0.450 4.486 -3.732) 5.853 2.855 ( -9.022 -3.654 -1.513) 9.851 3.017 ( -6.001 8.709 -6.879) 12.617 3.265 ( -1.053 2.593 -3.628) 4.582 3.492 ( -1.343 -4.525 -1.800) 5.052 3.684 ( 4.439 -4.461 3.194) 7.057 3.841 ( 2.049 1.231 -2.185) 3.239 3.916 ( -1.668 1.486 -2.417) 3.291 4.063 ( 7.710 -6.620 1.093) 10.221 4.215 ( 3.569 -1.617 -0.108) 3.920 4.267 ( 7.434 2.518 3.364) 8.539 4.415 ( 3.725 1.267 1.124) 4.092 4.434 ( 3.138 -2.536 -1.612) 4.345 4.684 ( 2.800 2.586 1.036) 3.950 4.904 ( 0.152 0.138 -3.037) 3.044 6.846 ( -4.475 1.911 3.469) 5.976 7.469 ( -5.581 -4.946 -1.293) 7.569 7.841 ( -0.838 -4.776 5.877) 7.620 7.975 ( 1.863 -3.246 -2.936) 4.757 8.278 ( 1.999 4.032 -0.809) 4.572 8.411 ( 2.192 2.510 0.289) 3.344 8.578 ( 2.424 1.206 1.226) 2.972 8.929 ( 3.751 -2.660 -1.678) 4.895 8.972 ( 4.930 1.711 2.416) 5.750 9.011 ( 3.070 2.476 2.461) 4.649 9.066 ( 0.354 2.661 -0.654) 2.763 9.275 ( -0.280 1.297 0.718) 1.508 9.750 ( 2.076 1.021 -0.045) 2.314 9.911 ( -3.624 -0.205 2.815) 4.593 10.388 ( -1.268 -2.184 1.605) 2.992 10.596 ( -1.970 -7.447 -1.571) 7.861 10.851 ( -2.163 2.602 -0.661) 3.447 10.897 ( -0.801 4.830 -1.123) 5.024 12.769 ( -1.238 2.424 -0.396) 2.750 13.250 ( -1.883 -3.804 -0.862) 4.332 13.936 ( 1.654 5.349 0.629) 5.634 14.068 ( 3.406 0.717 -1.734) 3.888 14.322 ( -0.098 -1.607 0.624) 1.727 15.011 ( 18.581 -6.755 1.381) 19.819 15.499 ( -3.282 0.439 1.590) 3.673 16.093 ( -19.820 -9.566 0.109) 22.008 16.934 ( 2.793 -2.083 0.108) 3.486 17.024 ( -0.963 -0.048 -2.856) 3.014 17.187 ( -6.527 13.020 1.079) 14.604 18.098 ( 0.093 -1.400 -0.015) 1.403 19.385 ( -1.135 -0.237 -1.213) 1.678 19.495 ( -1.016 -1.147 -0.060) 1.534 ======================= Grid point 232 (120/144) ======================= q-point: (-0.50 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 0.016 -14.027 6.605) 15.504 1.795 ( 0.377 -9.927 -0.829) 9.969 1.962 ( -1.116 -3.191 -2.229) 4.049 2.134 ( -5.052 -0.110 -5.855) 7.734 2.318 ( -0.276 3.770 0.687) 3.842 2.476 ( 1.372 -1.755 -4.301) 4.843 2.532 ( 8.033 -2.542 1.682) 8.592 2.648 ( -7.975 1.627 -7.376) 10.984 2.817 ( 1.230 2.609 -1.577) 3.287 2.951 ( 0.028 11.618 -1.454) 11.709 3.226 ( -2.286 2.081 -0.654) 3.159 3.464 ( -0.784 -4.471 -1.136) 4.679 3.737 ( -0.509 -4.625 3.548) 5.851 3.831 ( -1.612 -1.156 0.203) 1.994 3.896 ( -1.420 3.249 1.715) 3.938 4.157 ( 1.087 -7.625 0.092) 7.702 4.249 ( -0.330 -0.277 -0.305) 0.528 4.376 ( 0.096 3.185 2.260) 3.906 4.414 ( -0.470 -3.871 -1.607) 4.218 4.513 ( 3.206 0.459 -1.076) 3.413 4.731 ( 0.879 3.143 -0.322) 3.279 4.880 ( -1.150 -0.077 -3.372) 3.564 6.812 ( 0.817 1.675 2.156) 2.850 7.401 ( -0.574 -4.494 -0.633) 4.574 7.827 ( -1.128 -3.922 6.968) 8.075 7.997 ( 0.195 -5.809 -3.718) 6.899 8.320 ( 2.062 5.138 -1.478) 5.730 8.430 ( 0.158 3.028 -1.905) 3.581 8.609 ( 0.254 1.280 1.230) 1.794 8.962 ( -0.156 -2.639 -1.490) 3.035 9.035 ( -0.035 3.401 6.517) 7.351 9.041 ( -0.401 2.184 -0.799) 2.360 9.077 ( 0.322 1.492 -0.640) 1.655 9.285 ( 1.299 1.198 -1.046) 2.054 9.743 ( -2.925 1.800 4.575) 5.720 9.899 ( 2.998 -0.033 -2.554) 3.939 10.367 ( -1.020 -3.264 2.917) 4.495 10.582 ( 0.588 -7.450 -2.212) 7.794 10.822 ( -0.588 3.206 0.245) 3.269 10.889 ( 0.274 4.923 -1.223) 5.080 12.754 ( -0.107 2.296 -0.208) 2.308 13.224 ( -0.525 -3.904 -0.104) 3.941 13.956 ( 0.214 6.443 0.269) 6.452 14.098 ( -0.480 0.536 -1.192) 1.393 14.330 ( 1.135 -1.544 -0.945) 2.137 15.305 ( 2.330 -11.974 1.909) 12.347 15.464 ( -1.207 1.269 2.706) 3.223 15.757 ( -4.096 -2.260 2.705) 5.404 16.959 ( 0.059 -1.715 1.742) 2.446 16.990 ( -2.221 -0.445 -0.696) 2.369 17.137 ( 0.713 10.622 0.266) 10.649 18.124 ( 2.879 -2.419 -4.974) 6.235 19.369 ( -0.237 -0.346 -0.752) 0.861 19.486 ( 0.256 -1.286 -0.453) 1.387 ======================= Grid point 233 (121/144) ======================= q-point: (-0.40 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( -1.022 -10.714 11.205) 15.536 1.745 ( -3.385 -4.848 -5.977) 8.408 1.899 ( -3.705 -4.988 2.696) 6.774 2.056 ( -4.539 2.851 2.538) 5.931 2.308 ( 0.737 -3.548 -0.321) 3.638 2.406 ( -5.836 3.686 -3.489) 7.734 2.630 ( 5.821 1.927 -9.950) 11.688 2.704 ( 6.071 1.293 2.157) 6.571 2.855 ( 4.038 -2.441 -0.460) 4.741 2.960 ( -1.228 5.635 -0.526) 5.791 3.190 ( -0.646 6.575 3.247) 7.361 3.456 ( -0.233 -5.358 1.334) 5.526 3.675 ( -5.183 -4.141 4.121) 7.810 3.772 ( -4.918 0.665 3.291) 5.955 3.871 ( -0.854 1.974 1.792) 2.799 4.098 ( -6.727 -6.497 -1.351) 9.450 4.213 ( -2.780 -2.929 -0.250) 4.046 4.283 ( -5.981 3.032 -0.184) 6.708 4.402 ( -2.619 -1.808 1.778) 3.645 4.531 ( -2.022 0.188 -7.898) 8.155 4.707 ( -1.495 2.703 -1.201) 3.314 4.878 ( 0.821 0.453 -0.490) 1.058 6.881 ( 5.490 1.559 0.480) 5.727 7.447 ( 4.821 -4.210 0.479) 6.418 7.824 ( -0.235 -4.007 7.861) 8.826 7.961 ( -3.208 -5.647 -3.299) 7.285 8.350 ( 1.370 4.731 -5.014) 7.029 8.424 ( -0.385 2.588 -2.112) 3.363 8.590 ( -2.220 0.902 0.536) 2.456 8.916 ( -4.306 -1.861 -0.567) 4.725 8.970 ( -5.144 1.220 2.082) 5.682 9.036 ( -3.381 1.124 -1.445) 3.844 9.055 ( 0.130 3.839 2.488) 4.577 9.313 ( 1.353 0.909 -2.580) 3.052 9.693 ( -2.376 2.224 4.507) 5.559 9.978 ( 3.993 -1.005 -2.534) 4.835 10.360 ( -0.088 -2.310 3.642) 4.314 10.611 ( 2.806 -7.148 -2.587) 8.103 10.830 ( 1.267 3.142 1.035) 3.542 10.904 ( 1.393 4.632 -1.475) 5.057 12.764 ( 1.073 2.458 0.012) 2.682 13.231 ( 1.152 -3.629 0.832) 3.898 13.945 ( -1.298 6.022 -0.165) 6.163 14.051 ( -3.609 0.801 -0.235) 3.704 14.360 ( 1.764 -2.209 -2.811) 3.986 15.028 ( -20.301 -5.830 -0.287) 21.123 15.470 ( 1.882 -0.172 3.965) 4.392 16.008 ( 17.496 -9.294 8.115) 21.408 16.903 ( -5.854 -0.608 2.780) 6.509 16.977 ( 0.758 -1.206 0.650) 1.565 17.200 ( 5.599 12.614 -0.374) 13.806 18.207 ( 6.437 -1.672 -8.790) 11.022 19.374 ( 0.770 -0.298 -0.176) 0.844 19.502 ( 1.244 -1.435 -0.763) 2.047 ======================= Grid point 234 (122/144) ======================= q-point: (-0.30 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( -3.053 -5.042 17.417) 18.388 1.709 ( -1.883 -1.593 1.183) 2.735 1.808 ( -4.188 -1.675 1.887) 4.890 1.945 ( -4.936 2.065 -4.012) 6.687 2.228 ( -5.250 7.305 -8.521) 12.391 2.440 ( 3.825 -4.079 9.432) 10.965 2.685 ( -0.549 1.710 -4.821) 5.145 2.736 ( -4.174 5.749 -0.064) 7.105 2.889 ( -1.567 0.328 3.912) 4.227 3.002 ( 7.872 -4.839 3.288) 9.808 3.215 ( 1.359 3.384 3.308) 4.923 3.438 ( -2.645 -5.140 3.446) 6.730 3.572 ( -4.888 -3.622 2.963) 6.767 3.666 ( -4.979 2.613 4.636) 7.288 3.831 ( -5.416 -1.167 -0.014) 5.540 3.945 ( -5.515 -2.442 -0.774) 6.081 4.106 ( -6.347 -1.685 -0.562) 6.591 4.205 ( -2.123 1.316 0.536) 2.555 4.309 ( -6.481 -1.595 -0.837) 6.727 4.427 ( -4.662 2.416 -8.113) 9.664 4.701 ( 0.798 1.582 -2.788) 3.304 4.893 ( 0.966 1.075 -1.270) 1.924 7.026 ( 8.225 1.554 -0.442) 8.382 7.584 ( 7.978 -4.113 1.269) 9.065 7.839 ( 0.061 -4.619 7.995) 9.234 7.866 ( -4.767 -3.723 -1.480) 6.227 8.359 ( -0.887 1.952 -6.311) 6.665 8.387 ( -2.720 2.544 -5.357) 6.525 8.525 ( -3.922 0.108 -0.148) 3.926 8.796 ( -6.185 -0.970 0.689) 6.298 8.865 ( -5.025 0.241 0.730) 5.084 8.946 ( -4.736 1.045 -0.579) 4.884 9.054 ( -0.813 4.030 0.157) 4.114 9.332 ( 1.096 0.426 -2.348) 2.626 9.647 ( -3.023 1.791 2.492) 4.308 10.028 ( 1.033 -2.773 -0.425) 2.990 10.375 ( 0.925 0.348 3.511) 3.647 10.694 ( 5.491 -6.597 -2.475) 8.933 10.877 ( 3.055 2.268 1.015) 3.938 10.941 ( 2.494 4.288 -1.585) 5.208 12.796 ( 1.938 2.879 0.160) 3.474 13.273 ( 2.823 -3.150 1.411) 4.459 13.907 ( -2.246 4.441 -0.532) 5.005 13.966 ( -4.312 1.227 0.221) 4.489 14.381 ( 0.549 -3.194 -3.963) 5.119 14.619 ( -18.909 -3.307 -0.334) 19.199 15.533 ( 3.305 -0.840 5.310) 6.310 16.333 ( 11.245 -16.926 10.759) 22.994 16.761 ( -7.395 0.550 2.028) 7.688 17.001 ( 1.333 -2.391 1.249) 3.008 17.361 ( 9.500 17.833 1.315) 20.249 18.369 ( 11.151 0.305 -12.307) 16.611 19.400 ( 1.725 -0.106 0.463) 1.789 19.529 ( 1.426 -1.338 -0.639) 2.057 ======================= Grid point 235 (123/144) ======================= q-point: (-0.20 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( -3.458 -6.249 17.386) 18.796 1.597 ( -6.401 4.858 15.667) 17.608 1.766 ( -4.054 2.707 -3.520) 6.013 1.880 ( 1.138 4.382 -13.958) 14.674 2.130 ( -3.844 5.781 -3.866) 7.947 2.358 ( -12.937 3.966 6.566) 15.041 2.612 ( -2.604 1.590 7.586) 8.177 2.692 ( -1.043 3.996 2.241) 4.699 2.928 ( 3.134 -3.301 -3.253) 5.594 3.135 ( 3.296 -3.029 10.660) 11.562 3.218 ( -0.808 -5.090 3.294) 6.117 3.361 ( -4.439 -2.898 1.940) 5.645 3.470 ( -5.698 -2.867 3.349) 7.205 3.618 ( -2.081 0.275 4.402) 4.877 3.692 ( -3.706 -2.723 -0.540) 4.630 3.843 ( -6.592 -2.118 2.705) 7.433 3.993 ( -3.857 -1.008 -3.931) 5.599 4.128 ( -7.213 2.424 0.524) 7.628 4.206 ( -1.053 1.287 -3.497) 3.872 4.355 ( -2.008 5.682 -3.309) 6.875 4.731 ( 2.946 1.824 -3.559) 4.966 4.948 ( 5.819 2.015 -5.996) 8.595 7.200 ( 8.423 1.529 -0.300) 8.566 7.726 ( 0.064 -4.127 -0.443) 4.151 7.790 ( 3.872 -1.666 0.941) 4.319 7.867 ( 0.222 -5.970 9.014) 10.814 8.199 ( -11.111 1.827 -3.510) 11.795 8.349 ( -2.455 0.093 -8.639) 8.981 8.455 ( -1.902 -1.098 -2.478) 3.311 8.687 ( -5.466 -3.283 0.764) 6.421 8.788 ( -1.690 2.050 -1.523) 3.062 8.851 ( -4.379 1.890 3.583) 5.965 9.021 ( -2.011 4.437 -3.346) 5.910 9.354 ( 1.271 -0.651 -1.682) 2.206 9.573 ( -4.203 1.154 0.276) 4.368 10.035 ( 0.103 -4.624 1.519) 4.869 10.403 ( 1.171 3.081 3.483) 4.795 10.805 ( 4.906 -5.474 -2.694) 7.828 10.951 ( 3.777 1.218 0.451) 3.994 11.005 ( 4.032 3.172 -1.045) 5.235 12.840 ( 2.190 3.495 0.140) 4.127 13.352 ( 4.670 -2.706 1.527) 5.609 13.856 ( -2.407 2.509 -0.767) 3.560 13.886 ( -3.430 1.640 0.456) 3.829 14.250 ( -16.250 -2.046 1.278) 16.428 14.379 ( -0.899 -3.941 -5.723) 7.006 15.627 ( 5.414 -2.763 6.028) 8.561 16.423 ( -5.520 -15.394 13.006) 20.895 16.684 ( 1.258 -4.901 -1.500) 5.278 17.032 ( 1.441 -4.882 1.198) 5.230 17.562 ( 8.972 23.411 3.531) 25.318 18.610 ( 13.271 2.293 -13.789) 19.274 19.445 ( 2.518 0.273 1.287) 2.841 19.555 ( 1.115 -0.810 -0.150) 1.386 ======================= Grid point 236 (124/144) ======================= q-point: (-0.10 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( -6.217 -0.899 15.859) 17.058 1.560 ( -1.343 3.333 16.012) 16.410 1.652 ( -4.729 1.250 -7.251) 8.747 1.887 ( 0.584 8.643 -11.689) 14.549 2.025 ( -5.915 3.999 2.421) 7.539 2.147 ( -6.125 6.426 5.769) 10.587 2.576 ( -1.475 4.701 0.984) 5.024 2.661 ( -2.070 2.018 5.027) 5.799 2.988 ( 3.051 -3.159 -1.596) 4.673 3.141 ( -1.755 -3.206 2.727) 4.560 3.204 ( -2.031 -2.896 4.248) 5.528 3.313 ( -2.740 -3.831 3.313) 5.759 3.383 ( -1.188 -3.451 7.954) 8.751 3.566 ( -0.888 -11.119 -0.139) 11.155 3.680 ( -4.610 -0.634 6.363) 7.883 3.730 ( -0.037 1.248 4.306) 4.483 3.910 ( -3.604 -3.627 -9.803) 11.056 4.017 ( -3.207 3.516 2.407) 5.333 4.185 ( -0.489 4.789 -1.583) 5.068 4.315 ( -1.588 9.735 -1.062) 9.920 4.808 ( 4.243 3.226 -0.492) 5.352 5.086 ( 7.029 3.356 -13.144) 15.278 7.349 ( 5.433 1.461 0.731) 5.673 7.671 ( -1.875 -2.006 -0.509) 2.792 7.837 ( -5.728 -5.903 4.724) 9.485 7.931 ( 5.345 -2.033 0.863) 5.783 8.010 ( -3.389 1.047 2.587) 4.390 8.260 ( -4.295 -2.281 -5.001) 6.976 8.435 ( 0.042 -2.893 -5.588) 6.292 8.572 ( -5.037 -3.501 -0.010) 6.134 8.750 ( -2.747 2.500 1.138) 3.885 8.819 ( 1.215 2.801 0.608) 3.113 8.970 ( -2.320 4.465 -4.134) 6.512 9.367 ( -0.082 -0.876 -1.569) 1.799 9.493 ( -2.932 0.032 -0.815) 3.044 10.050 ( 1.123 -6.195 1.617) 6.501 10.431 ( 0.957 4.822 3.498) 6.034 10.867 ( 1.691 -3.194 -2.808) 4.576 11.017 ( 2.364 1.073 -0.353) 2.620 11.095 ( 4.163 0.027 -0.222) 4.169 12.880 ( 1.581 4.165 -0.076) 4.455 13.474 ( 7.115 -2.759 1.696) 7.817 13.809 ( -2.348 0.789 -0.364) 2.504 13.828 ( -2.823 1.853 2.143) 3.999 13.950 ( -11.412 -0.681 -2.463) 11.695 14.354 ( -0.920 -4.097 -3.422) 5.416 15.796 ( 10.728 -7.502 4.067) 13.709 16.245 ( -11.608 -10.124 9.716) 18.211 16.725 ( 1.399 -10.279 -0.933) 10.416 17.064 ( 1.460 -7.695 0.582) 7.854 17.718 ( 5.514 28.201 3.417) 28.938 18.806 ( 6.173 3.230 -10.294) 12.430 19.507 ( 3.175 0.741 1.364) 3.534 19.574 ( 0.663 -0.146 0.275) 0.733 ======================= Grid point 237 (125/144) ======================= q-point: ( 0.00 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 2.506 1.095 10.158) 10.520 1.576 ( 0.367 -3.177 -7.423) 8.082 1.662 ( 0.247 4.830 11.480) 12.457 1.845 ( -5.907 -0.168 -3.364) 6.800 2.241 ( 0.300 15.955 1.846) 16.064 2.297 ( 1.461 13.466 -2.461) 13.767 2.666 ( 1.213 -0.017 5.856) 5.981 2.701 ( -0.440 6.069 -3.062) 6.812 2.958 ( -0.631 -2.278 0.633) 2.447 3.067 ( -0.243 -4.542 2.534) 5.206 3.103 ( 3.000 -6.837 0.763) 7.505 3.169 ( -0.473 -5.580 1.694) 5.851 3.349 ( 1.282 -5.082 -2.687) 5.890 3.368 ( 4.376 -4.703 7.328) 9.745 3.647 ( -5.240 -0.704 0.305) 5.296 3.745 ( 2.722 -0.431 2.949) 4.037 3.800 ( 1.864 0.293 -4.661) 5.029 4.005 ( 0.546 -0.371 -0.039) 0.662 4.332 ( -0.187 8.087 2.397) 8.436 4.489 ( -0.092 6.407 1.085) 6.499 4.981 ( 0.819 6.326 5.114) 8.176 5.186 ( -2.918 2.446 -12.196) 12.777 7.443 ( -0.800 2.809 1.488) 3.278 7.602 ( 0.006 -3.160 -0.785) 3.256 7.701 ( 1.774 -1.959 1.475) 3.026 7.937 ( 0.751 -5.465 -0.794) 5.573 7.981 ( 0.242 -0.990 2.976) 3.146 8.093 ( -3.633 -3.535 -3.795) 6.332 8.360 ( 0.329 -2.542 -1.369) 2.906 8.455 ( 1.325 -3.538 -1.071) 3.927 8.784 ( -0.571 3.706 1.588) 4.072 8.895 ( 2.003 0.595 -3.069) 3.712 9.033 ( -1.644 6.735 -1.131) 7.025 9.327 ( -0.543 -2.487 1.110) 2.777 9.475 ( -0.171 2.521 -2.002) 3.224 9.893 ( 0.034 -10.103 0.427) 10.112 10.570 ( 0.393 6.094 2.076) 6.450 10.816 ( -0.466 -3.174 -1.647) 3.606 11.064 ( 0.263 0.914 0.351) 1.014 11.113 ( -0.224 -1.564 -0.776) 1.761 13.019 ( 0.167 7.398 -1.081) 7.478 13.493 ( 0.350 -6.644 1.566) 6.835 13.733 ( -1.320 1.522 1.358) 2.430 13.803 ( -1.044 0.247 1.716) 2.023 13.915 ( 2.900 2.431 -6.149) 7.220 14.225 ( -0.413 -6.432 -0.488) 6.464 15.729 ( 0.151 -9.697 2.768) 10.086 15.926 ( 2.016 -9.669 3.128) 10.360 16.646 ( 0.089 -0.300 -1.451) 1.485 16.900 ( 0.426 -8.651 -0.887) 8.707 18.325 ( 1.473 22.013 1.462) 22.111 18.867 ( -3.768 1.379 -0.882) 4.109 19.572 ( 0.159 0.877 0.322) 0.948 19.585 ( 0.221 0.181 0.475) 0.554 ======================= Grid point 238 (126/144) ======================= q-point: ( 0.10 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 7.645 0.605 6.661) 10.158 1.578 ( -0.666 -5.828 -7.488) 9.513 1.695 ( -0.806 3.055 14.740) 15.075 1.797 ( 3.184 4.340 -1.394) 5.560 2.282 ( 3.067 15.590 0.079) 15.889 2.354 ( 4.614 8.618 -1.355) 9.869 2.668 ( -2.444 -1.478 2.228) 3.622 2.747 ( 4.266 6.067 -1.405) 7.548 2.939 ( 0.839 0.424 -2.120) 2.319 3.100 ( 3.394 -3.654 2.042) 5.390 3.152 ( 3.027 -7.758 0.910) 8.377 3.260 ( 7.439 -6.051 -0.615) 9.609 3.363 ( -2.623 -7.177 -5.209) 9.247 3.435 ( 3.915 -3.413 -2.755) 5.880 3.633 ( 5.046 -0.463 7.138) 8.754 3.787 ( 1.355 -1.369 0.880) 2.118 3.918 ( 8.039 1.162 -7.015) 10.732 4.058 ( 4.818 0.515 -0.682) 4.893 4.309 ( -2.338 8.006 1.931) 8.561 4.478 ( -1.491 5.757 0.981) 6.027 4.928 ( -6.593 4.503 4.888) 9.362 5.004 ( -10.876 2.988 -6.743) 13.141 7.371 ( -6.328 3.770 2.376) 7.740 7.611 ( 0.975 -2.569 -0.604) 2.813 7.795 ( 4.321 -4.784 -0.479) 6.464 7.887 ( -3.136 -5.835 -2.613) 7.121 8.010 ( 2.340 -0.421 3.067) 3.881 8.092 ( 3.713 -1.805 0.732) 4.193 8.389 ( 2.546 -0.878 -1.334) 3.006 8.538 ( 6.091 -3.925 -2.420) 7.640 8.789 ( 0.784 3.916 0.572) 4.034 8.923 ( 1.063 0.598 -2.758) 3.016 9.029 ( 1.539 6.518 0.399) 6.709 9.316 ( -0.739 -1.923 1.825) 2.752 9.508 ( 3.484 2.163 -0.965) 4.213 9.898 ( 0.339 -9.615 0.751) 9.651 10.553 ( -2.286 5.214 1.045) 5.788 10.774 ( -3.424 -3.328 -0.681) 4.823 11.049 ( -1.555 1.243 -0.397) 2.030 11.085 ( -2.278 -1.049 -0.153) 2.513 12.995 ( -2.148 6.794 -0.980) 7.192 13.411 ( -5.791 -4.637 0.167) 7.421 13.796 ( 3.558 0.430 1.871) 4.043 13.832 ( 3.658 0.933 3.042) 4.848 14.025 ( 9.056 -0.202 -7.726) 11.905 14.226 ( 0.646 -5.276 -0.038) 5.316 15.682 ( -2.904 -4.559 1.621) 5.643 16.066 ( 8.076 -16.260 0.059) 18.155 16.651 ( 1.135 1.040 -1.824) 2.386 16.917 ( 1.398 -8.059 -1.573) 8.329 18.279 ( -6.029 19.989 -1.987) 20.973 18.695 ( -12.923 3.754 6.623) 14.998 19.541 ( -2.605 0.700 -0.343) 2.719 19.574 ( -1.380 -0.338 0.201) 1.435 ======================= Grid point 239 (127/144) ======================= q-point: ( 0.20 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( -1.906 -6.997 -4.152) 8.356 1.591 ( -4.357 -5.789 9.724) 12.126 1.730 ( 6.676 6.725 8.588) 12.788 1.909 ( 6.291 6.338 -2.716) 9.334 2.352 ( 3.420 12.100 -2.214) 12.767 2.458 ( 2.544 0.906 5.846) 6.439 2.572 ( -3.882 -0.091 -3.297) 5.094 2.831 ( 3.597 6.895 -1.836) 7.991 3.009 ( 5.048 -0.816 -4.752) 6.980 3.164 ( -2.252 -2.729 -3.497) 4.975 3.234 ( 5.210 -8.104 -1.821) 9.805 3.321 ( 5.173 -3.783 -2.034) 6.724 3.417 ( 6.458 -6.223 -4.276) 9.936 3.563 ( 8.348 -4.568 -3.542) 10.154 3.766 ( 4.129 -0.242 7.207) 8.310 3.835 ( 3.990 -1.025 -0.208) 4.125 4.035 ( 4.939 2.938 -10.509) 11.978 4.186 ( 6.347 0.690 -1.910) 6.664 4.253 ( -2.438 5.785 1.363) 6.424 4.412 ( -4.973 4.078 1.894) 6.705 4.746 ( -7.487 3.128 -0.089) 8.114 4.870 ( -2.338 0.803 4.261) 4.926 7.213 ( -8.864 4.356 2.917) 10.299 7.603 ( -3.496 -5.912 0.811) 6.916 7.751 ( -2.522 -4.096 -1.187) 4.954 7.893 ( 0.460 -6.186 -6.050) 8.665 8.152 ( 9.736 1.775 3.985) 10.669 8.201 ( 5.896 0.399 3.917) 7.090 8.453 ( 3.776 1.272 -0.432) 4.008 8.663 ( 5.984 -4.090 -2.914) 7.812 8.820 ( 2.422 3.539 -0.390) 4.306 8.944 ( 1.671 1.741 -1.178) 2.685 9.079 ( 2.644 5.036 0.726) 5.733 9.305 ( -0.605 -1.018 1.922) 2.257 9.602 ( 5.309 1.919 0.175) 5.648 9.910 ( 0.610 -7.197 2.150) 7.536 10.489 ( -3.746 2.890 0.060) 4.732 10.677 ( -5.823 -4.292 -0.528) 7.253 11.004 ( -2.595 1.090 -1.253) 3.081 11.033 ( -2.415 1.318 0.735) 2.848 12.939 ( -2.926 5.676 -0.731) 6.427 13.301 ( -4.736 -4.644 -0.663) 6.666 13.874 ( 4.212 2.403 2.197) 5.324 13.925 ( 4.640 2.045 1.589) 5.314 14.220 ( 6.407 -3.661 -2.207) 7.702 14.271 ( 7.597 -4.428 -3.279) 9.385 15.635 ( -2.069 -0.334 0.616) 2.184 16.169 ( 0.932 -18.781 -0.520) 18.812 16.710 ( 5.094 1.802 -2.880) 6.123 16.952 ( 2.303 -6.085 -2.482) 6.963 18.073 ( -13.510 16.763 -4.294) 21.954 18.404 ( -15.250 4.126 11.092) 19.303 19.480 ( -3.003 0.585 -0.905) 3.190 19.538 ( -1.982 -1.086 -0.058) 2.261 ======================= Grid point 240 (128/144) ======================= q-point: ( 0.30 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( -8.461 -5.453 5.528) 11.484 1.522 ( -1.077 -9.964 2.068) 10.233 1.882 ( 5.468 1.725 1.863) 6.029 2.031 ( 6.401 3.631 -3.336) 8.080 2.307 ( -8.021 -4.656 -2.381) 9.575 2.476 ( 4.150 11.561 3.297) 12.718 2.608 ( 2.582 0.213 -2.612) 3.679 2.878 ( 0.957 5.823 -2.395) 6.368 2.983 ( -7.227 -2.520 -6.863) 10.280 3.135 ( 2.610 -0.588 -6.854) 7.358 3.335 ( 2.509 -7.484 -4.001) 8.849 3.417 ( -1.407 1.129 -5.302) 5.600 3.505 ( 6.922 -2.322 0.287) 7.306 3.748 ( 8.650 -6.689 0.601) 10.950 3.830 ( 3.314 1.982 1.686) 4.213 3.897 ( 1.084 -3.345 -4.236) 5.506 4.127 ( 5.250 3.534 -4.616) 7.833 4.227 ( 1.623 4.007 4.012) 5.898 4.305 ( 4.474 -0.001 -1.305) 4.661 4.357 ( 0.923 -0.893 1.159) 1.730 4.690 ( 0.981 3.356 2.796) 4.477 4.878 ( 1.459 -0.845 1.368) 2.171 7.039 ( -8.130 4.568 2.991) 9.793 7.475 ( -7.450 -7.937 0.417) 10.893 7.746 ( 0.771 -2.985 0.424) 3.112 7.881 ( -0.126 -5.757 -6.340) 8.565 8.299 ( 4.200 3.489 4.148) 6.857 8.359 ( 7.390 1.809 2.999) 8.177 8.541 ( 4.554 2.491 0.704) 5.238 8.771 ( 5.191 -3.880 -2.177) 6.836 8.894 ( 4.840 2.550 0.045) 5.471 8.993 ( 3.290 1.889 -1.369) 4.033 9.123 ( 1.284 4.505 2.163) 5.160 9.297 ( -0.442 -0.176 1.614) 1.683 9.708 ( 4.585 1.900 0.331) 4.974 9.921 ( -0.320 -3.884 3.813) 5.452 10.411 ( -3.611 0.160 -0.606) 3.665 10.548 ( -5.967 -5.362 -1.219) 8.114 10.949 ( -2.380 2.114 -0.369) 3.205 10.993 ( -1.549 2.204 0.260) 2.706 12.880 ( -2.580 4.804 -0.556) 5.482 13.215 ( -3.493 -5.147 -0.873) 6.281 13.970 ( 4.529 4.075 1.993) 6.410 14.024 ( 4.749 3.265 0.331) 5.773 14.266 ( 1.181 -2.953 -0.519) 3.223 14.524 ( 14.257 -7.511 -1.637) 16.197 15.588 ( -2.781 1.969 0.206) 3.413 16.102 ( -6.986 -15.364 -0.579) 16.888 16.825 ( 5.605 0.608 -2.202) 6.053 16.993 ( 1.838 -3.455 -3.683) 5.374 17.743 ( -16.568 14.943 -1.018) 22.335 18.160 ( -9.377 0.249 6.938) 11.668 19.423 ( -2.304 0.441 -1.093) 2.588 19.497 ( -1.871 -1.560 -0.194) 2.444 ======================= Grid point 241 (129/144) ======================= q-point: ( 0.40 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( -4.906 -9.349 3.373) 11.084 1.517 ( 0.382 -13.256 0.538) 13.272 1.935 ( 0.275 -0.571 -2.208) 2.297 2.148 ( -3.754 -7.726 0.362) 8.597 2.179 ( 5.722 0.362 -5.448) 7.909 2.541 ( -2.161 -0.809 -6.208) 6.623 2.597 ( -1.530 10.531 1.547) 10.754 2.792 ( -4.791 -0.129 -5.395) 7.217 2.918 ( 0.614 8.433 -2.706) 8.878 3.155 ( 1.234 0.162 -7.357) 7.462 3.272 ( -5.424 -1.444 -1.159) 5.731 3.400 ( -0.640 -2.621 -1.302) 2.996 3.611 ( 2.563 -3.003 1.236) 4.137 3.846 ( 0.712 -1.819 1.052) 2.218 3.906 ( 3.672 -2.041 0.493) 4.229 3.949 ( 4.628 -2.654 -2.692) 5.976 4.212 ( 3.300 1.134 -0.326) 3.505 4.304 ( 3.470 0.020 1.290) 3.703 4.380 ( 3.289 -0.901 -0.144) 3.413 4.434 ( 4.838 -0.011 1.703) 5.129 4.743 ( 2.941 3.151 1.056) 4.438 4.896 ( -0.111 -1.109 -1.375) 1.770 6.908 ( -4.654 4.450 2.583) 6.938 7.339 ( -5.208 -7.738 -0.099) 9.328 7.756 ( -0.144 -3.236 2.592) 4.149 7.876 ( 0.437 -5.920 -6.305) 8.660 8.373 ( 2.593 4.906 3.827) 6.741 8.466 ( 3.077 2.528 0.039) 3.982 8.623 ( 2.912 3.268 0.837) 4.456 8.863 ( 3.601 -3.703 -0.859) 5.236 9.008 ( 5.655 1.900 0.528) 5.989 9.060 ( 2.854 1.685 -1.007) 3.464 9.139 ( 0.037 4.560 3.360) 5.664 9.292 ( -0.162 0.193 1.163) 1.190 9.781 ( 2.380 2.017 0.589) 3.175 9.902 ( -1.909 -0.848 3.468) 4.048 10.342 ( -2.974 -2.058 0.014) 3.616 10.455 ( -2.461 -6.389 -2.333) 7.233 10.910 ( -1.370 3.111 0.419) 3.425 10.971 ( -0.699 2.432 -0.003) 2.530 12.836 ( -1.557 4.276 -0.394) 4.568 13.156 ( -2.140 -5.430 -0.646) 5.872 14.054 ( 3.109 4.507 1.000) 5.566 14.112 ( 3.554 5.246 0.129) 6.338 14.281 ( 0.453 -2.086 -1.010) 2.361 14.820 ( 13.860 -11.801 1.578) 18.271 15.530 ( -2.448 2.822 0.575) 3.780 15.899 ( -12.013 -9.286 -0.382) 15.188 16.906 ( 2.229 -0.547 -0.344) 2.320 17.005 ( -0.353 -1.884 -3.775) 4.234 17.467 ( -9.028 14.156 1.194) 16.832 18.044 ( -2.743 -4.294 1.096) 5.212 19.384 ( -1.324 0.286 -0.969) 1.666 19.465 ( -1.145 -1.784 -0.232) 2.132 ======================= Grid point 242 (130/144) ======================= q-point: (-0.50 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( 1.052 -10.766 1.409) 10.908 1.545 ( 2.450 -14.225 -2.728) 14.689 1.922 ( -1.336 -1.272 -1.605) 2.445 2.056 ( -3.052 -5.466 -1.488) 6.435 2.295 ( 1.630 -4.222 -3.103) 5.487 2.432 ( -3.170 -4.701 -5.074) 7.609 2.541 ( -0.488 5.460 1.508) 5.685 2.783 ( 1.182 10.116 -5.018) 11.354 2.924 ( 0.130 7.594 -2.012) 7.857 3.149 ( -5.674 0.937 0.961) 5.831 3.198 ( 3.184 -1.247 -2.739) 4.381 3.381 ( -0.446 -2.176 -1.068) 2.464 3.631 ( -0.528 -5.041 2.502) 5.653 3.840 ( -1.665 2.300 1.982) 3.463 3.938 ( -1.056 0.749 2.325) 2.662 4.006 ( 0.522 -7.344 -1.343) 7.484 4.241 ( -0.832 -0.385 0.793) 1.212 4.335 ( -0.198 -3.721 -1.241) 3.928 4.430 ( 0.348 2.390 1.411) 2.797 4.514 ( 2.577 -0.341 -0.642) 2.678 4.791 ( 0.875 2.576 0.134) 2.724 4.873 ( -0.943 -0.612 -2.221) 2.489 6.868 ( 0.598 4.117 1.574) 4.449 7.280 ( -0.243 -7.341 0.018) 7.345 7.751 ( -0.762 -3.092 3.880) 5.019 7.870 ( -0.300 -6.351 -5.492) 8.402 8.421 ( 1.531 4.687 2.827) 5.684 8.498 ( 0.479 3.095 -2.772) 4.182 8.657 ( 0.192 3.595 0.768) 3.682 8.902 ( 0.162 -3.359 -0.850) 3.468 9.078 ( -1.011 1.792 -0.150) 2.063 9.091 ( 1.015 1.460 -0.054) 1.779 9.140 ( -0.399 4.581 4.026) 6.112 9.300 ( 0.881 -0.037 0.203) 0.905 9.792 ( -1.628 3.003 3.206) 4.685 9.897 ( 2.108 -0.217 -0.528) 2.184 10.301 ( -0.881 -2.824 1.341) 3.248 10.435 ( 0.609 -6.967 -3.061) 7.635 10.894 ( -0.296 3.663 0.934) 3.792 10.965 ( 0.110 2.494 -0.105) 2.499 12.818 ( -0.097 4.092 -0.197) 4.098 13.129 ( -0.391 -5.400 -0.050) 5.414 14.090 ( 0.166 3.646 0.036) 3.650 14.154 ( 0.213 7.921 0.315) 7.930 14.288 ( 0.664 -2.214 -1.903) 2.994 15.016 ( 1.821 -16.074 1.099) 16.214 15.501 ( -1.497 2.399 2.544) 3.803 15.698 ( -3.170 -3.494 2.448) 5.315 16.928 ( 0.279 -1.210 1.328) 1.818 16.968 ( -2.312 -1.594 -2.027) 3.464 17.390 ( 0.826 13.842 0.176) 13.868 18.042 ( 2.619 -6.011 -3.474) 7.420 19.366 ( -0.273 0.217 -0.507) 0.615 19.453 ( 0.053 -1.974 -0.315) 1.999 ======================= Grid point 243 (131/144) ======================= q-point: (-0.40 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 4.474 -7.708 2.079) 9.151 1.597 ( 3.214 -10.054 -6.240) 12.262 1.864 ( -3.068 1.329 3.536) 4.867 2.044 ( -0.796 -2.370 3.390) 4.212 2.234 ( -0.929 -3.531 -4.678) 5.934 2.427 ( 0.590 -3.282 -0.666) 3.401 2.658 ( 8.785 -2.114 3.499) 9.690 2.759 ( -1.797 10.002 -7.527) 12.646 2.913 ( -0.951 7.208 -2.094) 7.566 3.037 ( -5.346 -1.181 3.539) 6.519 3.269 ( 2.546 -0.102 -0.588) 2.615 3.379 ( -0.168 -1.118 0.769) 1.367 3.592 ( -3.982 -2.781 3.543) 6.012 3.793 ( -3.014 1.520 4.345) 5.502 3.887 ( -3.254 -0.081 3.220) 4.579 3.948 ( -5.946 -7.968 -2.289) 10.202 4.186 ( -4.312 0.101 1.459) 4.553 4.309 ( -1.758 -1.479 -0.547) 2.362 4.383 ( -4.641 1.223 0.539) 4.830 4.520 ( -1.957 -1.294 -5.427) 5.912 4.766 ( -1.798 2.954 -1.089) 3.625 4.882 ( 1.169 -0.273 0.058) 1.202 6.934 ( 5.442 3.914 0.342) 6.712 7.332 ( 5.021 -7.045 0.473) 8.665 7.742 ( -0.647 -3.509 5.001) 6.143 7.839 ( -2.051 -6.032 -4.264) 7.666 8.439 ( -0.164 3.896 0.374) 3.917 8.487 ( -0.900 3.032 -4.225) 5.278 8.631 ( -2.800 3.338 0.197) 4.362 8.865 ( -3.602 -3.094 -1.113) 4.877 9.004 ( -5.661 1.900 1.389) 6.131 9.054 ( -3.874 0.608 -1.512) 4.203 9.144 ( 0.145 4.690 3.164) 5.659 9.321 ( 0.924 -0.407 -0.829) 1.307 9.756 ( -2.187 3.989 2.666) 5.273 9.952 ( 2.209 -1.663 -0.861) 2.896 10.315 ( 2.000 -1.791 1.865) 3.269 10.469 ( 3.374 -6.788 -3.116) 8.195 10.902 ( 0.860 3.685 1.169) 3.961 10.975 ( 0.999 2.347 -0.327) 2.571 12.832 ( 1.423 4.278 -0.025) 4.508 13.141 ( 1.549 -5.145 0.641) 5.412 14.063 ( -2.454 2.946 -0.323) 3.848 14.120 ( -3.375 8.857 0.050) 9.478 14.299 ( 0.540 -3.714 -2.879) 4.730 14.854 ( -14.667 -11.309 -1.552) 18.586 15.487 ( 0.860 2.010 4.362) 4.879 15.818 ( 9.766 -9.028 7.055) 15.055 16.891 ( -4.344 -0.430 1.570) 4.639 16.945 ( 0.090 -1.814 0.432) 1.867 17.484 ( 8.327 14.910 -0.506) 17.085 18.141 ( 7.903 -5.274 -6.942) 11.767 19.372 ( 0.888 0.298 0.113) 0.943 19.465 ( 1.146 -2.126 -0.311) 2.435 ======================= Grid point 244 (132/144) ======================= q-point: (-0.30 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 0.158 -4.053 6.646) 7.786 1.675 ( 4.861 -5.564 -7.303) 10.388 1.827 ( -2.278 5.917 12.173) 13.726 1.995 ( -1.217 4.691 -6.559) 8.156 2.323 ( 7.109 -5.108 2.292) 9.049 2.393 ( -3.997 2.588 0.738) 4.818 2.709 ( -2.852 2.642 -8.648) 9.482 2.817 ( 3.482 -5.366 8.447) 10.596 2.881 ( -1.826 7.259 -1.951) 7.736 2.966 ( -0.251 0.858 5.092) 5.170 3.236 ( -5.691 -1.962 4.377) 7.443 3.375 ( -0.946 -2.319 0.838) 2.641 3.491 ( -5.873 -2.292 2.497) 6.781 3.724 ( -6.340 0.761 4.838) 8.012 3.762 ( -7.316 -2.395 1.418) 7.827 3.884 ( 0.698 -5.547 -0.387) 5.604 4.081 ( -6.255 1.538 0.651) 6.474 4.261 ( -3.479 3.532 -0.001) 4.958 4.280 ( -4.237 -1.762 0.724) 4.645 4.450 ( -1.873 -0.291 -6.657) 6.921 4.748 ( 0.447 3.148 -2.190) 3.861 4.905 ( 1.471 -0.172 -0.681) 1.630 7.078 ( 8.210 3.880 -0.378) 9.088 7.471 ( 7.975 -6.952 0.670) 10.601 7.741 ( -0.346 -4.529 6.019) 7.540 7.778 ( -3.155 -4.679 -2.579) 6.204 8.404 ( -3.919 2.416 -2.612) 5.293 8.441 ( -2.904 2.277 -6.189) 7.206 8.546 ( -5.217 2.300 0.069) 5.702 8.754 ( -6.631 -2.933 -0.871) 7.302 8.890 ( -4.589 1.957 0.808) 5.054 8.962 ( -4.456 0.429 -0.015) 4.477 9.146 ( -0.506 4.764 1.084) 4.911 9.330 ( 0.229 -0.806 -1.104) 1.386 9.702 ( -3.543 3.739 0.982) 5.243 9.961 ( -1.145 -3.792 0.117) 3.962 10.382 ( 3.885 0.440 1.605) 4.226 10.566 ( 6.204 -6.082 -2.451) 9.027 10.933 ( 2.053 3.150 0.962) 3.881 11.005 ( 1.977 2.021 -0.639) 2.899 12.874 ( 2.584 4.820 -0.000) 5.469 13.193 ( 3.301 -4.796 1.099) 5.926 13.999 ( -3.472 3.175 -0.455) 4.727 14.031 ( -4.927 6.847 -0.439) 8.447 14.294 ( -0.638 -5.306 -3.034) 6.145 14.520 ( -16.446 -6.629 -1.631) 17.806 15.532 ( 2.262 1.283 5.135) 5.756 16.008 ( 6.415 -14.976 8.190) 18.235 16.781 ( -6.102 1.463 1.394) 6.428 16.942 ( -0.649 -3.320 0.756) 3.466 17.715 ( 13.337 16.996 1.306) 21.644 18.347 ( 13.272 -3.148 -9.228) 16.469 19.403 ( 2.023 0.540 0.753) 2.225 19.496 ( 1.777 -1.940 -0.123) 2.634 ======================= Grid point 245 (133/144) ======================= q-point: (-0.20 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( -2.031 -2.060 9.875) 10.290 1.696 ( -2.174 -2.353 0.073) 3.205 1.789 ( -4.169 7.285 8.337) 11.830 2.011 ( 2.827 7.315 -13.928) 15.984 2.309 ( -3.092 8.541 1.563) 9.217 2.414 ( -2.647 3.240 5.466) 6.884 2.607 ( -2.220 -1.870 -0.143) 2.906 2.825 ( -2.930 8.218 0.814) 8.762 2.855 ( 0.980 -3.940 3.948) 5.663 3.043 ( 4.399 -5.243 6.711) 9.586 3.119 ( -4.987 -3.890 4.893) 7.996 3.306 ( -6.039 -2.303 0.158) 6.465 3.382 ( -4.398 -6.191 2.196) 7.905 3.509 ( -10.545 -5.818 0.395) 12.050 3.741 ( 0.653 3.070 7.523) 8.151 3.846 ( -5.763 -0.225 1.164) 5.884 3.951 ( -4.953 -1.025 -4.858) 7.013 4.141 ( -6.595 -1.171 1.583) 6.883 4.266 ( 1.496 5.123 0.138) 5.339 4.459 ( 2.170 3.258 -2.188) 4.485 4.787 ( 4.002 3.763 -2.758) 6.147 4.975 ( 6.604 0.178 -4.364) 7.918 7.252 ( 8.336 3.805 -0.357) 9.170 7.621 ( 4.101 -6.316 -0.456) 7.545 7.731 ( 0.456 -4.144 0.727) 4.232 7.745 ( 0.212 -5.212 5.840) 7.831 8.241 ( -10.341 2.335 -4.139) 11.381 8.350 ( -5.385 -0.253 -8.406) 9.986 8.443 ( -4.164 0.384 0.588) 4.223 8.618 ( -6.450 -3.623 0.534) 7.417 8.832 ( -1.251 2.331 -1.504) 3.043 8.886 ( -2.956 1.336 2.825) 4.302 9.123 ( -1.666 5.332 -1.749) 5.853 9.332 ( 0.123 -1.614 -0.525) 1.702 9.615 ( -4.730 3.138 -0.835) 5.737 9.925 ( -1.949 -6.143 0.826) 6.497 10.465 ( 3.761 2.964 1.845) 5.132 10.695 ( 6.189 -5.383 -1.901) 8.419 10.984 ( 2.654 2.130 0.555) 3.448 11.051 ( 2.513 1.363 -0.902) 2.998 12.933 ( 3.079 5.688 -0.226) 6.472 13.278 ( 4.881 -4.572 1.273) 6.808 13.923 ( -4.371 4.075 -1.876) 6.264 13.935 ( -3.439 3.380 0.728) 4.877 14.191 ( -14.286 -3.760 0.331) 14.776 14.274 ( -1.724 -6.346 -4.070) 7.734 15.586 ( 2.305 -0.506 5.218) 5.727 16.077 ( -1.308 -16.738 7.994) 18.595 16.678 ( -3.347 1.930 -0.106) 3.865 16.922 ( -1.193 -5.626 0.228) 5.756 17.995 ( 12.747 19.578 3.298) 23.594 18.626 ( 14.206 -1.429 -9.478) 17.137 19.457 ( 3.037 0.964 1.295) 3.439 19.535 ( 1.927 -1.208 0.168) 2.281 ======================= Grid point 246 (134/144) ======================= q-point: (-0.10 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( -1.455 -0.601 11.844) 11.948 1.628 ( -3.535 -3.973 -5.331) 7.530 1.691 ( -4.991 9.147 10.117) 14.524 1.978 ( -4.567 1.461 -9.424) 10.574 2.284 ( -1.317 18.377 -1.583) 18.491 2.290 ( -4.299 8.011 4.764) 10.264 2.633 ( 1.335 -0.326 6.964) 7.098 2.752 ( -3.535 6.677 -1.608) 7.725 2.912 ( 3.990 -3.987 -0.492) 5.662 3.065 ( -1.038 -5.056 1.269) 5.315 3.111 ( -1.281 -5.205 8.047) 9.669 3.203 ( -2.052 -5.041 4.172) 6.857 3.311 ( -1.816 -7.729 0.564) 7.960 3.361 ( -3.179 -5.048 1.272) 6.100 3.725 ( -4.724 3.383 6.422) 8.661 3.752 ( -1.310 0.226 3.811) 4.036 3.843 ( -4.348 -2.097 -8.884) 10.111 4.035 ( -3.627 -1.178 1.779) 4.208 4.309 ( 1.993 7.563 1.481) 7.960 4.485 ( 0.432 5.781 0.528) 5.822 4.896 ( 5.944 5.521 0.588) 8.134 5.138 ( 8.131 1.017 -9.736) 12.726 7.396 ( 5.130 3.373 0.357) 6.150 7.616 ( -1.335 -3.448 -0.999) 3.830 7.717 ( -2.301 -5.266 5.209) 7.756 7.854 ( 6.489 -5.494 0.762) 8.536 8.041 ( -6.901 2.074 -1.926) 7.459 8.210 ( -6.368 -2.663 -6.413) 9.422 8.380 ( -2.027 -1.855 -0.872) 2.883 8.498 ( -4.829 -3.744 0.573) 6.137 8.807 ( -1.508 2.953 -0.005) 3.315 8.865 ( 0.679 1.623 0.575) 1.850 9.078 ( -2.154 5.925 -3.011) 6.986 9.333 ( -0.092 -2.412 0.237) 2.425 9.521 ( -3.756 2.809 -1.940) 5.076 9.898 ( -0.723 -8.560 0.812) 8.629 10.535 ( 2.574 5.118 2.332) 6.185 10.792 ( 3.209 -4.180 -1.986) 5.631 11.037 ( 2.143 0.999 0.472) 2.411 11.097 ( 1.792 -0.046 -0.976) 2.041 12.992 ( 2.426 6.772 -0.705) 7.228 13.396 ( 6.212 -5.103 1.418) 8.163 13.832 ( -4.210 1.398 -1.242) 4.607 13.878 ( -4.374 2.971 4.129) 6.709 13.934 ( -7.547 -0.601 -4.661) 8.890 14.242 ( -1.048 -6.750 -1.938) 7.101 15.655 ( 3.978 -4.926 4.231) 7.616 15.996 ( -6.343 -13.151 6.369) 15.930 16.647 ( -0.126 0.167 -1.281) 1.298 16.902 ( -0.596 -7.663 -0.303) 7.692 18.220 ( 8.195 21.703 3.399) 23.447 18.842 ( 6.893 -0.488 -6.779) 9.680 19.527 ( 3.358 1.209 1.066) 3.725 19.570 ( 1.312 -0.251 0.484) 1.421 ======================= Grid point 247 (135/144) ======================= q-point: ( 0.00 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 2.105 2.264 1.240) 3.331 1.474 ( 0.365 -5.653 -5.992) 8.246 1.778 ( -2.644 5.635 8.027) 10.158 1.846 ( -4.274 -1.050 2.035) 4.849 2.467 ( 0.294 9.147 2.227) 9.419 2.599 ( 0.260 0.563 3.347) 3.404 2.648 ( 0.314 10.351 1.408) 10.451 2.820 ( 0.661 5.406 -2.759) 6.106 2.882 ( 0.788 -7.135 3.546) 8.007 2.952 ( 2.651 -6.680 -3.662) 8.066 2.997 ( -0.064 0.179 0.267) 0.328 3.087 ( 0.566 -6.126 -2.895) 6.799 3.243 ( 2.911 -0.271 1.627) 3.346 3.303 ( 0.970 -3.957 1.776) 4.445 3.663 ( -2.913 2.657 0.714) 4.007 3.722 ( -0.350 -2.555 2.438) 3.549 3.866 ( 2.578 5.343 0.108) 5.933 3.964 ( 1.614 -3.827 0.804) 4.230 4.474 ( -0.222 5.764 2.415) 6.253 4.543 ( -0.226 -0.757 2.109) 2.252 5.105 ( -0.174 5.727 2.007) 6.071 5.189 ( -1.686 -2.278 -4.942) 5.697 7.498 ( 0.099 2.492 -0.310) 2.513 7.546 ( 1.115 -2.536 -2.024) 3.430 7.699 ( 1.065 2.735 1.119) 3.141 7.804 ( 0.415 -6.927 0.602) 6.965 7.988 ( -1.491 1.367 -0.954) 2.237 8.030 ( -2.687 -2.781 -3.469) 5.195 8.347 ( 0.763 1.009 0.661) 1.427 8.389 ( 1.080 -2.960 0.014) 3.151 8.850 ( 0.086 2.779 -0.117) 2.783 8.889 ( 0.964 -1.146 -1.661) 2.236 9.161 ( -0.893 5.896 -0.759) 6.011 9.261 ( -0.470 -4.180 0.304) 4.218 9.557 ( -0.490 5.731 -0.894) 5.821 9.701 ( -0.454 -8.764 0.186) 8.778 10.676 ( 0.472 4.452 0.892) 4.565 10.751 ( 0.064 -3.400 -0.614) 3.456 11.076 ( 0.139 0.500 0.283) 0.591 11.089 ( -0.564 -0.875 -0.603) 1.203 13.178 ( 0.301 8.416 -1.172) 8.503 13.344 ( 0.542 -8.144 -0.299) 8.168 13.767 ( -1.462 1.726 1.120) 2.524 13.795 ( -1.230 -0.997 1.406) 2.117 13.984 ( 1.682 4.590 -3.252) 5.871 14.094 ( 0.497 -6.389 -1.205) 6.521 15.646 ( 0.571 1.026 2.302) 2.584 15.743 ( 0.749 -7.921 2.572) 8.361 16.676 ( 0.333 2.979 -1.372) 3.296 16.760 ( 0.333 -5.517 -1.147) 5.645 18.665 ( 0.239 12.557 0.963) 12.596 18.835 ( -1.568 -4.868 -0.147) 5.116 19.585 ( -0.095 0.401 0.743) 0.850 19.588 ( 0.122 0.056 0.751) 0.763 ======================= Grid point 248 (136/144) ======================= q-point: ( 0.10 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 2.823 -1.685 0.135) 3.290 1.475 ( -0.158 -3.476 -5.630) 6.618 1.794 ( 2.241 5.443 12.062) 13.422 1.856 ( 4.579 0.073 5.631) 7.258 2.453 ( -1.778 6.427 1.153) 6.767 2.587 ( -2.740 -6.122 1.326) 6.837 2.669 ( 2.203 16.653 1.203) 16.841 2.889 ( 5.838 7.100 -4.272) 10.136 2.934 ( 4.041 -6.450 2.165) 7.913 2.977 ( 0.716 -2.344 -7.684) 8.065 3.068 ( 7.399 -2.350 0.494) 7.779 3.128 ( 2.558 -6.698 -3.139) 7.827 3.267 ( -0.016 -0.980 -4.257) 4.369 3.330 ( 2.571 -5.785 0.107) 6.331 3.673 ( 3.576 3.598 4.737) 6.941 3.743 ( 2.176 -3.033 2.606) 4.552 3.975 ( 7.250 3.850 -3.829) 9.058 4.042 ( 5.588 -2.335 -2.117) 6.415 4.451 ( -2.352 5.939 2.073) 6.716 4.525 ( -2.069 -1.019 1.869) 2.969 5.004 ( -9.090 2.966 2.877) 9.985 5.036 ( -10.850 -0.006 -1.965) 11.026 7.463 ( -4.622 5.249 0.808) 7.040 7.558 ( -1.021 -3.614 -1.328) 3.984 7.718 ( 0.531 -1.136 -2.101) 2.446 7.769 ( -1.146 -5.268 -3.005) 6.172 8.021 ( 4.684 1.268 2.279) 5.361 8.054 ( 4.819 -1.900 1.837) 5.496 8.404 ( 4.361 2.120 -0.622) 4.889 8.463 ( 5.475 -3.538 -1.482) 6.685 8.862 ( 1.088 3.254 -0.961) 3.563 8.912 ( 1.458 -1.643 -2.376) 3.235 9.158 ( 0.653 6.062 1.044) 6.186 9.258 ( 0.102 -3.973 1.202) 4.153 9.580 ( 2.733 5.201 0.290) 5.883 9.715 ( 1.676 -8.310 1.196) 8.561 10.643 ( -3.553 3.842 -0.196) 5.237 10.710 ( -3.830 -3.127 -0.764) 5.003 11.062 ( -1.463 0.391 -0.123) 1.519 11.071 ( -1.059 -0.465 0.695) 1.349 13.142 ( -3.259 7.746 -1.189) 8.488 13.292 ( -4.543 -7.106 -0.902) 8.482 13.815 ( 4.481 1.367 2.766) 5.440 13.837 ( 4.557 -0.538 3.424) 5.726 14.045 ( 4.991 2.445 -5.357) 7.719 14.121 ( 2.309 -4.958 -2.125) 5.867 15.665 ( 1.089 3.132 0.970) 3.455 15.801 ( 3.815 -10.366 0.890) 11.081 16.697 ( 2.078 3.361 -1.831) 4.355 16.783 ( 2.172 -5.444 -1.613) 6.079 18.579 ( -8.641 10.591 0.288) 13.672 18.709 ( -10.766 -2.707 3.067) 11.517 19.555 ( -2.568 0.644 0.306) 2.665 19.566 ( -2.126 -0.464 0.498) 2.232 ======================= Grid point 249 (137/144) ======================= q-point: ( 0.20 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( -2.823 -2.010 -1.048) 3.620 1.466 ( -3.331 -4.938 3.743) 7.035 1.883 ( 3.799 7.738 9.567) 12.877 1.985 ( 5.429 -0.816 5.328) 7.651 2.398 ( -4.132 2.459 -0.345) 4.820 2.509 ( -3.397 -6.087 -2.997) 7.588 2.725 ( 2.903 16.470 -0.120) 16.724 2.957 ( 0.720 -0.111 -9.844) 9.871 3.022 ( 3.763 3.130 -2.934) 5.707 3.052 ( 7.040 -7.115 0.873) 10.048 3.119 ( -1.155 0.152 -5.014) 5.147 3.257 ( 8.153 -7.315 -3.348) 11.454 3.328 ( 7.698 1.837 -2.842) 8.409 3.434 ( 7.791 -7.463 -0.656) 10.809 3.778 ( 4.635 1.879 3.696) 6.219 3.817 ( 4.117 -1.539 1.629) 4.687 4.106 ( 5.954 3.646 -7.134) 9.982 4.165 ( 6.442 -2.150 -4.294) 8.035 4.376 ( -5.295 5.446 1.015) 7.663 4.444 ( -6.252 -1.066 1.465) 6.509 4.810 ( -7.026 3.162 2.471) 8.091 4.861 ( -4.951 -1.683 4.312) 6.777 7.324 ( -8.311 6.693 1.987) 10.854 7.468 ( -7.102 -7.471 1.146) 10.372 7.712 ( 0.392 0.615 -3.546) 3.621 7.773 ( 0.735 -5.137 -6.449) 8.277 8.184 ( 9.516 1.347 4.251) 10.509 8.202 ( 8.278 -0.423 4.557) 9.459 8.503 ( 5.049 3.410 -0.741) 6.138 8.579 ( 5.759 -4.168 -1.836) 7.342 8.891 ( 2.133 3.395 -1.912) 4.442 8.943 ( 2.168 -1.596 -2.855) 3.924 9.185 ( 1.466 5.124 2.547) 5.907 9.267 ( 0.412 -2.965 1.905) 3.548 9.661 ( 4.689 4.219 1.498) 6.483 9.770 ( 3.141 -6.581 2.438) 7.689 10.543 ( -5.688 2.704 -1.052) 6.385 10.602 ( -6.325 -3.288 -1.142) 7.220 11.027 ( -1.909 1.178 0.297) 2.263 11.043 ( -1.653 -0.303 0.896) 1.905 13.062 ( -3.936 6.565 -0.850) 7.701 13.191 ( -4.696 -6.223 -0.869) 7.845 13.929 ( 5.728 2.711 3.908) 7.445 13.956 ( 5.858 0.444 4.121) 7.176 14.162 ( 5.545 -1.354 -4.492) 7.264 14.187 ( 6.086 -3.483 -4.243) 8.196 15.685 ( 0.403 5.637 -0.101) 5.653 15.862 ( 1.321 -12.211 -0.343) 12.288 16.762 ( 4.547 3.410 -2.381) 6.163 16.844 ( 3.900 -4.815 -2.319) 6.616 18.326 ( -15.520 8.887 0.025) 17.885 18.430 ( -15.973 -1.781 5.517) 16.992 19.495 ( -2.991 0.928 -0.353) 3.152 19.516 ( -2.596 -1.110 -0.045) 2.824 ======================= Grid point 250 (138/144) ======================= q-point: ( 0.30 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -7.971 -2.367 3.186) 8.905 1.365 ( -4.998 -5.129 4.297) 8.351 1.945 ( 0.866 4.795 3.497) 5.997 2.050 ( -0.203 -4.274 4.199) 5.995 2.294 ( -3.868 6.499 -5.665) 9.450 2.469 ( -0.725 -8.696 -5.220) 10.169 2.794 ( 3.993 13.367 -0.303) 13.954 2.920 ( -2.849 0.262 -10.072) 10.470 3.065 ( 0.609 0.911 -1.114) 1.563 3.089 ( -0.127 0.376 -2.905) 2.932 3.183 ( 3.551 -3.009 -2.682) 5.372 3.335 ( 1.239 -8.944 -6.745) 11.270 3.527 ( 9.044 3.282 -0.955) 9.669 3.612 ( 8.260 -5.650 0.805) 10.040 3.849 ( 2.806 1.457 0.131) 3.164 3.879 ( 1.734 -0.875 -1.653) 2.550 4.206 ( 4.204 4.032 -4.338) 7.263 4.267 ( 1.953 -1.350 -1.392) 2.752 4.305 ( 1.618 1.525 1.009) 2.442 4.339 ( -1.340 -1.234 2.745) 3.294 4.765 ( 0.916 3.979 3.034) 5.087 4.838 ( 0.860 -3.066 2.669) 4.155 7.155 ( -7.974 7.066 2.023) 10.844 7.311 ( -7.742 -8.364 1.199) 11.460 7.720 ( 0.639 0.613 -2.667) 2.810 7.772 ( 0.334 -4.523 -5.774) 7.342 8.359 ( 6.276 2.207 4.577) 8.075 8.380 ( 7.444 0.118 3.663) 8.297 8.607 ( 5.138 3.892 0.165) 6.448 8.689 ( 5.242 -4.266 -0.850) 6.812 8.951 ( 4.070 2.911 -1.798) 5.317 8.997 ( 3.532 -1.389 -3.081) 4.889 9.214 ( 0.759 4.188 3.295) 5.383 9.276 ( 0.142 -2.018 2.121) 2.932 9.759 ( 4.175 3.345 2.095) 5.745 9.837 ( 2.589 -4.333 3.534) 6.161 10.423 ( -5.599 1.165 -1.609) 5.941 10.464 ( -6.423 -3.126 -1.697) 7.342 10.990 ( -1.632 1.799 0.705) 2.530 11.012 ( -1.406 -0.235 0.791) 1.630 12.987 ( -3.217 5.788 -0.598) 6.649 13.104 ( -3.613 -5.916 -0.705) 6.967 14.042 ( 4.481 3.305 2.534) 6.117 14.083 ( 5.543 0.575 4.297) 7.037 14.243 ( 4.355 2.534 -3.786) 6.302 14.364 ( 10.201 -8.025 -2.093) 13.147 15.669 ( -1.984 6.367 -0.706) 6.706 15.841 ( -3.306 -10.939 -0.974) 11.470 16.858 ( 4.521 2.586 -2.522) 5.787 16.921 ( 3.550 -3.608 -3.317) 6.052 17.986 ( -16.271 9.563 1.449) 18.929 18.123 ( -13.660 -4.274 4.477) 14.997 19.439 ( -2.358 1.114 -0.729) 2.707 19.466 ( -2.167 -1.550 -0.424) 2.698 ======================= Grid point 251 (139/144) ======================= q-point: ( 0.40 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( -5.939 -0.434 1.834) 6.231 1.280 ( -3.065 -9.561 0.950) 10.085 1.937 ( -1.376 1.411 -0.113) 1.974 2.008 ( -3.159 -5.746 1.130) 6.654 2.257 ( 0.491 6.970 -6.480) 9.530 2.419 ( -3.632 -8.415 -7.151) 11.625 2.806 ( -5.645 8.326 -4.627) 11.072 2.885 ( 3.531 5.638 -3.360) 7.453 3.047 ( -1.303 -3.431 -2.342) 4.354 3.096 ( 1.035 4.314 -1.915) 4.832 3.182 ( -2.066 -3.088 -2.854) 4.685 3.327 ( -0.512 -8.352 -2.520) 8.739 3.636 ( 2.245 6.023 0.351) 6.437 3.760 ( 5.853 -5.569 1.148) 8.160 3.906 ( 1.134 0.804 -0.540) 1.492 3.922 ( 3.309 -0.797 0.266) 3.414 4.241 ( 0.765 1.487 -0.458) 1.734 4.273 ( 0.234 -1.940 -0.478) 2.012 4.397 ( 5.471 1.497 1.411) 5.845 4.423 ( 5.207 -1.023 1.323) 5.469 4.804 ( 1.858 3.025 0.823) 3.645 4.860 ( 0.505 -2.454 0.107) 2.508 7.022 ( -4.837 6.991 1.642) 8.659 7.177 ( -5.000 -8.324 0.805) 9.744 7.726 ( 0.164 0.333 -1.245) 1.299 7.771 ( 0.275 -4.100 -4.710) 6.250 8.456 ( 2.884 3.241 3.327) 5.467 8.492 ( 3.254 -0.224 1.322) 3.520 8.701 ( 3.570 4.357 0.589) 5.663 8.786 ( 3.829 -4.103 0.131) 5.613 9.045 ( 4.807 1.729 -0.897) 5.187 9.070 ( 3.583 -0.583 -2.190) 4.239 9.225 ( -0.155 3.687 3.553) 5.123 9.278 ( -0.262 -1.646 2.231) 2.785 9.827 ( 2.070 2.540 2.123) 3.905 9.874 ( 0.425 -1.968 3.467) 4.009 10.320 ( -3.858 0.141 -1.524) 4.151 10.355 ( -3.408 -3.476 -2.469) 5.459 10.965 ( -0.870 2.235 0.960) 2.583 10.992 ( -0.684 -0.253 0.742) 1.041 12.933 ( -1.891 5.347 -0.390) 5.685 13.044 ( -2.125 -5.743 -0.460) 6.141 14.116 ( 2.477 2.978 0.411) 3.895 14.174 ( 2.588 -2.051 2.445) 4.108 14.339 ( 5.049 9.779 -1.617) 11.123 14.571 ( 9.348 -12.704 0.808) 15.793 15.610 ( -3.239 5.212 -0.199) 6.139 15.734 ( -6.387 -7.297 -0.540) 9.713 16.915 ( 1.240 1.485 -1.817) 2.654 16.958 ( 0.302 -2.554 -3.320) 4.200 17.725 ( -8.363 11.647 1.531) 14.420 17.922 ( -5.942 -8.087 1.656) 10.171 19.399 ( -1.389 1.178 -0.697) 1.950 19.429 ( -1.301 -1.765 -0.453) 2.239 ======================= Grid point 252 (140/144) ======================= q-point: (-0.50 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 2.799 0.759 -2.914) 4.111 1.277 ( 3.537 -11.459 -4.581) 12.837 1.912 ( -0.718 0.652 0.734) 1.216 1.958 ( -1.247 -3.943 0.776) 4.208 2.256 ( -0.653 0.934 -4.716) 4.851 2.324 ( -3.220 -5.241 -5.959) 8.564 2.705 ( -2.487 10.586 -0.686) 10.896 2.912 ( -0.886 -5.326 -1.944) 5.738 3.030 ( -0.259 2.231 -0.628) 2.332 3.112 ( 0.121 9.324 -1.698) 9.478 3.151 ( 0.458 -4.858 -2.542) 5.502 3.316 ( -0.264 -8.182 -0.729) 8.218 3.658 ( 0.202 8.170 0.404) 8.182 3.836 ( 1.097 -8.154 -0.144) 8.229 3.905 ( -1.851 2.438 2.512) 3.960 3.943 ( -1.656 -1.125 2.485) 3.191 4.241 ( -0.982 0.639 0.643) 1.337 4.273 ( -0.553 -2.499 -0.270) 2.574 4.472 ( 0.900 1.796 0.604) 2.098 4.500 ( 1.769 -1.061 -0.216) 2.075 4.831 ( 0.418 1.557 -0.138) 1.618 4.856 ( -0.269 -1.076 -0.984) 1.483 6.976 ( 0.326 6.673 1.012) 6.758 7.125 ( 0.052 -8.016 0.537) 8.034 7.721 ( -0.571 0.289 -0.001) 0.640 7.764 ( -0.430 -4.008 -3.527) 5.357 8.498 ( 0.977 2.977 1.897) 3.663 8.530 ( 0.670 -0.022 -0.798) 1.042 8.743 ( 0.313 4.672 0.285) 4.692 8.830 ( 0.298 -4.006 -0.265) 4.025 9.105 ( -0.348 0.848 -0.882) 1.272 9.109 ( 0.215 0.387 -0.905) 1.007 9.224 ( -0.268 3.581 3.607) 5.090 9.279 ( 0.257 -1.978 2.051) 2.861 9.851 ( -0.090 2.574 2.297) 3.451 9.886 ( 1.108 -1.024 1.369) 2.037 10.273 ( -0.429 0.300 -0.846) 0.995 10.320 ( 0.189 -4.358 -2.675) 5.117 10.957 ( -0.094 2.480 1.066) 2.701 10.986 ( 0.018 -0.286 0.686) 0.743 12.911 ( -0.130 5.156 -0.143) 5.160 13.019 ( -0.237 -5.588 -0.072) 5.594 14.142 ( 0.115 2.869 -0.330) 2.890 14.205 ( 0.565 -3.127 0.549) 3.224 14.406 ( 0.738 13.298 -1.156) 13.369 14.697 ( 1.374 -15.694 0.204) 15.756 15.557 ( -1.950 3.204 2.364) 4.433 15.625 ( -2.509 -3.666 2.296) 5.001 16.918 ( -0.391 0.207 -0.231) 0.499 16.935 ( -1.503 -1.464 -1.725) 2.716 17.658 ( 1.322 12.766 -0.533) 12.845 17.884 ( 2.027 -9.866 -1.811) 10.233 19.381 ( -0.243 1.238 -0.319) 1.301 19.413 ( -0.128 -1.924 -0.262) 1.946 ======================= Grid point 253 (141/144) ======================= q-point: (-0.40 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( 7.901 2.227 -5.245) 9.741 1.392 ( 7.631 -9.581 -8.496) 14.907 1.919 ( 1.666 3.632 4.049) 5.689 1.990 ( 4.209 -3.189 4.754) 7.105 2.203 ( -2.468 1.635 -4.997) 5.808 2.304 ( 0.710 -7.371 -0.556) 7.426 2.707 ( 1.545 6.679 3.388) 7.648 2.862 ( -3.528 -5.958 0.343) 6.932 3.021 ( -0.282 6.810 -1.606) 7.002 3.097 ( -1.043 10.859 -1.052) 10.960 3.176 ( 1.276 -7.233 -1.536) 7.504 3.306 ( -1.131 -8.643 0.013) 8.717 3.639 ( -2.740 6.902 0.013) 7.426 3.786 ( -5.699 -7.083 -1.293) 9.183 3.844 ( -4.103 2.089 4.883) 6.711 3.880 ( -4.577 -1.105 4.551) 6.548 4.205 ( -2.446 1.713 2.117) 3.661 4.254 ( -0.919 -3.104 1.216) 3.458 4.430 ( -4.394 2.750 -1.791) 5.484 4.482 ( -3.037 -2.392 -3.552) 5.250 4.821 ( -0.653 2.553 -0.576) 2.697 4.863 ( 0.633 -1.637 -0.062) 1.756 7.038 ( 5.338 6.441 0.319) 8.371 7.181 ( 5.198 -7.769 0.390) 9.355 7.704 ( -1.108 -0.120 1.218) 1.651 7.740 ( -1.488 -3.654 -2.261) 4.547 8.501 ( -0.998 2.275 0.173) 2.490 8.522 ( -1.234 0.341 -2.348) 2.674 8.713 ( -3.230 4.490 -0.528) 5.556 8.797 ( -3.444 -3.851 -0.916) 5.247 9.038 ( -5.272 1.423 -0.052) 5.461 9.057 ( -4.562 -0.422 -1.013) 4.693 9.230 ( 0.149 3.789 2.846) 4.742 9.292 ( 0.455 -2.428 1.404) 2.842 9.840 ( -1.371 4.162 1.105) 4.519 9.910 ( 0.246 -2.748 0.249) 2.770 10.303 ( 3.426 0.858 -0.239) 3.540 10.355 ( 3.769 -4.406 -2.257) 6.222 10.965 ( 0.735 2.522 0.970) 2.800 10.995 ( 0.785 -0.346 0.470) 0.978 12.928 ( 1.708 5.224 0.074) 5.497 13.035 ( 1.763 -5.483 0.339) 5.770 14.123 ( -1.810 3.600 -0.321) 4.042 14.203 ( -0.837 -4.015 0.292) 4.112 14.350 ( -5.540 11.915 -3.093) 13.499 14.605 ( -9.304 -13.219 -2.288) 16.327 15.551 ( 1.154 4.447 5.066) 6.839 15.662 ( 4.046 -6.729 6.018) 9.893 16.891 ( -2.513 0.509 0.628) 2.639 16.911 ( -0.967 -1.484 0.326) 1.801 17.765 ( 9.252 13.097 -2.028) 16.163 17.993 ( 9.005 -9.626 -4.411) 13.900 19.389 ( 1.015 1.341 0.206) 1.695 19.423 ( 1.092 -2.037 0.041) 2.311 ======================= Grid point 254 (142/144) ======================= q-point: (-0.30 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 3.575 4.192 -2.815) 6.186 1.522 ( 5.331 -8.521 -8.384) 13.089 1.994 ( 3.226 9.507 9.507) 13.827 2.129 ( 6.107 6.886 0.579) 9.222 2.184 ( 3.523 -6.466 -0.678) 7.395 2.323 ( 1.411 -8.407 -0.770) 8.559 2.737 ( 0.304 0.048 5.477) 5.486 2.770 ( -5.432 -0.898 1.844) 5.806 3.018 ( -0.537 6.362 0.246) 6.389 3.066 ( -2.167 10.201 0.197) 10.431 3.161 ( -3.408 -5.643 0.158) 6.594 3.263 ( -2.548 -8.301 1.161) 8.760 3.519 ( -8.829 3.867 0.232) 9.642 3.629 ( -9.544 -6.905 -1.350) 11.857 3.777 ( -2.273 1.350 6.405) 6.929 3.808 ( -1.927 -1.732 4.522) 5.212 4.145 ( -4.754 4.162 1.946) 6.612 4.225 ( -4.042 -3.567 1.909) 5.719 4.341 ( -1.487 4.163 -2.164) 4.921 4.416 ( -0.625 -3.017 -4.233) 5.236 4.818 ( 0.845 3.597 -1.490) 3.984 4.879 ( 1.400 -2.370 -0.808) 2.869 7.181 ( 8.163 6.377 -0.184) 10.361 7.323 ( 8.068 -7.676 0.146) 11.137 7.682 ( -1.208 -1.085 2.440) 2.931 7.700 ( -1.988 -2.727 -0.830) 3.476 8.447 ( -4.649 1.716 -2.509) 5.555 8.464 ( -4.198 0.092 -4.135) 5.894 8.611 ( -6.376 3.844 -0.832) 7.492 8.687 ( -6.751 -3.734 -1.113) 7.795 8.931 ( -4.292 1.883 0.268) 4.694 8.958 ( -4.213 -0.826 0.171) 4.296 9.232 ( -0.311 3.850 1.620) 4.188 9.297 ( -0.173 -2.556 0.702) 2.656 9.788 ( -3.736 4.743 -0.353) 6.048 9.880 ( -2.980 -4.397 -0.395) 5.326 10.402 ( 5.798 1.857 0.108) 6.090 10.462 ( 6.498 -4.230 -1.414) 7.881 10.991 ( 1.604 2.384 0.624) 2.940 11.020 ( 1.630 -0.460 0.082) 1.695 12.979 ( 3.188 5.578 0.116) 6.426 13.090 ( 3.461 -5.497 0.572) 6.521 14.074 ( -2.725 4.589 -0.173) 5.340 14.169 ( -3.760 -0.798 3.162) 4.977 14.202 ( -6.450 3.707 -6.662) 9.986 14.366 ( -12.548 -8.593 -2.804) 15.464 15.598 ( 1.903 5.566 5.695) 8.187 15.756 ( 3.251 -10.378 6.787) 12.819 16.820 ( -4.338 2.475 0.771) 5.053 16.877 ( -2.534 -3.183 0.568) 4.108 18.017 ( 14.785 13.227 -1.269) 19.879 18.233 ( 14.638 -8.432 -5.138) 17.656 19.423 ( 2.246 1.433 0.682) 2.750 19.457 ( 2.142 -1.910 0.336) 2.890 ======================= Grid point 255 (143/144) ======================= q-point: (-0.20 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( -0.498 5.566 0.389) 5.602 1.559 ( -0.531 -8.571 -5.418) 10.154 2.003 ( -4.226 11.084 8.573) 14.636 2.123 ( -4.196 1.521 -7.421) 8.659 2.349 ( 6.839 0.127 7.587) 10.215 2.423 ( 8.827 -5.225 -4.092) 11.044 2.662 ( -4.115 6.718 4.058) 8.862 2.764 ( 1.644 -4.444 7.058) 8.501 2.961 ( -5.271 2.773 1.631) 6.176 2.998 ( -4.394 0.731 3.367) 5.584 3.081 ( -2.431 2.329 -0.014) 3.367 3.219 ( -2.464 -8.241 0.274) 8.606 3.318 ( -9.745 2.873 -0.285) 10.164 3.413 ( -9.994 -5.112 0.559) 11.240 3.768 ( -0.476 0.507 6.278) 6.317 3.797 ( -1.126 -2.677 1.822) 3.428 4.008 ( -7.463 4.788 0.625) 8.889 4.094 ( -7.181 -3.482 1.406) 8.103 4.380 ( 3.801 5.694 0.560) 6.869 4.466 ( 4.090 -2.403 -0.372) 4.759 4.872 ( 5.261 4.465 -2.303) 7.274 4.948 ( 6.319 -2.846 -2.837) 7.488 7.351 ( 7.984 6.135 -0.428) 10.078 7.486 ( 6.766 -7.086 -0.462) 9.808 7.662 ( -1.148 -1.736 2.471) 3.231 7.670 ( -0.129 -2.399 1.559) 2.864 8.289 ( -9.546 2.380 -5.252) 11.153 8.331 ( -7.877 -1.672 -6.971) 10.651 8.477 ( -6.051 2.846 1.290) 6.810 8.544 ( -6.666 -3.717 0.758) 7.670 8.875 ( -1.334 1.813 -0.470) 2.300 8.897 ( -1.928 -0.283 1.226) 2.302 9.219 ( -1.131 4.231 -0.138) 4.382 9.289 ( -0.616 -2.813 0.212) 2.887 9.695 ( -4.856 4.853 -1.416) 7.010 9.803 ( -3.970 -5.926 -0.627) 7.160 10.523 ( 5.708 3.163 0.612) 6.554 10.597 ( 6.467 -4.372 -0.695) 7.838 11.028 ( 1.869 2.073 0.156) 2.796 11.058 ( 1.862 -0.691 -0.373) 2.021 13.054 ( 4.034 6.275 -0.102) 7.460 13.175 ( 4.689 -5.772 0.576) 7.459 14.014 ( -7.929 4.606 -0.893) 9.213 14.019 ( -2.730 5.414 -0.657) 6.098 14.107 ( -10.926 -4.606 -0.731) 11.880 14.141 ( -2.698 -6.673 -2.970) 7.786 15.629 ( 0.292 5.202 5.009) 7.227 15.795 ( -0.537 -11.429 5.855) 12.853 16.735 ( -3.544 3.652 -0.014) 5.089 16.819 ( -2.818 -4.781 -0.085) 5.551 18.326 ( 14.399 13.729 0.285) 19.897 18.537 ( 14.629 -7.620 -4.291) 17.044 19.481 ( 3.220 1.402 0.943) 3.637 19.509 ( 2.762 -1.370 0.533) 3.129 ======================= Grid point 256 (144/144) ======================= q-point: (-0.10 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( -1.294 4.467 2.317) 5.195 1.509 ( -2.669 -7.097 -4.344) 8.738 1.878 ( -7.390 8.382 5.326) 12.379 1.982 ( -7.672 -1.868 -3.075) 8.474 2.441 ( 1.873 7.139 2.621) 7.832 2.564 ( 3.771 -3.817 3.047) 6.170 2.638 ( 0.200 13.351 2.598) 13.603 2.836 ( 3.947 -4.800 3.492) 7.128 2.861 ( -3.701 3.363 -0.423) 5.018 2.934 ( -1.704 -6.398 1.258) 6.739 3.044 ( -3.096 -0.330 1.142) 3.317 3.129 ( -4.186 -8.007 -2.436) 9.357 3.196 ( -1.168 3.936 2.879) 5.015 3.294 ( -1.587 -4.361 3.106) 5.584 3.740 ( -3.308 -0.306 1.090) 3.496 3.750 ( -2.680 -0.580 1.214) 2.999 3.884 ( -4.127 5.066 1.460) 6.696 3.982 ( -3.547 -4.099 2.529) 5.982 4.450 ( 2.276 6.066 1.944) 6.764 4.528 ( 1.610 -1.283 1.553) 2.579 5.014 ( 7.501 5.993 -0.476) 9.613 5.113 ( 8.420 -3.446 -4.584) 10.188 7.474 ( 3.261 4.034 -0.266) 5.194 7.545 ( -0.115 -3.410 -0.778) 3.499 7.663 ( 1.218 0.384 2.562) 2.863 7.733 ( 5.111 -5.869 1.174) 7.870 8.091 ( -7.824 2.862 -4.430) 9.436 8.152 ( -7.619 -3.161 -6.415) 10.449 8.377 ( -3.675 1.484 1.656) 4.295 8.427 ( -4.506 -3.272 1.307) 5.720 8.857 ( -0.642 1.982 -0.364) 2.115 8.880 ( 0.002 -0.191 0.075) 0.205 9.189 ( -1.511 5.025 -1.376) 5.425 9.274 ( -0.769 -3.566 0.000) 3.648 9.602 ( -3.571 5.386 -1.604) 6.659 9.733 ( -2.561 -7.699 -0.418) 8.124 10.626 ( 3.924 4.220 1.130) 5.873 10.708 ( 4.082 -4.178 -0.444) 5.858 11.061 ( 1.213 1.439 -0.028) 1.882 11.087 ( 0.903 -0.976 -0.701) 1.503 13.135 ( 3.572 7.422 -0.591) 8.258 13.277 ( 4.879 -6.740 0.386) 8.329 13.863 ( -6.283 1.650 -1.168) 6.600 13.893 ( -8.580 -1.261 0.877) 8.716 13.981 ( -0.912 5.156 -2.108) 5.644 14.103 ( -1.151 -6.890 -1.113) 7.073 15.635 ( -0.051 2.991 3.772) 4.814 15.764 ( -2.517 -9.644 4.317) 10.862 16.686 ( -1.191 3.358 -0.860) 3.666 16.773 ( -1.431 -5.428 -0.689) 5.656 18.570 ( 8.662 13.754 1.100) 16.292 18.771 ( 7.886 -6.741 -2.576) 10.689 19.549 ( 2.959 0.939 0.863) 3.222 19.563 ( 2.151 -0.474 0.718) 2.317 =================== 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 3/26460 10.0 174.810 162.808 268.977 0.000 67.893 0.000 3/26460 20.0 28.680 29.720 40.160 0.000 6.978 0.000 3/26460 30.0 11.415 12.409 15.536 0.000 2.109 0.000 3/26460 40.0 6.757 7.492 8.927 0.000 1.069 0.000 3/26460 50.0 4.841 5.398 6.219 0.000 0.702 0.000 3/26460 60.0 3.823 4.263 4.800 0.000 0.527 0.000 3/26460 70.0 3.190 3.550 3.932 0.000 0.425 0.000 3/26460 80.0 2.755 3.058 3.348 0.000 0.358 0.000 3/26460 90.0 2.436 2.699 2.926 0.000 0.310 0.000 3/26460 100.0 2.191 2.425 2.608 0.000 0.274 0.000 3/26460 110.0 1.997 2.208 2.358 0.000 0.245 0.000 3/26460 120.0 1.839 2.033 2.157 0.000 0.222 0.000 3/26460 130.0 1.709 1.888 1.992 0.000 0.202 0.000 3/26460 140.0 1.599 1.767 1.853 0.000 0.186 0.000 3/26460 150.0 1.505 1.664 1.734 0.000 0.172 0.000 3/26460 160.0 1.424 1.574 1.632 0.000 0.159 0.000 3/26460 170.0 1.352 1.496 1.542 0.000 0.149 0.000 3/26460 180.0 1.289 1.427 1.463 0.000 0.139 0.000 3/26460 190.0 1.232 1.365 1.393 0.000 0.130 0.000 3/26460 200.0 1.181 1.309 1.329 0.000 0.123 0.000 3/26460 210.0 1.135 1.259 1.272 0.000 0.116 0.000 3/26460 220.0 1.092 1.213 1.220 0.000 0.110 0.000 3/26460 230.0 1.053 1.170 1.172 0.000 0.104 0.000 3/26460 240.0 1.017 1.131 1.128 0.000 0.099 0.000 3/26460 250.0 0.984 1.094 1.087 0.000 0.094 0.000 3/26460 260.0 0.952 1.060 1.050 0.000 0.090 0.000 3/26460 270.0 0.923 1.028 1.015 0.000 0.086 0.000 3/26460 280.0 0.896 0.998 0.982 0.000 0.082 0.000 3/26460 290.0 0.870 0.969 0.951 0.000 0.079 0.000 3/26460 300.0 0.845 0.943 0.923 0.000 0.076 0.000 3/26460 310.0 0.822 0.918 0.896 0.000 0.073 0.000 3/26460 320.0 0.801 0.894 0.870 0.000 0.070 0.000 3/26460 330.0 0.780 0.871 0.846 0.000 0.068 0.000 3/26460 340.0 0.760 0.849 0.823 0.000 0.066 0.000 3/26460 350.0 0.742 0.829 0.802 0.000 0.063 0.000 3/26460 360.0 0.724 0.809 0.781 0.000 0.061 0.000 3/26460 370.0 0.707 0.790 0.762 0.000 0.060 0.000 3/26460 380.0 0.690 0.772 0.743 0.000 0.058 0.000 3/26460 390.0 0.675 0.755 0.725 0.000 0.056 0.000 3/26460 400.0 0.660 0.739 0.709 0.000 0.054 0.000 3/26460 410.0 0.646 0.723 0.692 0.000 0.053 0.000 3/26460 420.0 0.632 0.708 0.677 0.000 0.051 0.000 3/26460 430.0 0.619 0.693 0.662 0.000 0.050 0.000 3/26460 440.0 0.606 0.679 0.648 0.000 0.049 0.000 3/26460 450.0 0.594 0.666 0.635 0.000 0.048 0.000 3/26460 460.0 0.583 0.653 0.622 0.000 0.046 0.000 3/26460 470.0 0.571 0.640 0.609 0.000 0.045 0.000 3/26460 480.0 0.561 0.628 0.597 0.000 0.044 0.000 3/26460 490.0 0.550 0.617 0.586 0.000 0.043 0.000 3/26460 500.0 0.540 0.606 0.575 0.000 0.042 0.000 3/26460 510.0 0.530 0.595 0.564 0.000 0.041 0.000 3/26460 520.0 0.521 0.585 0.554 0.000 0.041 0.000 3/26460 530.0 0.512 0.574 0.544 0.000 0.040 0.000 3/26460 540.0 0.503 0.565 0.534 0.000 0.039 0.000 3/26460 550.0 0.495 0.555 0.525 0.000 0.038 0.000 3/26460 560.0 0.487 0.546 0.516 0.000 0.037 0.000 3/26460 570.0 0.479 0.537 0.507 0.000 0.037 0.000 3/26460 580.0 0.471 0.529 0.499 0.000 0.036 0.000 3/26460 590.0 0.464 0.520 0.491 0.000 0.035 0.000 3/26460 600.0 0.456 0.512 0.483 0.000 0.035 0.000 3/26460 610.0 0.449 0.504 0.475 0.000 0.034 0.000 3/26460 620.0 0.442 0.497 0.468 0.000 0.033 0.000 3/26460 630.0 0.436 0.490 0.461 0.000 0.033 0.000 3/26460 640.0 0.429 0.482 0.454 0.000 0.032 0.000 3/26460 650.0 0.423 0.475 0.447 0.000 0.032 0.000 3/26460 660.0 0.417 0.469 0.440 0.000 0.031 0.000 3/26460 670.0 0.411 0.462 0.434 0.000 0.031 0.000 3/26460 680.0 0.406 0.456 0.428 0.000 0.030 0.000 3/26460 690.0 0.400 0.449 0.422 0.000 0.030 0.000 3/26460 700.0 0.395 0.443 0.416 0.000 0.029 0.000 3/26460 710.0 0.389 0.437 0.410 0.000 0.029 0.000 3/26460 720.0 0.384 0.432 0.405 0.000 0.028 0.000 3/26460 730.0 0.379 0.426 0.399 0.000 0.028 0.000 3/26460 740.0 0.374 0.421 0.394 0.000 0.028 0.000 3/26460 750.0 0.369 0.415 0.389 0.000 0.027 0.000 3/26460 760.0 0.365 0.410 0.384 0.000 0.027 0.000 3/26460 770.0 0.360 0.405 0.379 0.000 0.027 0.000 3/26460 780.0 0.356 0.400 0.374 0.000 0.026 0.000 3/26460 790.0 0.351 0.395 0.370 0.000 0.026 0.000 3/26460 800.0 0.347 0.390 0.365 0.000 0.025 0.000 3/26460 810.0 0.343 0.386 0.361 0.000 0.025 0.000 3/26460 820.0 0.339 0.381 0.357 0.000 0.025 0.000 3/26460 830.0 0.335 0.377 0.352 0.000 0.024 0.000 3/26460 840.0 0.331 0.373 0.348 0.000 0.024 0.000 3/26460 850.0 0.328 0.368 0.344 0.000 0.024 0.000 3/26460 860.0 0.324 0.364 0.340 0.000 0.024 0.000 3/26460 870.0 0.320 0.360 0.336 0.000 0.023 0.000 3/26460 880.0 0.317 0.356 0.333 0.000 0.023 0.000 3/26460 890.0 0.313 0.352 0.329 0.000 0.023 0.000 3/26460 900.0 0.310 0.349 0.325 0.000 0.023 0.000 3/26460 910.0 0.307 0.345 0.322 0.000 0.022 0.000 3/26460 920.0 0.303 0.341 0.319 0.000 0.022 0.000 3/26460 930.0 0.300 0.338 0.315 0.000 0.022 0.000 3/26460 940.0 0.297 0.334 0.312 0.000 0.022 0.000 3/26460 950.0 0.294 0.331 0.309 0.000 0.021 0.000 3/26460 960.0 0.291 0.327 0.305 0.000 0.021 0.000 3/26460 970.0 0.288 0.324 0.302 0.000 0.021 0.000 3/26460 980.0 0.285 0.321 0.299 0.000 0.021 0.000 3/26460 990.0 0.283 0.318 0.296 0.000 0.020 0.000 3/26460 1000.0 0.280 0.315 0.293 0.000 0.020 0.000 3/26460 Thermal conductivity related properties were written into "kappa-m1077.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:55:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|