----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:03:04]------------------------- 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 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.042319810597937 0.000000000000000 0.000000000000000 b 0.000000000000000 4.964461260000000 0.000000000000000 c -0.005691073130203 0.000000000000000 9.942806335005816 Atomic positions (fractional): *1 Be 0.99894900841908 0.84171018039899 0.08793493743426 9.012 2 Be 0.00105099158092 0.34171018039899 0.41206506256574 9.012 3 Be 0.00105099158092 0.15828981960101 0.91206506256574 9.012 4 Be 0.99894900841908 0.65828981960101 0.58793493743426 9.012 *5 O 0.06168770083573 0.83338307614262 0.92579413495080 15.999 *6 O 0.81445667318593 0.83681338838559 0.62055153393846 15.999 7 O 0.18554332681407 0.33681338838558 0.87944846606154 15.999 8 O 0.18554332681407 0.16318661161442 0.37944846606154 15.999 9 O 0.81445667318593 0.66318661161441 0.12055153393846 15.999 *10 O 0.44071457166929 0.76437896075764 0.37565796258512 15.999 11 O 0.93831229916427 0.33338307614262 0.57420586504920 15.999 12 O 0.93831229916427 0.16661692385738 0.07420586504920 15.999 13 O 0.06168770083573 0.66661692385738 0.42579413495080 15.999 *14 O 0.18230212652348 0.70721418517615 0.68072854724093 15.999 15 O 0.81769787347652 0.20721418517615 0.81927145275907 15.999 16 O 0.81769787347652 0.29278581482385 0.31927145275907 15.999 17 O 0.55928542833071 0.23562103924236 0.62434203741488 15.999 18 O 0.55928542833071 0.26437896075764 0.12434203741488 15.999 19 O 0.44071457166929 0.73562103924236 0.87565796258512 15.999 20 O 0.18230212652348 0.79278581482385 0.18072854724093 15.999 *21 Na 0.50151007550276 0.20855791316564 0.89018986287235 22.990 *22 Na 0.76512533207566 0.68202786477985 0.85942475674369 22.990 23 Na 0.23487466792434 0.18202786477985 0.64057524325631 22.990 24 Na 0.23487466792434 0.31797213522015 0.14057524325631 22.990 25 Na 0.76512533207566 0.81797213522015 0.35942475674369 22.990 26 Na 0.49848992449724 0.70855791316564 0.60981013712765 22.990 27 Na 0.50151007550276 0.29144208683436 0.39018986287235 22.990 28 Na 0.49848992449724 0.79144208683436 0.10981013712765 22.990 *29 Si 0.22223558794304 0.84376417479130 0.34219869784058 28.085 30 Si 0.22223558794304 0.65623582520870 0.84219869784058 28.085 31 Si 0.77776441205696 0.15623582520870 0.65780130215942 28.085 32 Si 0.77776441205696 0.34376417479130 0.15780130215942 28.085 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.042319810597937 0.000000000000000 0.000000000000000 b 0.000000000000000 4.964461260000000 0.000000000000000 c -0.005691073130203 0.000000000000000 9.942806335005816 Atomic positions (fractional): *1 Be 0.99894900841908 0.84171018039899 0.08793493743426 9.012 > 1 2 Be 0.00105099158092 0.34171018039899 0.41206506256574 9.012 > 2 3 Be 0.00105099158092 0.15828981960101 0.91206506256574 9.012 > 3 4 Be 0.99894900841908 0.65828981960101 0.58793493743426 9.012 > 4 *5 O 0.06168770083573 0.83338307614262 0.92579413495080 15.999 > 5 *6 O 0.81445667318593 0.83681338838559 0.62055153393846 15.999 > 6 7 O 0.18554332681407 0.33681338838558 0.87944846606154 15.999 > 7 8 O 0.18554332681407 0.16318661161442 0.37944846606154 15.999 > 8 9 O 0.81445667318593 0.66318661161441 0.12055153393846 15.999 > 9 *10 O 0.44071457166929 0.76437896075764 0.37565796258512 15.999 > 10 11 O 0.93831229916427 0.33338307614262 0.57420586504920 15.999 > 11 12 O 0.93831229916427 0.16661692385738 0.07420586504920 15.999 > 12 13 O 0.06168770083573 0.66661692385738 0.42579413495080 15.999 > 13 *14 O 0.18230212652348 0.70721418517615 0.68072854724093 15.999 > 14 15 O 0.81769787347652 0.20721418517615 0.81927145275907 15.999 > 15 16 O 0.81769787347652 0.29278581482385 0.31927145275907 15.999 > 16 17 O 0.55928542833071 0.23562103924236 0.62434203741488 15.999 > 17 18 O 0.55928542833071 0.26437896075764 0.12434203741488 15.999 > 18 19 O 0.44071457166929 0.73562103924236 0.87565796258512 15.999 > 19 20 O 0.18230212652348 0.79278581482385 0.18072854724093 15.999 > 20 *21 Na 0.50151007550276 0.20855791316564 0.89018986287235 22.990 > 21 *22 Na 0.76512533207566 0.68202786477985 0.85942475674369 22.990 > 22 23 Na 0.23487466792434 0.18202786477985 0.64057524325631 22.990 > 23 24 Na 0.23487466792434 0.31797213522015 0.14057524325631 22.990 > 24 25 Na 0.76512533207566 0.81797213522015 0.35942475674369 22.990 > 25 26 Na 0.49848992449724 0.70855791316564 0.60981013712765 22.990 > 26 27 Na 0.50151007550276 0.29144208683436 0.39018986287235 22.990 > 27 28 Na 0.49848992449724 0.79144208683436 0.10981013712765 22.990 > 28 *29 Si 0.22223558794304 0.84376417479130 0.34219869784058 28.085 > 29 30 Si 0.22223558794304 0.65623582520870 0.84219869784058 28.085 > 30 31 Si 0.77776441205696 0.15623582520870 0.65780130215942 28.085 > 31 32 Si 0.77776441205696 0.34376417479130 0.15780130215942 28.085 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.084639621195874 0.000000000000000 0.000000000000000 b 0.000000000000000 9.928922520000000 0.000000000000000 c -0.005691073130203 0.000000000000000 9.942806335005816 Atomic positions (fractional): *1 Be 0.49947450420954 0.42085509019949 0.08793493743426 9.012 > 1 2 Be 0.99947450420954 0.42085509019949 0.08793493743426 9.012 > 1 3 Be 0.49947450420954 0.92085509019949 0.08793493743426 9.012 > 1 4 Be 0.99947450420954 0.92085509019949 0.08793493743426 9.012 > 1 5 Be 0.00052549579046 0.17085509019949 0.41206506256574 9.012 > 2 6 Be 0.50052549579046 0.17085509019949 0.41206506256574 9.012 > 2 7 Be 0.00052549579046 0.67085509019949 0.41206506256574 9.012 > 2 8 Be 0.50052549579046 0.67085509019949 0.41206506256574 9.012 > 2 9 Be 0.00052549579046 0.07914490980051 0.91206506256574 9.012 > 3 10 Be 0.50052549579046 0.07914490980051 0.91206506256574 9.012 > 3 11 Be 0.00052549579046 0.57914490980051 0.91206506256574 9.012 > 3 12 Be 0.50052549579046 0.57914490980051 0.91206506256574 9.012 > 3 13 Be 0.49947450420954 0.32914490980051 0.58793493743426 9.012 > 4 14 Be 0.99947450420954 0.32914490980051 0.58793493743426 9.012 > 4 15 Be 0.49947450420954 0.82914490980051 0.58793493743426 9.012 > 4 16 Be 0.99947450420954 0.82914490980051 0.58793493743426 9.012 > 4 *17 O 0.03084385041787 0.41669153807131 0.92579413495080 15.999 > 5 18 O 0.53084385041787 0.41669153807131 0.92579413495080 15.999 > 5 19 O 0.03084385041787 0.91669153807131 0.92579413495080 15.999 > 5 20 O 0.53084385041787 0.91669153807131 0.92579413495080 15.999 > 5 *21 O 0.40722833659296 0.41840669419279 0.62055153393846 15.999 > 6 22 O 0.90722833659296 0.41840669419279 0.62055153393846 15.999 > 6 23 O 0.40722833659296 0.91840669419279 0.62055153393846 15.999 > 6 24 O 0.90722833659296 0.91840669419279 0.62055153393846 15.999 > 6 25 O 0.09277166340704 0.16840669419279 0.87944846606154 15.999 > 7 26 O 0.59277166340704 0.16840669419279 0.87944846606154 15.999 > 7 27 O 0.09277166340704 0.66840669419279 0.87944846606154 15.999 > 7 28 O 0.59277166340704 0.66840669419279 0.87944846606154 15.999 > 7 29 O 0.09277166340704 0.08159330580721 0.37944846606154 15.999 > 8 30 O 0.59277166340704 0.08159330580721 0.37944846606154 15.999 > 8 31 O 0.09277166340704 0.58159330580721 0.37944846606154 15.999 > 8 32 O 0.59277166340704 0.58159330580721 0.37944846606154 15.999 > 8 33 O 0.40722833659296 0.33159330580721 0.12055153393846 15.999 > 9 34 O 0.90722833659296 0.33159330580721 0.12055153393846 15.999 > 9 35 O 0.40722833659296 0.83159330580721 0.12055153393846 15.999 > 9 36 O 0.90722833659296 0.83159330580721 0.12055153393846 15.999 > 9 *37 O 0.22035728583465 0.38218948037882 0.37565796258512 15.999 > 10 38 O 0.72035728583464 0.38218948037882 0.37565796258512 15.999 > 10 39 O 0.22035728583465 0.88218948037882 0.37565796258512 15.999 > 10 40 O 0.72035728583464 0.88218948037882 0.37565796258512 15.999 > 10 41 O 0.46915614958213 0.16669153807131 0.57420586504920 15.999 > 11 42 O 0.96915614958214 0.16669153807131 0.57420586504920 15.999 > 11 43 O 0.46915614958213 0.66669153807131 0.57420586504920 15.999 > 11 44 O 0.96915614958214 0.66669153807131 0.57420586504920 15.999 > 11 45 O 0.46915614958213 0.08330846192869 0.07420586504920 15.999 > 12 46 O 0.96915614958214 0.08330846192869 0.07420586504920 15.999 > 12 47 O 0.46915614958213 0.58330846192869 0.07420586504920 15.999 > 12 48 O 0.96915614958214 0.58330846192869 0.07420586504920 15.999 > 12 49 O 0.03084385041787 0.33330846192869 0.42579413495080 15.999 > 13 50 O 0.53084385041787 0.33330846192869 0.42579413495080 15.999 > 13 51 O 0.03084385041787 0.83330846192869 0.42579413495080 15.999 > 13 52 O 0.53084385041787 0.83330846192869 0.42579413495080 15.999 > 13 *53 O 0.09115106326174 0.35360709258808 0.68072854724093 15.999 > 14 54 O 0.59115106326174 0.35360709258808 0.68072854724093 15.999 > 14 55 O 0.09115106326174 0.85360709258808 0.68072854724093 15.999 > 14 56 O 0.59115106326174 0.85360709258808 0.68072854724093 15.999 > 14 57 O 0.40884893673826 0.10360709258808 0.81927145275907 15.999 > 15 58 O 0.90884893673826 0.10360709258808 0.81927145275907 15.999 > 15 59 O 0.40884893673826 0.60360709258808 0.81927145275907 15.999 > 15 60 O 0.90884893673826 0.60360709258808 0.81927145275907 15.999 > 15 61 O 0.40884893673826 0.14639290741192 0.31927145275907 15.999 > 16 62 O 0.90884893673826 0.14639290741192 0.31927145275907 15.999 > 16 63 O 0.40884893673826 0.64639290741192 0.31927145275907 15.999 > 16 64 O 0.90884893673826 0.64639290741192 0.31927145275907 15.999 > 16 65 O 0.27964271416536 0.11781051962118 0.62434203741488 15.999 > 17 66 O 0.77964271416536 0.11781051962118 0.62434203741488 15.999 > 17 67 O 0.27964271416536 0.61781051962118 0.62434203741488 15.999 > 17 68 O 0.77964271416536 0.61781051962118 0.62434203741488 15.999 > 17 69 O 0.27964271416536 0.13218948037882 0.12434203741488 15.999 > 18 70 O 0.77964271416536 0.13218948037882 0.12434203741488 15.999 > 18 71 O 0.27964271416536 0.63218948037882 0.12434203741488 15.999 > 18 72 O 0.77964271416536 0.63218948037882 0.12434203741488 15.999 > 18 73 O 0.22035728583465 0.36781051962118 0.87565796258512 15.999 > 19 74 O 0.72035728583464 0.36781051962118 0.87565796258512 15.999 > 19 75 O 0.22035728583465 0.86781051962118 0.87565796258512 15.999 > 19 76 O 0.72035728583464 0.86781051962118 0.87565796258512 15.999 > 19 77 O 0.09115106326174 0.39639290741192 0.18072854724093 15.999 > 20 78 O 0.59115106326174 0.39639290741192 0.18072854724093 15.999 > 20 79 O 0.09115106326174 0.89639290741192 0.18072854724093 15.999 > 20 80 O 0.59115106326174 0.89639290741192 0.18072854724093 15.999 > 20 *81 Na 0.25075503775138 0.10427895658282 0.89018986287235 22.990 > 21 82 Na 0.75075503775138 0.10427895658282 0.89018986287235 22.990 > 21 83 Na 0.25075503775138 0.60427895658282 0.89018986287235 22.990 > 21 84 Na 0.75075503775138 0.60427895658282 0.89018986287235 22.990 > 21 *85 Na 0.38256266603783 0.34101393238993 0.85942475674369 22.990 > 22 86 Na 0.88256266603783 0.34101393238993 0.85942475674369 22.990 > 22 87 Na 0.38256266603783 0.84101393238993 0.85942475674369 22.990 > 22 88 Na 0.88256266603783 0.84101393238993 0.85942475674369 22.990 > 22 89 Na 0.11743733396217 0.09101393238993 0.64057524325631 22.990 > 23 90 Na 0.61743733396217 0.09101393238993 0.64057524325631 22.990 > 23 91 Na 0.11743733396217 0.59101393238993 0.64057524325631 22.990 > 23 92 Na 0.61743733396217 0.59101393238993 0.64057524325631 22.990 > 23 93 Na 0.11743733396217 0.15898606761007 0.14057524325631 22.990 > 24 94 Na 0.61743733396217 0.15898606761007 0.14057524325631 22.990 > 24 95 Na 0.11743733396217 0.65898606761007 0.14057524325631 22.990 > 24 96 Na 0.61743733396217 0.65898606761007 0.14057524325631 22.990 > 24 97 Na 0.38256266603783 0.40898606761007 0.35942475674369 22.990 > 25 98 Na 0.88256266603783 0.40898606761007 0.35942475674369 22.990 > 25 99 Na 0.38256266603783 0.90898606761007 0.35942475674369 22.990 > 25 100 Na 0.88256266603783 0.90898606761007 0.35942475674369 22.990 > 25 101 Na 0.24924496224862 0.35427895658282 0.60981013712765 22.990 > 26 102 Na 0.74924496224862 0.35427895658282 0.60981013712765 22.990 > 26 103 Na 0.24924496224862 0.85427895658282 0.60981013712765 22.990 > 26 104 Na 0.74924496224862 0.85427895658282 0.60981013712765 22.990 > 26 105 Na 0.25075503775138 0.14572104341718 0.39018986287235 22.990 > 27 106 Na 0.75075503775138 0.14572104341718 0.39018986287235 22.990 > 27 107 Na 0.25075503775138 0.64572104341718 0.39018986287235 22.990 > 27 108 Na 0.75075503775138 0.64572104341718 0.39018986287235 22.990 > 27 109 Na 0.24924496224862 0.39572104341718 0.10981013712765 22.990 > 28 110 Na 0.74924496224862 0.39572104341718 0.10981013712765 22.990 > 28 111 Na 0.24924496224862 0.89572104341718 0.10981013712765 22.990 > 28 112 Na 0.74924496224862 0.89572104341718 0.10981013712765 22.990 > 28 *113 Si 0.11111779397152 0.42188208739565 0.34219869784058 28.085 > 29 114 Si 0.61111779397152 0.42188208739565 0.34219869784058 28.085 > 29 115 Si 0.11111779397152 0.92188208739565 0.34219869784058 28.085 > 29 116 Si 0.61111779397152 0.92188208739565 0.34219869784058 28.085 > 29 117 Si 0.11111779397152 0.32811791260435 0.84219869784058 28.085 > 30 118 Si 0.61111779397152 0.32811791260435 0.84219869784058 28.085 > 30 119 Si 0.11111779397152 0.82811791260435 0.84219869784058 28.085 > 30 120 Si 0.61111779397152 0.82811791260435 0.84219869784058 28.085 > 30 121 Si 0.38888220602848 0.07811791260435 0.65780130215942 28.085 > 31 122 Si 0.88888220602848 0.07811791260435 0.65780130215942 28.085 > 31 123 Si 0.38888220602848 0.57811791260435 0.65780130215942 28.085 > 31 124 Si 0.88888220602848 0.57811791260435 0.65780130215942 28.085 > 31 125 Si 0.38888220602848 0.17188208739565 0.15780130215942 28.085 > 32 126 Si 0.88888220602848 0.17188208739565 0.15780130215942 28.085 > 32 127 Si 0.38888220602848 0.67188208739565 0.15780130215942 28.085 > 32 128 Si 0.88888220602848 0.67188208739565 0.15780130215942 28.085 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6119587 0.0000000 -0.0133434 0.0000000 2.6453366 0.0000000 -0.0133368 0.0000000 2.6388662 -------------------------- Born effective charges -------------------------- 1 Be 1.7351977 -0.0354780 -0.0483167 0.1817149 1.8625900 -0.1442827 0.1075102 -0.1676224 1.9146050 2 Be 1.7351977 0.0354780 -0.0483167 -0.1817149 1.8625900 0.1442827 0.1075102 0.1676224 1.9146050 3 Be 1.7351977 -0.0354780 -0.0483167 0.1817149 1.8625900 -0.1442827 0.1075102 -0.1676224 1.9146050 4 Be 1.7351977 0.0354780 -0.0483167 -0.1817149 1.8625900 0.1442827 0.1075102 0.1676224 1.9146050 5 O -1.5484621 0.4459214 0.4112324 0.4470439 -1.8969761 -0.2145102 0.4257454 -0.2130864 -1.8811077 6 O -1.5906053 0.3706133 0.0842314 0.4638425 -2.2099692 -0.2295072 0.1160640 -0.2570469 -1.3185423 7 O -1.5906053 -0.3706133 0.0842314 -0.4638425 -2.2099692 0.2295072 0.1160640 0.2570469 -1.3185423 8 O -1.5906053 0.3706133 0.0842314 0.4638425 -2.2099692 -0.2295072 0.1160640 -0.2570469 -1.3185423 9 O -1.5906053 -0.3706133 0.0842314 -0.4638425 -2.2099692 0.2295072 0.1160640 0.2570469 -1.3185423 10 O -2.0768362 0.1730422 -0.1272906 0.1524076 -1.4116866 0.0219551 -0.1018960 0.0259251 -1.3914198 11 O -1.5484621 -0.4459214 0.4112324 -0.4470439 -1.8969761 0.2145102 0.4257454 0.2130864 -1.8811077 12 O -1.5484621 0.4459214 0.4112324 0.4470439 -1.8969761 -0.2145102 0.4257454 -0.2130864 -1.8811077 13 O -1.5484621 -0.4459214 0.4112324 -0.4470439 -1.8969761 0.2145102 0.4257454 0.2130864 -1.8811077 14 O -1.5961855 -0.0496973 -0.3816297 0.0144669 -1.2813030 0.0663002 -0.4664195 0.0618751 -2.2194205 15 O -1.5961855 0.0496973 -0.3816297 -0.0144669 -1.2813030 -0.0663002 -0.4664195 -0.0618751 -2.2194205 16 O -1.5961855 -0.0496973 -0.3816297 0.0144669 -1.2813030 0.0663002 -0.4664195 0.0618751 -2.2194205 17 O -2.0768362 0.1730422 -0.1272906 0.1524076 -1.4116866 0.0219551 -0.1018960 0.0259251 -1.3914198 18 O -2.0768362 -0.1730422 -0.1272906 -0.1524076 -1.4116866 -0.0219551 -0.1018960 -0.0259251 -1.3914198 19 O -2.0768362 -0.1730422 -0.1272906 -0.1524076 -1.4116866 -0.0219551 -0.1018960 -0.0259251 -1.3914198 20 O -1.5961855 0.0496973 -0.3816297 -0.0144669 -1.2813030 -0.0663002 -0.4664195 -0.0618751 -2.2194205 21 Na 1.0677637 -0.0099092 -0.0009907 -0.0371359 1.0235357 0.0186596 -0.0208008 0.0138933 1.0251978 22 Na 1.0949074 0.0095569 -0.0023269 0.0209424 1.0855020 -0.0554805 0.0049904 -0.0231853 1.0924866 23 Na 1.0949074 -0.0095569 -0.0023269 -0.0209424 1.0855020 0.0554805 0.0049904 0.0231853 1.0924866 24 Na 1.0949074 0.0095569 -0.0023269 0.0209424 1.0855020 -0.0554805 0.0049904 -0.0231853 1.0924866 25 Na 1.0949074 -0.0095569 -0.0023269 -0.0209424 1.0855020 0.0554805 0.0049904 0.0231853 1.0924866 26 Na 1.0677637 0.0099092 -0.0009907 0.0371359 1.0235357 -0.0186596 -0.0208008 -0.0138933 1.0251978 27 Na 1.0677637 0.0099092 -0.0009907 0.0371359 1.0235357 -0.0186596 -0.0208008 -0.0138933 1.0251978 28 Na 1.0677637 -0.0099092 -0.0009907 -0.0371359 1.0235357 0.0186596 -0.0208008 0.0138933 1.0251978 29 Si 2.9142205 -0.0720399 0.0650908 0.0513825 2.8283073 -0.0219667 -0.0651938 -0.0156194 2.7782010 30 Si 2.9142205 0.0720399 0.0650908 -0.0513825 2.8283073 0.0219667 -0.0651938 0.0156194 2.7782010 31 Si 2.9142205 -0.0720399 0.0650908 0.0513825 2.8283073 -0.0219667 -0.0651938 -0.0156194 2.7782010 32 Si 2.9142205 0.0720399 0.0650908 -0.0513825 2.8283073 0.0219667 -0.0651938 0.0156194 2.7782010 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4752 Number of blocks in projector: 4752 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: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 258 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 258 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4752, 4681), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 258), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 258), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 960 - Time: 1.910 Solver_block: 200 / 960 - Time: 1.487 Solver_block: 300 / 960 - Time: 3.015 Solver_block: 400 / 960 - Time: 2.490 Solver_block: 500 / 960 - Time: 1.518 Solver_block: 600 / 960 - Time: 1.779 Solver_block: 700 / 960 - Time: 3.756 Solver_block: 800 / 960 - Time: 2.100 Solver_block: 900 / 960 - Time: 1.506 Solver_block: 960 / 960 - Time: 0.999 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 21.410 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4752 Number of blocks in projector: 4752 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: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 258 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 258 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4752, 4681), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 258), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 258), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 03:04:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:04:38]------------------------- 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 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.042319810597937 0.000000000000000 0.000000000000000 b 0.000000000000000 4.964461260000000 0.000000000000000 c -0.005691073130203 0.000000000000000 9.942806335005816 Atomic positions (fractional): 1 Be 0.99894900841908 0.84171018039899 0.08793493743426 9.012 2 Be 0.00105099158092 0.34171018039899 0.41206506256574 9.012 3 Be 0.00105099158092 0.15828981960101 0.91206506256574 9.012 4 Be 0.99894900841908 0.65828981960101 0.58793493743426 9.012 5 O 0.06168770083573 0.83338307614262 0.92579413495080 15.999 6 O 0.81445667318593 0.83681338838559 0.62055153393846 15.999 7 O 0.18554332681407 0.33681338838558 0.87944846606154 15.999 8 O 0.18554332681407 0.16318661161442 0.37944846606154 15.999 9 O 0.81445667318593 0.66318661161441 0.12055153393846 15.999 10 O 0.44071457166929 0.76437896075764 0.37565796258512 15.999 11 O 0.93831229916427 0.33338307614262 0.57420586504920 15.999 12 O 0.93831229916427 0.16661692385738 0.07420586504920 15.999 13 O 0.06168770083573 0.66661692385738 0.42579413495080 15.999 14 O 0.18230212652348 0.70721418517615 0.68072854724093 15.999 15 O 0.81769787347652 0.20721418517615 0.81927145275907 15.999 16 O 0.81769787347652 0.29278581482385 0.31927145275907 15.999 17 O 0.55928542833071 0.23562103924236 0.62434203741488 15.999 18 O 0.55928542833071 0.26437896075764 0.12434203741488 15.999 19 O 0.44071457166929 0.73562103924236 0.87565796258512 15.999 20 O 0.18230212652348 0.79278581482385 0.18072854724093 15.999 21 Na 0.50151007550276 0.20855791316564 0.89018986287235 22.990 22 Na 0.76512533207566 0.68202786477985 0.85942475674369 22.990 23 Na 0.23487466792434 0.18202786477985 0.64057524325631 22.990 24 Na 0.23487466792434 0.31797213522015 0.14057524325631 22.990 25 Na 0.76512533207566 0.81797213522015 0.35942475674369 22.990 26 Na 0.49848992449724 0.70855791316564 0.60981013712765 22.990 27 Na 0.50151007550276 0.29144208683436 0.39018986287235 22.990 28 Na 0.49848992449724 0.79144208683436 0.10981013712765 22.990 29 Si 0.22223558794304 0.84376417479130 0.34219869784058 28.085 30 Si 0.22223558794304 0.65623582520870 0.84219869784058 28.085 31 Si 0.77776441205696 0.15623582520870 0.65780130215942 28.085 32 Si 0.77776441205696 0.34376417479130 0.15780130215942 28.085 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.084639621195874 0.000000000000000 0.000000000000000 b 0.000000000000000 9.928922520000000 0.000000000000000 c -0.005691073130203 0.000000000000000 9.942806335005816 Atomic positions (fractional): 1 Be 0.49947450420954 0.42085509019949 0.08793493743426 9.012 > 1 2 Be 0.99947450420954 0.42085509019949 0.08793493743426 9.012 > 1 3 Be 0.49947450420954 0.92085509019949 0.08793493743426 9.012 > 1 4 Be 0.99947450420954 0.92085509019949 0.08793493743426 9.012 > 1 5 Be 0.00052549579046 0.17085509019949 0.41206506256574 9.012 > 5 6 Be 0.50052549579046 0.17085509019949 0.41206506256574 9.012 > 5 7 Be 0.00052549579046 0.67085509019949 0.41206506256574 9.012 > 5 8 Be 0.50052549579046 0.67085509019949 0.41206506256574 9.012 > 5 9 Be 0.00052549579046 0.07914490980051 0.91206506256574 9.012 > 9 10 Be 0.50052549579046 0.07914490980051 0.91206506256574 9.012 > 9 11 Be 0.00052549579046 0.57914490980051 0.91206506256574 9.012 > 9 12 Be 0.50052549579046 0.57914490980051 0.91206506256574 9.012 > 9 13 Be 0.49947450420954 0.32914490980051 0.58793493743426 9.012 > 13 14 Be 0.99947450420954 0.32914490980051 0.58793493743426 9.012 > 13 15 Be 0.49947450420954 0.82914490980051 0.58793493743426 9.012 > 13 16 Be 0.99947450420954 0.82914490980051 0.58793493743426 9.012 > 13 17 O 0.03084385041787 0.41669153807131 0.92579413495080 15.999 > 17 18 O 0.53084385041787 0.41669153807131 0.92579413495080 15.999 > 17 19 O 0.03084385041787 0.91669153807131 0.92579413495080 15.999 > 17 20 O 0.53084385041787 0.91669153807131 0.92579413495080 15.999 > 17 21 O 0.40722833659296 0.41840669419279 0.62055153393846 15.999 > 21 22 O 0.90722833659296 0.41840669419279 0.62055153393846 15.999 > 21 23 O 0.40722833659296 0.91840669419279 0.62055153393846 15.999 > 21 24 O 0.90722833659296 0.91840669419279 0.62055153393846 15.999 > 21 25 O 0.09277166340704 0.16840669419279 0.87944846606154 15.999 > 25 26 O 0.59277166340704 0.16840669419279 0.87944846606154 15.999 > 25 27 O 0.09277166340704 0.66840669419279 0.87944846606154 15.999 > 25 28 O 0.59277166340704 0.66840669419279 0.87944846606154 15.999 > 25 29 O 0.09277166340704 0.08159330580721 0.37944846606154 15.999 > 29 30 O 0.59277166340704 0.08159330580721 0.37944846606154 15.999 > 29 31 O 0.09277166340704 0.58159330580721 0.37944846606154 15.999 > 29 32 O 0.59277166340704 0.58159330580721 0.37944846606154 15.999 > 29 33 O 0.40722833659296 0.33159330580721 0.12055153393846 15.999 > 33 34 O 0.90722833659296 0.33159330580721 0.12055153393846 15.999 > 33 35 O 0.40722833659296 0.83159330580721 0.12055153393846 15.999 > 33 36 O 0.90722833659296 0.83159330580721 0.12055153393846 15.999 > 33 37 O 0.22035728583465 0.38218948037882 0.37565796258512 15.999 > 37 38 O 0.72035728583464 0.38218948037882 0.37565796258512 15.999 > 37 39 O 0.22035728583465 0.88218948037882 0.37565796258512 15.999 > 37 40 O 0.72035728583464 0.88218948037882 0.37565796258512 15.999 > 37 41 O 0.46915614958213 0.16669153807131 0.57420586504920 15.999 > 41 42 O 0.96915614958214 0.16669153807131 0.57420586504920 15.999 > 41 43 O 0.46915614958213 0.66669153807131 0.57420586504920 15.999 > 41 44 O 0.96915614958214 0.66669153807131 0.57420586504920 15.999 > 41 45 O 0.46915614958213 0.08330846192869 0.07420586504920 15.999 > 45 46 O 0.96915614958214 0.08330846192869 0.07420586504920 15.999 > 45 47 O 0.46915614958213 0.58330846192869 0.07420586504920 15.999 > 45 48 O 0.96915614958214 0.58330846192869 0.07420586504920 15.999 > 45 49 O 0.03084385041787 0.33330846192869 0.42579413495080 15.999 > 49 50 O 0.53084385041787 0.33330846192869 0.42579413495080 15.999 > 49 51 O 0.03084385041787 0.83330846192869 0.42579413495080 15.999 > 49 52 O 0.53084385041787 0.83330846192869 0.42579413495080 15.999 > 49 53 O 0.09115106326174 0.35360709258808 0.68072854724093 15.999 > 53 54 O 0.59115106326174 0.35360709258808 0.68072854724093 15.999 > 53 55 O 0.09115106326174 0.85360709258808 0.68072854724093 15.999 > 53 56 O 0.59115106326174 0.85360709258808 0.68072854724093 15.999 > 53 57 O 0.40884893673826 0.10360709258808 0.81927145275907 15.999 > 57 58 O 0.90884893673826 0.10360709258808 0.81927145275907 15.999 > 57 59 O 0.40884893673826 0.60360709258808 0.81927145275907 15.999 > 57 60 O 0.90884893673826 0.60360709258808 0.81927145275907 15.999 > 57 61 O 0.40884893673826 0.14639290741192 0.31927145275907 15.999 > 61 62 O 0.90884893673826 0.14639290741192 0.31927145275907 15.999 > 61 63 O 0.40884893673826 0.64639290741192 0.31927145275907 15.999 > 61 64 O 0.90884893673826 0.64639290741192 0.31927145275907 15.999 > 61 65 O 0.27964271416536 0.11781051962118 0.62434203741488 15.999 > 65 66 O 0.77964271416536 0.11781051962118 0.62434203741488 15.999 > 65 67 O 0.27964271416536 0.61781051962118 0.62434203741488 15.999 > 65 68 O 0.77964271416536 0.61781051962118 0.62434203741488 15.999 > 65 69 O 0.27964271416536 0.13218948037882 0.12434203741488 15.999 > 69 70 O 0.77964271416536 0.13218948037882 0.12434203741488 15.999 > 69 71 O 0.27964271416536 0.63218948037882 0.12434203741488 15.999 > 69 72 O 0.77964271416536 0.63218948037882 0.12434203741488 15.999 > 69 73 O 0.22035728583465 0.36781051962118 0.87565796258512 15.999 > 73 74 O 0.72035728583464 0.36781051962118 0.87565796258512 15.999 > 73 75 O 0.22035728583465 0.86781051962118 0.87565796258512 15.999 > 73 76 O 0.72035728583464 0.86781051962118 0.87565796258512 15.999 > 73 77 O 0.09115106326174 0.39639290741192 0.18072854724093 15.999 > 77 78 O 0.59115106326174 0.39639290741192 0.18072854724093 15.999 > 77 79 O 0.09115106326174 0.89639290741192 0.18072854724093 15.999 > 77 80 O 0.59115106326174 0.89639290741192 0.18072854724093 15.999 > 77 81 Na 0.25075503775138 0.10427895658282 0.89018986287235 22.990 > 81 82 Na 0.75075503775138 0.10427895658282 0.89018986287235 22.990 > 81 83 Na 0.25075503775138 0.60427895658282 0.89018986287235 22.990 > 81 84 Na 0.75075503775138 0.60427895658282 0.89018986287235 22.990 > 81 85 Na 0.38256266603783 0.34101393238993 0.85942475674369 22.990 > 85 86 Na 0.88256266603783 0.34101393238993 0.85942475674369 22.990 > 85 87 Na 0.38256266603783 0.84101393238993 0.85942475674369 22.990 > 85 88 Na 0.88256266603783 0.84101393238993 0.85942475674369 22.990 > 85 89 Na 0.11743733396217 0.09101393238993 0.64057524325631 22.990 > 89 90 Na 0.61743733396217 0.09101393238993 0.64057524325631 22.990 > 89 91 Na 0.11743733396217 0.59101393238993 0.64057524325631 22.990 > 89 92 Na 0.61743733396217 0.59101393238993 0.64057524325631 22.990 > 89 93 Na 0.11743733396217 0.15898606761007 0.14057524325631 22.990 > 93 94 Na 0.61743733396217 0.15898606761007 0.14057524325631 22.990 > 93 95 Na 0.11743733396217 0.65898606761007 0.14057524325631 22.990 > 93 96 Na 0.61743733396217 0.65898606761007 0.14057524325631 22.990 > 93 97 Na 0.38256266603783 0.40898606761007 0.35942475674369 22.990 > 97 98 Na 0.88256266603783 0.40898606761007 0.35942475674369 22.990 > 97 99 Na 0.38256266603783 0.90898606761007 0.35942475674369 22.990 > 97 100 Na 0.88256266603783 0.90898606761007 0.35942475674369 22.990 > 97 101 Na 0.24924496224862 0.35427895658282 0.60981013712765 22.990 > 101 102 Na 0.74924496224862 0.35427895658282 0.60981013712765 22.990 > 101 103 Na 0.24924496224862 0.85427895658282 0.60981013712765 22.990 > 101 104 Na 0.74924496224862 0.85427895658282 0.60981013712765 22.990 > 101 105 Na 0.25075503775138 0.14572104341718 0.39018986287235 22.990 > 105 106 Na 0.75075503775138 0.14572104341718 0.39018986287235 22.990 > 105 107 Na 0.25075503775138 0.64572104341718 0.39018986287235 22.990 > 105 108 Na 0.75075503775138 0.64572104341718 0.39018986287235 22.990 > 105 109 Na 0.24924496224862 0.39572104341718 0.10981013712765 22.990 > 109 110 Na 0.74924496224862 0.39572104341718 0.10981013712765 22.990 > 109 111 Na 0.24924496224862 0.89572104341718 0.10981013712765 22.990 > 109 112 Na 0.74924496224862 0.89572104341718 0.10981013712765 22.990 > 109 113 Si 0.11111779397152 0.42188208739565 0.34219869784058 28.085 > 113 114 Si 0.61111779397152 0.42188208739565 0.34219869784058 28.085 > 113 115 Si 0.11111779397152 0.92188208739565 0.34219869784058 28.085 > 113 116 Si 0.61111779397152 0.92188208739565 0.34219869784058 28.085 > 113 117 Si 0.11111779397152 0.32811791260435 0.84219869784058 28.085 > 117 118 Si 0.61111779397152 0.32811791260435 0.84219869784058 28.085 > 117 119 Si 0.11111779397152 0.82811791260435 0.84219869784058 28.085 > 117 120 Si 0.61111779397152 0.82811791260435 0.84219869784058 28.085 > 117 121 Si 0.38888220602848 0.07811791260435 0.65780130215942 28.085 > 121 122 Si 0.88888220602848 0.07811791260435 0.65780130215942 28.085 > 121 123 Si 0.38888220602848 0.57811791260435 0.65780130215942 28.085 > 121 124 Si 0.88888220602848 0.57811791260435 0.65780130215942 28.085 > 121 125 Si 0.38888220602848 0.17188208739565 0.15780130215942 28.085 > 125 126 Si 0.88888220602848 0.17188208739565 0.15780130215942 28.085 > 125 127 Si 0.38888220602848 0.67188208739565 0.15780130215942 28.085 > 125 128 Si 0.88888220602848 0.67188208739565 0.15780130215942 28.085 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6119587 0.0000000 -0.0133434 0.0000000 2.6453366 0.0000000 -0.0133368 0.0000000 2.6388662 -------------------------- Born effective charges -------------------------- 1 Be 1.7351977 -0.0354780 -0.0483167 0.1817149 1.8625900 -0.1442827 0.1075102 -0.1676224 1.9146050 2 Be 1.7351977 0.0354780 -0.0483167 -0.1817149 1.8625900 0.1442827 0.1075102 0.1676224 1.9146050 3 Be 1.7351977 -0.0354780 -0.0483167 0.1817149 1.8625900 -0.1442827 0.1075102 -0.1676224 1.9146050 4 Be 1.7351977 0.0354780 -0.0483167 -0.1817149 1.8625900 0.1442827 0.1075102 0.1676224 1.9146050 5 O -1.5484621 0.4459214 0.4112324 0.4470439 -1.8969761 -0.2145102 0.4257454 -0.2130864 -1.8811077 6 O -1.5906053 0.3706133 0.0842314 0.4638425 -2.2099692 -0.2295072 0.1160640 -0.2570469 -1.3185423 7 O -1.5906053 -0.3706133 0.0842314 -0.4638425 -2.2099692 0.2295072 0.1160640 0.2570469 -1.3185423 8 O -1.5906053 0.3706133 0.0842314 0.4638425 -2.2099692 -0.2295072 0.1160640 -0.2570469 -1.3185423 9 O -1.5906053 -0.3706133 0.0842314 -0.4638425 -2.2099692 0.2295072 0.1160640 0.2570469 -1.3185423 10 O -2.0768362 0.1730422 -0.1272906 0.1524076 -1.4116866 0.0219551 -0.1018960 0.0259251 -1.3914198 11 O -1.5484621 -0.4459214 0.4112324 -0.4470439 -1.8969761 0.2145102 0.4257454 0.2130864 -1.8811077 12 O -1.5484621 0.4459214 0.4112324 0.4470439 -1.8969761 -0.2145102 0.4257454 -0.2130864 -1.8811077 13 O -1.5484621 -0.4459214 0.4112324 -0.4470439 -1.8969761 0.2145102 0.4257454 0.2130864 -1.8811077 14 O -1.5961855 -0.0496973 -0.3816297 0.0144669 -1.2813030 0.0663002 -0.4664195 0.0618751 -2.2194205 15 O -1.5961855 0.0496973 -0.3816297 -0.0144669 -1.2813030 -0.0663002 -0.4664195 -0.0618751 -2.2194205 16 O -1.5961855 -0.0496973 -0.3816297 0.0144669 -1.2813030 0.0663002 -0.4664195 0.0618751 -2.2194205 17 O -2.0768362 0.1730422 -0.1272906 0.1524076 -1.4116866 0.0219551 -0.1018960 0.0259251 -1.3914198 18 O -2.0768362 -0.1730422 -0.1272906 -0.1524076 -1.4116866 -0.0219551 -0.1018960 -0.0259251 -1.3914198 19 O -2.0768362 -0.1730422 -0.1272906 -0.1524076 -1.4116866 -0.0219551 -0.1018960 -0.0259251 -1.3914198 20 O -1.5961855 0.0496973 -0.3816297 -0.0144669 -1.2813030 -0.0663002 -0.4664195 -0.0618751 -2.2194205 21 Na 1.0677637 -0.0099092 -0.0009907 -0.0371359 1.0235357 0.0186596 -0.0208008 0.0138933 1.0251978 22 Na 1.0949074 0.0095569 -0.0023269 0.0209424 1.0855020 -0.0554805 0.0049904 -0.0231853 1.0924866 23 Na 1.0949074 -0.0095569 -0.0023269 -0.0209424 1.0855020 0.0554805 0.0049904 0.0231853 1.0924866 24 Na 1.0949074 0.0095569 -0.0023269 0.0209424 1.0855020 -0.0554805 0.0049904 -0.0231853 1.0924866 25 Na 1.0949074 -0.0095569 -0.0023269 -0.0209424 1.0855020 0.0554805 0.0049904 0.0231853 1.0924866 26 Na 1.0677637 0.0099092 -0.0009907 0.0371359 1.0235357 -0.0186596 -0.0208008 -0.0138933 1.0251978 27 Na 1.0677637 0.0099092 -0.0009907 0.0371359 1.0235357 -0.0186596 -0.0208008 -0.0138933 1.0251978 28 Na 1.0677637 -0.0099092 -0.0009907 -0.0371359 1.0235357 0.0186596 -0.0208008 0.0138933 1.0251978 29 Si 2.9142205 -0.0720399 0.0650908 0.0513825 2.8283073 -0.0219667 -0.0651938 -0.0156194 2.7782010 30 Si 2.9142205 0.0720399 0.0650908 -0.0513825 2.8283073 0.0219667 -0.0651938 0.0156194 2.7782010 31 Si 2.9142205 -0.0720399 0.0650908 0.0513825 2.8283073 -0.0219667 -0.0651938 -0.0156194 2.7782010 32 Si 2.9142205 0.0720399 0.0650908 -0.0513825 2.8283073 0.0219667 -0.0651938 0.0156194 2.7782010 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 21, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 85, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (xy) 0.00000001 (xy) 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 03:05:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:05:27]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.042319810597937 0.000000000000000 0.000000000000000 b 0.000000000000000 4.964461260000000 0.000000000000000 c -0.005691073130203 0.000000000000000 9.942806335005816 Atomic positions (fractional): 1 Be 0.99894900841908 0.84171018039899 0.08793493743426 9.012 2 Be 0.00105099158092 0.34171018039899 0.41206506256574 9.012 3 Be 0.00105099158092 0.15828981960101 0.91206506256574 9.012 4 Be 0.99894900841908 0.65828981960101 0.58793493743426 9.012 5 O 0.06168770083573 0.83338307614262 0.92579413495080 15.999 6 O 0.81445667318593 0.83681338838559 0.62055153393846 15.999 7 O 0.18554332681407 0.33681338838558 0.87944846606154 15.999 8 O 0.18554332681407 0.16318661161442 0.37944846606154 15.999 9 O 0.81445667318593 0.66318661161441 0.12055153393846 15.999 10 O 0.44071457166929 0.76437896075764 0.37565796258512 15.999 11 O 0.93831229916427 0.33338307614262 0.57420586504920 15.999 12 O 0.93831229916427 0.16661692385738 0.07420586504920 15.999 13 O 0.06168770083573 0.66661692385738 0.42579413495080 15.999 14 O 0.18230212652348 0.70721418517615 0.68072854724093 15.999 15 O 0.81769787347652 0.20721418517615 0.81927145275907 15.999 16 O 0.81769787347652 0.29278581482385 0.31927145275907 15.999 17 O 0.55928542833071 0.23562103924236 0.62434203741488 15.999 18 O 0.55928542833071 0.26437896075764 0.12434203741488 15.999 19 O 0.44071457166929 0.73562103924236 0.87565796258512 15.999 20 O 0.18230212652348 0.79278581482385 0.18072854724093 15.999 21 Na 0.50151007550276 0.20855791316564 0.89018986287235 22.990 22 Na 0.76512533207566 0.68202786477985 0.85942475674369 22.990 23 Na 0.23487466792434 0.18202786477985 0.64057524325631 22.990 24 Na 0.23487466792434 0.31797213522015 0.14057524325631 22.990 25 Na 0.76512533207566 0.81797213522015 0.35942475674369 22.990 26 Na 0.49848992449724 0.70855791316564 0.60981013712765 22.990 27 Na 0.50151007550276 0.29144208683436 0.39018986287235 22.990 28 Na 0.49848992449724 0.79144208683436 0.10981013712765 22.990 29 Si 0.22223558794304 0.84376417479130 0.34219869784058 28.085 30 Si 0.22223558794304 0.65623582520870 0.84219869784058 28.085 31 Si 0.77776441205696 0.15623582520870 0.65780130215942 28.085 32 Si 0.77776441205696 0.34376417479130 0.15780130215942 28.085 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.084639621195874 0.000000000000000 0.000000000000000 b 0.000000000000000 9.928922520000000 0.000000000000000 c -0.005691073130203 0.000000000000000 9.942806335005816 Atomic positions (fractional): 1 Be 0.49947450420954 0.42085509019949 0.08793493743426 9.012 > 1 2 Be 0.99947450420954 0.42085509019949 0.08793493743426 9.012 > 1 3 Be 0.49947450420954 0.92085509019949 0.08793493743426 9.012 > 1 4 Be 0.99947450420954 0.92085509019949 0.08793493743426 9.012 > 1 5 Be 0.00052549579046 0.17085509019949 0.41206506256574 9.012 > 5 6 Be 0.50052549579046 0.17085509019949 0.41206506256574 9.012 > 5 7 Be 0.00052549579046 0.67085509019949 0.41206506256574 9.012 > 5 8 Be 0.50052549579046 0.67085509019949 0.41206506256574 9.012 > 5 9 Be 0.00052549579046 0.07914490980051 0.91206506256574 9.012 > 9 10 Be 0.50052549579046 0.07914490980051 0.91206506256574 9.012 > 9 11 Be 0.00052549579046 0.57914490980051 0.91206506256574 9.012 > 9 12 Be 0.50052549579046 0.57914490980051 0.91206506256574 9.012 > 9 13 Be 0.49947450420954 0.32914490980051 0.58793493743426 9.012 > 13 14 Be 0.99947450420954 0.32914490980051 0.58793493743426 9.012 > 13 15 Be 0.49947450420954 0.82914490980051 0.58793493743426 9.012 > 13 16 Be 0.99947450420954 0.82914490980051 0.58793493743426 9.012 > 13 17 O 0.03084385041787 0.41669153807131 0.92579413495080 15.999 > 17 18 O 0.53084385041787 0.41669153807131 0.92579413495080 15.999 > 17 19 O 0.03084385041787 0.91669153807131 0.92579413495080 15.999 > 17 20 O 0.53084385041787 0.91669153807131 0.92579413495080 15.999 > 17 21 O 0.40722833659296 0.41840669419279 0.62055153393846 15.999 > 21 22 O 0.90722833659296 0.41840669419279 0.62055153393846 15.999 > 21 23 O 0.40722833659296 0.91840669419279 0.62055153393846 15.999 > 21 24 O 0.90722833659296 0.91840669419279 0.62055153393846 15.999 > 21 25 O 0.09277166340704 0.16840669419279 0.87944846606154 15.999 > 25 26 O 0.59277166340704 0.16840669419279 0.87944846606154 15.999 > 25 27 O 0.09277166340704 0.66840669419279 0.87944846606154 15.999 > 25 28 O 0.59277166340704 0.66840669419279 0.87944846606154 15.999 > 25 29 O 0.09277166340704 0.08159330580721 0.37944846606154 15.999 > 29 30 O 0.59277166340704 0.08159330580721 0.37944846606154 15.999 > 29 31 O 0.09277166340704 0.58159330580721 0.37944846606154 15.999 > 29 32 O 0.59277166340704 0.58159330580721 0.37944846606154 15.999 > 29 33 O 0.40722833659296 0.33159330580721 0.12055153393846 15.999 > 33 34 O 0.90722833659296 0.33159330580721 0.12055153393846 15.999 > 33 35 O 0.40722833659296 0.83159330580721 0.12055153393846 15.999 > 33 36 O 0.90722833659296 0.83159330580721 0.12055153393846 15.999 > 33 37 O 0.22035728583465 0.38218948037882 0.37565796258512 15.999 > 37 38 O 0.72035728583464 0.38218948037882 0.37565796258512 15.999 > 37 39 O 0.22035728583465 0.88218948037882 0.37565796258512 15.999 > 37 40 O 0.72035728583464 0.88218948037882 0.37565796258512 15.999 > 37 41 O 0.46915614958213 0.16669153807131 0.57420586504920 15.999 > 41 42 O 0.96915614958214 0.16669153807131 0.57420586504920 15.999 > 41 43 O 0.46915614958213 0.66669153807131 0.57420586504920 15.999 > 41 44 O 0.96915614958214 0.66669153807131 0.57420586504920 15.999 > 41 45 O 0.46915614958213 0.08330846192869 0.07420586504920 15.999 > 45 46 O 0.96915614958214 0.08330846192869 0.07420586504920 15.999 > 45 47 O 0.46915614958213 0.58330846192869 0.07420586504920 15.999 > 45 48 O 0.96915614958214 0.58330846192869 0.07420586504920 15.999 > 45 49 O 0.03084385041787 0.33330846192869 0.42579413495080 15.999 > 49 50 O 0.53084385041787 0.33330846192869 0.42579413495080 15.999 > 49 51 O 0.03084385041787 0.83330846192869 0.42579413495080 15.999 > 49 52 O 0.53084385041787 0.83330846192869 0.42579413495080 15.999 > 49 53 O 0.09115106326174 0.35360709258808 0.68072854724093 15.999 > 53 54 O 0.59115106326174 0.35360709258808 0.68072854724093 15.999 > 53 55 O 0.09115106326174 0.85360709258808 0.68072854724093 15.999 > 53 56 O 0.59115106326174 0.85360709258808 0.68072854724093 15.999 > 53 57 O 0.40884893673826 0.10360709258808 0.81927145275907 15.999 > 57 58 O 0.90884893673826 0.10360709258808 0.81927145275907 15.999 > 57 59 O 0.40884893673826 0.60360709258808 0.81927145275907 15.999 > 57 60 O 0.90884893673826 0.60360709258808 0.81927145275907 15.999 > 57 61 O 0.40884893673826 0.14639290741192 0.31927145275907 15.999 > 61 62 O 0.90884893673826 0.14639290741192 0.31927145275907 15.999 > 61 63 O 0.40884893673826 0.64639290741192 0.31927145275907 15.999 > 61 64 O 0.90884893673826 0.64639290741192 0.31927145275907 15.999 > 61 65 O 0.27964271416536 0.11781051962118 0.62434203741488 15.999 > 65 66 O 0.77964271416536 0.11781051962118 0.62434203741488 15.999 > 65 67 O 0.27964271416536 0.61781051962118 0.62434203741488 15.999 > 65 68 O 0.77964271416536 0.61781051962118 0.62434203741488 15.999 > 65 69 O 0.27964271416536 0.13218948037882 0.12434203741488 15.999 > 69 70 O 0.77964271416536 0.13218948037882 0.12434203741488 15.999 > 69 71 O 0.27964271416536 0.63218948037882 0.12434203741488 15.999 > 69 72 O 0.77964271416536 0.63218948037882 0.12434203741488 15.999 > 69 73 O 0.22035728583465 0.36781051962118 0.87565796258512 15.999 > 73 74 O 0.72035728583464 0.36781051962118 0.87565796258512 15.999 > 73 75 O 0.22035728583465 0.86781051962118 0.87565796258512 15.999 > 73 76 O 0.72035728583464 0.86781051962118 0.87565796258512 15.999 > 73 77 O 0.09115106326174 0.39639290741192 0.18072854724093 15.999 > 77 78 O 0.59115106326174 0.39639290741192 0.18072854724093 15.999 > 77 79 O 0.09115106326174 0.89639290741192 0.18072854724093 15.999 > 77 80 O 0.59115106326174 0.89639290741192 0.18072854724093 15.999 > 77 81 Na 0.25075503775138 0.10427895658282 0.89018986287235 22.990 > 81 82 Na 0.75075503775138 0.10427895658282 0.89018986287235 22.990 > 81 83 Na 0.25075503775138 0.60427895658282 0.89018986287235 22.990 > 81 84 Na 0.75075503775138 0.60427895658282 0.89018986287235 22.990 > 81 85 Na 0.38256266603783 0.34101393238993 0.85942475674369 22.990 > 85 86 Na 0.88256266603783 0.34101393238993 0.85942475674369 22.990 > 85 87 Na 0.38256266603783 0.84101393238993 0.85942475674369 22.990 > 85 88 Na 0.88256266603783 0.84101393238993 0.85942475674369 22.990 > 85 89 Na 0.11743733396217 0.09101393238993 0.64057524325631 22.990 > 89 90 Na 0.61743733396217 0.09101393238993 0.64057524325631 22.990 > 89 91 Na 0.11743733396217 0.59101393238993 0.64057524325631 22.990 > 89 92 Na 0.61743733396217 0.59101393238993 0.64057524325631 22.990 > 89 93 Na 0.11743733396217 0.15898606761007 0.14057524325631 22.990 > 93 94 Na 0.61743733396217 0.15898606761007 0.14057524325631 22.990 > 93 95 Na 0.11743733396217 0.65898606761007 0.14057524325631 22.990 > 93 96 Na 0.61743733396217 0.65898606761007 0.14057524325631 22.990 > 93 97 Na 0.38256266603783 0.40898606761007 0.35942475674369 22.990 > 97 98 Na 0.88256266603783 0.40898606761007 0.35942475674369 22.990 > 97 99 Na 0.38256266603783 0.90898606761007 0.35942475674369 22.990 > 97 100 Na 0.88256266603783 0.90898606761007 0.35942475674369 22.990 > 97 101 Na 0.24924496224862 0.35427895658282 0.60981013712765 22.990 > 101 102 Na 0.74924496224862 0.35427895658282 0.60981013712765 22.990 > 101 103 Na 0.24924496224862 0.85427895658282 0.60981013712765 22.990 > 101 104 Na 0.74924496224862 0.85427895658282 0.60981013712765 22.990 > 101 105 Na 0.25075503775138 0.14572104341718 0.39018986287235 22.990 > 105 106 Na 0.75075503775138 0.14572104341718 0.39018986287235 22.990 > 105 107 Na 0.25075503775138 0.64572104341718 0.39018986287235 22.990 > 105 108 Na 0.75075503775138 0.64572104341718 0.39018986287235 22.990 > 105 109 Na 0.24924496224862 0.39572104341718 0.10981013712765 22.990 > 109 110 Na 0.74924496224862 0.39572104341718 0.10981013712765 22.990 > 109 111 Na 0.24924496224862 0.89572104341718 0.10981013712765 22.990 > 109 112 Na 0.74924496224862 0.89572104341718 0.10981013712765 22.990 > 109 113 Si 0.11111779397152 0.42188208739565 0.34219869784058 28.085 > 113 114 Si 0.61111779397152 0.42188208739565 0.34219869784058 28.085 > 113 115 Si 0.11111779397152 0.92188208739565 0.34219869784058 28.085 > 113 116 Si 0.61111779397152 0.92188208739565 0.34219869784058 28.085 > 113 117 Si 0.11111779397152 0.32811791260435 0.84219869784058 28.085 > 117 118 Si 0.61111779397152 0.32811791260435 0.84219869784058 28.085 > 117 119 Si 0.11111779397152 0.82811791260435 0.84219869784058 28.085 > 117 120 Si 0.61111779397152 0.82811791260435 0.84219869784058 28.085 > 117 121 Si 0.38888220602848 0.07811791260435 0.65780130215942 28.085 > 121 122 Si 0.88888220602848 0.07811791260435 0.65780130215942 28.085 > 121 123 Si 0.38888220602848 0.57811791260435 0.65780130215942 28.085 > 121 124 Si 0.88888220602848 0.57811791260435 0.65780130215942 28.085 > 121 125 Si 0.38888220602848 0.17188208739565 0.15780130215942 28.085 > 125 126 Si 0.88888220602848 0.17188208739565 0.15780130215942 28.085 > 125 127 Si 0.38888220602848 0.67188208739565 0.15780130215942 28.085 > 125 128 Si 0.88888220602848 0.67188208739565 0.15780130215942 28.085 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.6119587 0.0000000 -0.0133434 0.0000000 2.6453366 0.0000000 -0.0133368 0.0000000 2.6388662 -------------------------- Born effective charges -------------------------- 1 Be 1.7351977 -0.0354780 -0.0483167 0.1817149 1.8625900 -0.1442827 0.1075102 -0.1676224 1.9146050 2 Be 1.7351977 0.0354780 -0.0483167 -0.1817149 1.8625900 0.1442827 0.1075102 0.1676224 1.9146050 3 Be 1.7351977 -0.0354780 -0.0483167 0.1817149 1.8625900 -0.1442827 0.1075102 -0.1676224 1.9146050 4 Be 1.7351977 0.0354780 -0.0483167 -0.1817149 1.8625900 0.1442827 0.1075102 0.1676224 1.9146050 5 O -1.5484621 0.4459214 0.4112324 0.4470439 -1.8969761 -0.2145102 0.4257454 -0.2130864 -1.8811077 6 O -1.5906053 0.3706133 0.0842314 0.4638425 -2.2099692 -0.2295072 0.1160640 -0.2570469 -1.3185423 7 O -1.5906053 -0.3706133 0.0842314 -0.4638425 -2.2099692 0.2295072 0.1160640 0.2570469 -1.3185423 8 O -1.5906053 0.3706133 0.0842314 0.4638425 -2.2099692 -0.2295072 0.1160640 -0.2570469 -1.3185423 9 O -1.5906053 -0.3706133 0.0842314 -0.4638425 -2.2099692 0.2295072 0.1160640 0.2570469 -1.3185423 10 O -2.0768362 0.1730422 -0.1272906 0.1524076 -1.4116866 0.0219551 -0.1018960 0.0259251 -1.3914198 11 O -1.5484621 -0.4459214 0.4112324 -0.4470439 -1.8969761 0.2145102 0.4257454 0.2130864 -1.8811077 12 O -1.5484621 0.4459214 0.4112324 0.4470439 -1.8969761 -0.2145102 0.4257454 -0.2130864 -1.8811077 13 O -1.5484621 -0.4459214 0.4112324 -0.4470439 -1.8969761 0.2145102 0.4257454 0.2130864 -1.8811077 14 O -1.5961855 -0.0496973 -0.3816297 0.0144669 -1.2813030 0.0663002 -0.4664195 0.0618751 -2.2194205 15 O -1.5961855 0.0496973 -0.3816297 -0.0144669 -1.2813030 -0.0663002 -0.4664195 -0.0618751 -2.2194205 16 O -1.5961855 -0.0496973 -0.3816297 0.0144669 -1.2813030 0.0663002 -0.4664195 0.0618751 -2.2194205 17 O -2.0768362 0.1730422 -0.1272906 0.1524076 -1.4116866 0.0219551 -0.1018960 0.0259251 -1.3914198 18 O -2.0768362 -0.1730422 -0.1272906 -0.1524076 -1.4116866 -0.0219551 -0.1018960 -0.0259251 -1.3914198 19 O -2.0768362 -0.1730422 -0.1272906 -0.1524076 -1.4116866 -0.0219551 -0.1018960 -0.0259251 -1.3914198 20 O -1.5961855 0.0496973 -0.3816297 -0.0144669 -1.2813030 -0.0663002 -0.4664195 -0.0618751 -2.2194205 21 Na 1.0677637 -0.0099092 -0.0009907 -0.0371359 1.0235357 0.0186596 -0.0208008 0.0138933 1.0251978 22 Na 1.0949074 0.0095569 -0.0023269 0.0209424 1.0855020 -0.0554805 0.0049904 -0.0231853 1.0924866 23 Na 1.0949074 -0.0095569 -0.0023269 -0.0209424 1.0855020 0.0554805 0.0049904 0.0231853 1.0924866 24 Na 1.0949074 0.0095569 -0.0023269 0.0209424 1.0855020 -0.0554805 0.0049904 -0.0231853 1.0924866 25 Na 1.0949074 -0.0095569 -0.0023269 -0.0209424 1.0855020 0.0554805 0.0049904 0.0231853 1.0924866 26 Na 1.0677637 0.0099092 -0.0009907 0.0371359 1.0235357 -0.0186596 -0.0208008 -0.0138933 1.0251978 27 Na 1.0677637 0.0099092 -0.0009907 0.0371359 1.0235357 -0.0186596 -0.0208008 -0.0138933 1.0251978 28 Na 1.0677637 -0.0099092 -0.0009907 -0.0371359 1.0235357 0.0186596 -0.0208008 0.0138933 1.0251978 29 Si 2.9142205 -0.0720399 0.0650908 0.0513825 2.8283073 -0.0219667 -0.0651938 -0.0156194 2.7782010 30 Si 2.9142205 0.0720399 0.0650908 -0.0513825 2.8283073 0.0219667 -0.0651938 0.0156194 2.7782010 31 Si 2.9142205 -0.0720399 0.0650908 0.0513825 2.8283073 -0.0219667 -0.0651938 -0.0156194 2.7782010 32 Si 2.9142205 0.0720399 0.0650908 -0.0513825 2.8283073 0.0219667 -0.0651938 0.0156194 2.7782010 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 10 5 ] 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: 0.59, Number of G-points: 295, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/108) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 2.979 ( 0.000 0.000 0.000) 0.000 3.412 ( 0.000 0.000 0.000) 0.000 3.454 ( 0.000 0.000 0.000) 0.000 3.692 ( 0.000 0.000 0.000) 0.000 3.858 ( 0.000 0.000 0.000) 0.000 3.866 ( 0.000 0.000 0.000) 0.000 4.066 ( 0.000 0.000 0.000) 0.000 4.483 ( 0.000 0.000 0.000) 0.000 4.595 ( 0.000 0.000 0.000) 0.000 4.720 ( 0.000 0.000 0.000) 0.000 4.893 ( 0.000 0.000 0.000) 0.000 4.904 ( 0.000 0.000 0.000) 0.000 4.924 ( 0.000 0.000 0.000) 0.000 5.216 ( 0.000 0.000 0.000) 0.000 5.330 ( 0.000 0.000 0.000) 0.000 5.393 ( 0.000 0.000 0.000) 0.000 5.498 ( 0.000 0.000 0.000) 0.000 5.602 ( 0.000 0.000 0.000) 0.000 5.710 ( 0.000 0.000 0.000) 0.000 5.818 ( 0.000 0.000 0.000) 0.000 5.889 ( 0.000 0.000 0.000) 0.000 5.921 ( 0.000 0.000 0.000) 0.000 5.947 ( 0.000 0.000 0.000) 0.000 5.988 ( 0.000 0.000 0.000) 0.000 6.348 ( 0.000 0.000 0.000) 0.000 6.465 ( 0.000 0.000 0.000) 0.000 6.565 ( 0.000 0.000 0.000) 0.000 6.952 ( 0.000 0.000 0.000) 0.000 7.128 ( 0.000 0.000 0.000) 0.000 7.246 ( 0.000 0.000 0.000) 0.000 7.371 ( 0.000 0.000 0.000) 0.000 7.405 ( 0.000 0.000 0.000) 0.000 7.563 ( 0.000 0.000 0.000) 0.000 8.178 ( 0.000 0.000 0.000) 0.000 8.329 ( 0.000 0.000 0.000) 0.000 8.385 ( 0.000 0.000 0.000) 0.000 8.443 ( 0.000 0.000 0.000) 0.000 8.476 ( 0.000 0.000 0.000) 0.000 8.620 ( 0.000 0.000 0.000) 0.000 8.896 ( 0.000 0.000 0.000) 0.000 9.106 ( 0.000 0.000 0.000) 0.000 9.208 ( 0.000 0.000 0.000) 0.000 9.741 ( 0.000 0.000 0.000) 0.000 9.808 ( 0.000 0.000 0.000) 0.000 9.894 ( 0.000 0.000 0.000) 0.000 10.601 ( 0.000 0.000 0.000) 0.000 11.248 ( 0.000 0.000 0.000) 0.000 11.535 ( 0.000 0.000 0.000) 0.000 11.906 ( 0.000 0.000 0.000) 0.000 12.487 ( 0.000 0.000 0.000) 0.000 12.608 ( 0.000 0.000 0.000) 0.000 13.162 ( 0.000 0.000 0.000) 0.000 13.208 ( 0.000 0.000 0.000) 0.000 13.253 ( 0.000 0.000 0.000) 0.000 13.923 ( 0.000 0.000 0.000) 0.000 14.035 ( 0.000 0.000 0.000) 0.000 14.422 ( 0.000 0.000 0.000) 0.000 14.571 ( 0.000 0.000 0.000) 0.000 15.162 ( 0.000 0.000 0.000) 0.000 15.284 ( 0.000 0.000 0.000) 0.000 15.522 ( 0.000 0.000 0.000) 0.000 16.201 ( 0.000 0.000 0.000) 0.000 16.379 ( 0.000 0.000 0.000) 0.000 16.683 ( 0.000 0.000 0.000) 0.000 16.833 ( 0.000 0.000 0.000) 0.000 17.056 ( 0.000 0.000 0.000) 0.000 17.091 ( 0.000 0.000 0.000) 0.000 20.438 ( 0.000 0.000 0.000) 0.000 20.976 ( 0.000 0.000 0.000) 0.000 21.222 ( 0.000 0.000 0.000) 0.000 21.404 ( 0.000 0.000 0.000) 0.000 21.748 ( 0.000 0.000 0.000) 0.000 22.420 ( 0.000 0.000 0.000) 0.000 23.315 ( 0.000 0.000 0.000) 0.000 23.632 ( 0.000 0.000 0.000) 0.000 24.150 ( 0.000 0.000 0.000) 0.000 24.801 ( 0.000 0.000 0.000) 0.000 26.049 ( 0.000 0.000 0.000) 0.000 26.330 ( 0.000 0.000 0.000) 0.000 26.533 ( 0.000 0.000 0.000) 0.000 26.811 ( 0.000 0.000 0.000) 0.000 26.926 ( 0.000 0.000 0.000) 0.000 26.988 ( 0.000 0.000 0.000) 0.000 27.218 ( 0.000 0.000 0.000) 0.000 27.561 ( 0.000 0.000 0.000) 0.000 27.657 ( 0.000 0.000 0.000) 0.000 27.937 ( 0.000 0.000 0.000) 0.000 28.102 ( 0.000 0.000 0.000) 0.000 28.502 ( 0.000 0.000 0.000) 0.000 28.596 ( 0.000 0.000 0.000) 0.000 28.872 ( 0.000 0.000 0.000) 0.000 30.208 ( 0.000 0.000 0.000) 0.000 30.780 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/108) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( 45.084 0.000 10.343) 46.255 0.934 ( 45.520 0.000 -6.225) 45.944 1.572 ( 75.692 0.000 3.280) 75.763 2.972 ( -0.010 0.000 15.654) 15.654 3.460 ( 3.847 0.000 -12.231) 12.822 3.493 ( 3.818 0.000 9.657) 10.385 3.786 ( 8.238 0.000 -8.149) 11.588 3.919 ( 5.201 0.000 5.577) 7.625 3.947 ( 4.681 0.000 2.812) 5.460 4.115 ( 5.662 0.000 -1.784) 5.937 4.492 ( 1.020 0.000 5.739) 5.829 4.623 ( -8.971 0.000 -7.111) 11.447 4.737 ( 12.246 0.000 -1.130) 12.298 4.824 ( -2.848 0.000 -2.665) 3.900 4.918 ( 1.704 0.000 -6.911) 7.119 5.137 ( 12.787 0.000 -8.505) 15.358 5.138 ( -13.204 0.000 13.679) 19.012 5.231 ( 2.151 0.000 -8.478) 8.747 5.372 ( -2.841 0.000 1.947) 3.444 5.529 ( -6.673 0.000 -9.400) 11.528 5.554 ( -0.468 0.000 0.350) 0.584 5.706 ( -0.994 0.000 1.916) 2.159 5.843 ( 2.977 0.000 4.121) 5.084 5.863 ( -1.799 0.000 2.673) 3.222 5.933 ( -2.814 0.000 -0.519) 2.861 6.017 ( 2.535 0.000 -5.292) 5.868 6.058 ( 12.129 0.000 -14.224) 18.694 6.370 ( 1.899 0.000 2.308) 2.989 6.552 ( 7.881 0.000 -0.744) 7.916 6.628 ( 6.776 0.000 6.468) 9.367 6.960 ( 0.499 0.000 2.739) 2.784 7.097 ( -3.237 0.000 -1.541) 3.585 7.140 ( -7.642 0.000 3.805) 8.537 7.346 ( -1.768 0.000 -0.739) 1.917 7.471 ( 3.921 0.000 2.200) 4.496 7.680 ( 9.346 0.000 4.011) 10.171 8.074 ( -13.496 0.000 -2.961) 13.817 8.274 ( -14.536 0.000 4.259) 15.147 8.322 ( -4.590 0.000 4.131) 6.175 8.402 ( -6.068 0.000 -0.597) 6.097 8.537 ( -8.154 0.000 -2.308) 8.474 8.849 ( -1.833 0.000 -11.105) 11.255 9.097 ( -30.343 0.000 -3.175) 30.509 9.166 ( 0.533 0.000 13.880) 13.890 9.222 ( 1.589 0.000 9.198) 9.334 9.758 ( -3.732 0.000 -6.904) 7.848 9.835 ( 1.339 0.000 -3.360) 3.617 9.967 ( 5.864 0.000 -0.073) 5.864 10.608 ( 1.052 0.000 -0.203) 1.072 11.273 ( 2.121 0.000 2.844) 3.548 11.622 ( 6.925 0.000 0.257) 6.930 11.893 ( -1.036 0.000 1.883) 2.149 12.507 ( 1.955 0.000 -2.233) 2.968 12.591 ( -1.388 0.000 -4.612) 4.817 13.169 ( -2.759 0.000 -7.197) 7.708 13.193 ( 1.461 0.000 -3.410) 3.710 13.289 ( 2.357 0.000 8.310) 8.638 13.939 ( 1.432 0.000 -1.289) 1.927 14.052 ( 1.359 0.000 0.033) 1.359 14.579 ( 0.797 0.000 4.263) 4.337 14.768 ( 1.504 0.000 -12.659) 12.748 15.168 ( 0.157 0.000 2.857) 2.861 15.234 ( -4.352 0.000 -3.934) 5.867 15.471 ( -4.514 0.000 -0.099) 4.515 16.196 ( -0.462 0.000 -0.432) 0.633 16.370 ( -0.854 0.000 -0.177) 0.873 16.678 ( -0.424 0.000 -0.613) 0.745 16.829 ( -0.310 0.000 -0.386) 0.495 17.049 ( -0.533 0.000 0.826) 0.983 17.090 ( -0.091 0.000 3.059) 3.060 20.717 ( -0.464 0.000 -29.892) 29.896 20.994 ( -0.955 0.000 12.669) 12.705 21.189 ( -2.871 0.000 -0.103) 2.873 21.403 ( -0.074 0.000 4.101) 4.102 21.825 ( 6.615 0.000 -3.316) 7.399 22.635 ( -0.319 0.000 21.159) 21.162 23.332 ( 1.605 0.000 -0.030) 1.606 23.636 ( 0.408 0.000 -0.032) 0.409 24.146 ( -0.420 0.000 0.351) 0.547 24.789 ( -1.007 0.000 -4.487) 4.598 26.185 ( -1.366 0.000 -22.495) 22.537 26.334 ( 0.296 0.000 -0.970) 1.014 26.472 ( -5.462 0.000 1.895) 5.782 26.818 ( 0.578 0.000 -0.873) 1.048 26.927 ( 0.069 0.000 0.611) 0.615 26.972 ( -1.281 0.000 0.902) 1.567 27.264 ( 4.405 0.000 -1.434) 4.632 27.531 ( -2.249 0.000 2.119) 3.090 27.660 ( -0.333 0.000 1.609) 1.643 27.992 ( -8.853 0.000 1.706) 9.016 28.471 ( -9.401 0.000 2.386) 9.699 28.593 ( 7.133 0.000 -0.483) 7.149 28.975 ( 8.581 0.000 -5.548) 10.218 30.338 ( 11.756 0.000 0.538) 11.769 30.796 ( 1.446 0.000 0.907) 1.707 31.796 ( -5.054 0.000 26.292) 26.773 ======================= Grid point 2 (3/108) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 42.087 0.000 10.193) 43.304 1.832 ( 42.409 0.000 -6.065) 42.841 2.998 ( 60.456 0.000 -0.566) 60.459 3.006 ( 3.611 0.000 18.546) 18.894 3.504 ( -0.953 0.000 -8.217) 8.272 3.599 ( 6.649 0.000 9.599) 11.677 3.930 ( 0.308 0.000 -6.204) 6.212 3.993 ( -0.696 0.000 -4.362) 4.418 4.051 ( 9.354 0.000 11.485) 14.812 4.166 ( -5.619 0.000 -1.181) 5.741 4.437 ( -4.617 0.000 -6.973) 8.363 4.561 ( 7.003 0.000 2.215) 7.345 4.741 ( -4.164 0.000 -8.654) 9.604 4.813 ( -7.814 0.000 6.119) 9.925 4.994 ( 8.151 0.000 -0.755) 8.186 5.035 ( -1.103 0.000 5.552) 5.661 5.308 ( 0.637 0.000 4.344) 4.390 5.327 ( 0.081 0.000 2.890) 2.891 5.391 ( 15.398 0.000 -12.715) 19.969 5.409 ( -1.988 0.000 -8.837) 9.058 5.515 ( -1.660 0.000 -4.271) 4.582 5.657 ( -4.035 0.000 -1.126) 4.189 5.876 ( 1.860 0.000 0.396) 1.902 5.877 ( -2.025 0.000 -2.221) 3.005 6.023 ( 5.018 0.000 -5.079) 7.140 6.090 ( 16.248 0.000 -3.429) 16.606 6.325 ( 13.201 0.000 -9.826) 16.456 6.407 ( 1.113 0.000 4.220) 4.365 6.751 ( 10.737 0.000 -3.022) 11.155 6.836 ( 11.006 0.000 9.637) 14.629 6.903 ( -7.744 0.000 13.204) 15.307 7.030 ( -0.894 0.000 -4.320) 4.411 7.062 ( 2.085 0.000 -3.818) 4.350 7.267 ( -5.888 0.000 2.892) 6.560 7.537 ( 0.061 0.000 2.095) 2.096 7.725 ( -19.178 0.000 2.970) 19.407 7.863 ( -3.676 0.000 -1.970) 4.171 7.928 ( -7.115 0.000 11.531) 13.549 7.984 ( -29.840 0.000 -7.266) 30.712 8.310 ( -13.089 0.000 5.437) 14.173 8.342 ( 1.101 0.000 -12.651) 12.699 8.551 ( -18.412 0.000 -2.058) 18.526 8.790 ( -4.796 0.000 -4.231) 6.396 9.085 ( -7.213 0.000 13.693) 15.477 9.274 ( 3.084 0.000 6.502) 7.196 9.638 ( -7.885 0.000 0.340) 7.892 9.795 ( -3.766 0.000 -3.543) 5.170 10.105 ( 6.607 0.000 -6.547) 9.302 10.651 ( 2.926 0.000 0.327) 2.945 11.329 ( 3.130 0.000 2.557) 4.042 11.745 ( 4.101 0.000 -0.825) 4.183 11.874 ( -0.691 0.000 2.173) 2.280 12.566 ( 3.653 0.000 -2.686) 4.534 12.570 ( -0.382 0.000 -5.229) 5.243 13.113 ( -2.518 0.000 -3.999) 4.726 13.227 ( 1.672 0.000 -1.262) 2.095 13.327 ( 1.129 0.000 5.936) 6.042 13.974 ( 1.769 0.000 -1.609) 2.391 14.084 ( 1.578 0.000 2.178) 2.690 14.600 ( 0.945 0.000 4.607) 4.703 14.805 ( 1.844 0.000 -3.946) 4.355 15.099 ( -5.440 0.000 5.413) 7.674 15.199 ( 0.290 0.000 -4.420) 4.430 15.364 ( -5.401 0.000 -1.880) 5.719 16.185 ( -0.579 0.000 -0.530) 0.784 16.350 ( -0.925 0.000 -0.352) 0.990 16.668 ( -0.499 0.000 -0.840) 0.977 16.822 ( -0.330 0.000 -0.417) 0.532 17.041 ( -0.193 0.000 0.809) 0.831 17.088 ( -0.169 0.000 2.384) 2.390 20.705 ( -0.590 0.000 -11.443) 11.458 20.971 ( -1.154 0.000 4.840) 4.976 21.124 ( -3.135 0.000 0.386) 3.159 21.399 ( -0.402 0.000 3.216) 3.241 21.971 ( 6.796 0.000 -3.068) 7.457 22.627 ( -0.392 0.000 7.960) 7.970 23.371 ( 1.909 0.000 -0.061) 1.910 23.646 ( 0.562 0.000 -0.013) 0.562 24.136 ( -0.504 0.000 0.487) 0.700 24.768 ( -0.917 0.000 -5.185) 5.266 26.154 ( -1.380 0.000 -7.860) 7.980 26.338 ( 0.088 0.000 -0.692) 0.698 26.347 ( -5.880 0.000 2.615) 6.435 26.830 ( 0.514 0.000 -0.859) 1.001 26.928 ( 0.088 0.000 0.768) 0.773 26.951 ( -0.626 0.000 1.227) 1.378 27.386 ( 7.251 0.000 -2.343) 7.620 27.493 ( -1.214 0.000 1.295) 1.775 27.652 ( -0.418 0.000 0.133) 0.438 27.805 ( -8.550 0.000 0.974) 8.605 28.244 ( -11.891 0.000 3.141) 12.299 28.741 ( 6.713 0.000 1.451) 6.868 29.149 ( 7.397 0.000 -7.222) 10.338 30.632 ( 15.947 0.000 0.650) 15.961 30.830 ( 1.644 0.000 1.272) 2.079 31.649 ( -9.224 0.000 9.581) 13.299 ======================= Grid point 3 (4/108) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.579 ( 29.718 0.000 8.416) 30.886 2.594 ( 28.693 0.000 -4.433) 29.033 3.103 ( 4.529 0.000 10.256) 11.212 3.431 ( -4.009 0.000 -2.890) 4.942 3.440 ( -11.711 0.000 -11.360) 16.316 3.713 ( -20.584 0.000 1.755) 20.659 3.808 ( -2.490 0.000 4.959) 5.549 3.971 ( 17.360 0.000 8.084) 19.150 4.129 ( 1.759 0.000 -5.519) 5.793 4.200 ( 0.774 0.000 -0.452) 0.896 4.660 ( 6.714 0.000 -0.189) 6.717 4.667 ( 1.129 0.000 -1.213) 1.658 4.700 ( 15.636 0.000 -3.872) 16.109 4.790 ( 3.697 0.000 1.565) 4.014 4.959 ( -3.491 0.000 4.172) 5.440 5.117 ( 6.719 0.000 -8.528) 10.857 5.208 ( -6.335 0.000 6.909) 9.374 5.278 ( -3.039 0.000 4.596) 5.510 5.518 ( 0.852 0.000 -2.013) 2.186 5.532 ( 7.490 0.000 -1.851) 7.715 5.577 ( -2.534 0.000 -4.526) 5.187 5.715 ( 10.849 0.000 -4.086) 11.593 5.843 ( -1.473 0.000 -0.843) 1.697 5.885 ( -2.371 0.000 -1.325) 2.716 6.030 ( -0.395 0.000 -0.837) 0.926 6.401 ( -0.574 0.000 3.406) 3.454 6.564 ( 13.413 0.000 -7.813) 15.522 6.587 ( 11.986 0.000 -4.010) 12.639 6.728 ( 0.716 0.000 7.062) 7.098 6.814 ( -5.422 0.000 0.668) 5.463 6.979 ( 3.263 0.000 -2.502) 4.112 7.096 ( -10.006 0.000 4.548) 10.992 7.100 ( 2.741 0.000 1.459) 3.105 7.253 ( -5.969 0.000 -1.525) 6.161 7.272 ( 9.645 0.000 6.811) 11.807 7.427 ( -16.953 0.000 -3.962) 17.410 7.505 ( -16.202 0.000 -2.002) 16.325 7.530 ( -9.316 0.000 0.546) 9.332 7.990 ( -0.381 0.000 2.707) 2.734 8.137 ( -0.055 0.000 6.498) 6.498 8.277 ( -10.775 0.000 -3.557) 11.346 8.468 ( 10.517 0.000 -12.790) 16.559 8.663 ( -7.410 0.000 0.958) 7.472 8.922 ( -7.084 0.000 9.633) 11.957 9.326 ( 1.512 0.000 2.507) 2.927 9.498 ( -4.244 0.000 0.685) 4.299 9.729 ( -2.037 0.000 -1.554) 2.562 10.199 ( 2.373 0.000 -3.131) 3.929 10.704 ( 1.676 0.000 0.315) 1.705 11.383 ( 1.649 0.000 1.276) 2.085 11.786 ( 0.504 0.000 -0.909) 1.039 11.866 ( -0.135 0.000 0.873) 0.883 12.573 ( 0.323 0.000 -2.088) 2.113 12.633 ( 2.217 0.000 -1.117) 2.483 13.076 ( -0.919 0.000 -1.154) 1.475 13.253 ( 0.708 0.000 -0.374) 0.801 13.335 ( -0.025 0.000 2.195) 2.195 14.001 ( 0.784 0.000 -0.727) 1.069 14.108 ( 0.656 0.000 1.097) 1.278 14.607 ( -0.171 0.000 1.538) 1.547 14.833 ( 0.814 0.000 -0.883) 1.201 15.031 ( -1.040 0.000 3.325) 3.484 15.189 ( -1.249 0.000 -1.594) 2.025 15.284 ( -1.819 0.000 -1.702) 2.491 16.175 ( -0.257 0.000 -0.233) 0.347 16.337 ( -0.350 0.000 -0.187) 0.396 16.661 ( -0.210 0.000 -0.402) 0.453 16.817 ( -0.131 0.000 -0.166) 0.211 17.041 ( 0.058 0.000 0.304) 0.310 17.085 ( -0.093 0.000 0.953) 0.958 20.696 ( -0.262 0.000 -3.265) 3.276 20.953 ( -0.503 0.000 1.375) 1.464 21.075 ( -1.381 0.000 0.257) 1.405 21.390 ( -0.301 0.000 1.045) 1.088 22.072 ( 2.705 0.000 -1.183) 2.953 22.621 ( -0.176 0.000 2.240) 2.247 23.400 ( 0.813 0.000 -0.036) 0.814 23.656 ( 0.274 0.000 0.005) 0.274 24.128 ( -0.214 0.000 0.237) 0.319 24.756 ( -0.292 0.000 -2.147) 2.167 26.134 ( -0.542 0.000 -2.141) 2.209 26.262 ( -2.239 0.000 1.223) 2.551 26.338 ( -0.017 0.000 -0.219) 0.219 26.837 ( 0.180 0.000 -0.316) 0.363 26.930 ( 0.040 0.000 0.344) 0.347 26.945 ( -0.048 0.000 0.555) 0.557 27.481 ( -0.141 0.000 0.269) 0.303 27.528 ( 5.353 0.000 -1.700) 5.616 27.645 ( -0.188 0.000 -0.135) 0.231 27.675 ( -3.652 0.000 0.232) 3.659 28.035 ( -7.067 0.000 2.100) 7.373 28.842 ( 2.778 0.000 1.184) 3.020 29.250 ( 2.467 0.000 -3.453) 4.244 30.855 ( 0.690 0.000 0.615) 0.924 30.929 ( 11.151 0.000 0.060) 11.151 31.451 ( -8.525 0.000 2.855) 8.991 ======================= Grid point 7 (5/108) ======================= q-point: ( 0.00 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( 0.000 37.968 0.000) 37.968 0.967 ( 0.000 47.650 0.000) 47.650 1.462 ( 0.000 71.140 0.000) 71.140 2.897 ( 0.000 -4.517 0.000) 4.517 3.297 ( 0.000 -7.223 0.000) 7.223 3.585 ( 0.000 8.162 0.000) 8.162 3.832 ( 0.000 10.807 0.000) 10.807 3.839 ( 0.000 -1.056 0.000) 1.056 4.009 ( 0.000 11.982 0.000) 11.982 4.192 ( 0.000 7.547 0.000) 7.547 4.367 ( 0.000 -7.231 0.000) 7.231 4.596 ( 0.000 -1.564 0.000) 1.564 4.689 ( 0.000 -3.875 0.000) 3.875 4.819 ( 0.000 -9.291 0.000) 9.291 4.933 ( 0.000 3.150 0.000) 3.150 4.945 ( 0.000 1.788 0.000) 1.788 5.168 ( 0.000 -2.710 0.000) 2.710 5.378 ( 0.000 -1.503 0.000) 1.503 5.525 ( 0.000 -1.980 0.000) 1.980 5.567 ( 0.000 5.192 0.000) 5.192 5.661 ( 0.000 4.893 0.000) 4.893 5.740 ( 0.000 -11.534 0.000) 11.534 5.799 ( 0.000 -9.399 0.000) 9.399 5.815 ( 0.000 -2.127 0.000) 2.127 6.041 ( 0.000 5.771 0.000) 5.771 6.146 ( 0.000 13.204 0.000) 13.204 6.218 ( 0.000 -0.801 0.000) 0.801 6.316 ( 0.000 -2.279 0.000) 2.279 6.424 ( 0.000 -3.443 0.000) 3.443 6.997 ( 0.000 1.000 0.000) 1.000 7.121 ( 0.000 -6.257 0.000) 6.257 7.134 ( 0.000 0.361 0.000) 0.361 7.300 ( 0.000 0.158 0.000) 0.158 7.358 ( 0.000 -3.788 0.000) 3.788 7.429 ( 0.000 3.379 0.000) 3.379 7.627 ( 0.000 5.089 0.000) 5.089 8.195 ( 0.000 1.674 0.000) 1.674 8.351 ( 0.000 1.927 0.000) 1.927 8.433 ( 0.000 4.513 0.000) 4.513 8.515 ( 0.000 4.390 0.000) 4.390 8.594 ( 0.000 3.951 0.000) 3.951 8.621 ( 0.000 0.302 0.000) 0.302 8.928 ( 0.000 0.716 0.000) 0.716 8.956 ( 0.000 -8.686 0.000) 8.686 9.413 ( 0.000 13.561 0.000) 13.561 9.701 ( 0.000 -0.840 0.000) 0.840 9.901 ( 0.000 0.869 0.000) 0.869 9.944 ( 0.000 9.059 0.000) 9.059 10.586 ( 0.000 -1.863 0.000) 1.863 11.270 ( 0.000 1.950 0.000) 1.950 11.462 ( 0.000 -6.301 0.000) 6.301 11.814 ( 0.000 -8.152 0.000) 8.152 12.524 ( 0.000 1.293 0.000) 1.293 12.656 ( 0.000 3.583 0.000) 3.583 13.113 ( 0.000 -5.917 0.000) 5.917 13.284 ( 0.000 -1.006 0.000) 1.006 13.316 ( 0.000 6.500 0.000) 6.500 13.857 ( 0.000 -17.879 0.000) 17.879 13.919 ( 0.000 -0.405 0.000) 0.405 14.212 ( 0.000 -10.131 0.000) 10.131 14.690 ( 0.000 2.799 0.000) 2.799 15.202 ( 0.000 -14.044 0.000) 14.044 15.378 ( 0.000 7.530 0.000) 7.530 16.139 ( 0.000 -5.351 0.000) 5.351 16.364 ( 0.000 -1.291 0.000) 1.291 16.407 ( 0.000 -10.504 0.000) 10.504 16.684 ( 0.000 0.042 0.000) 0.042 16.850 ( 0.000 -10.215 0.000) 10.215 16.938 ( 0.000 8.796 0.000) 8.796 17.230 ( 0.000 3.581 0.000) 3.581 20.350 ( 0.000 -7.696 0.000) 7.696 20.945 ( 0.000 3.800 0.000) 3.800 21.339 ( 0.000 -4.839 0.000) 4.839 21.945 ( 0.000 9.085 0.000) 9.085 22.394 ( 0.000 -4.064 0.000) 4.064 22.523 ( 0.000 13.281 0.000) 13.281 23.451 ( 0.000 10.243 0.000) 10.243 23.649 ( 0.000 2.080 0.000) 2.080 24.232 ( 0.000 7.646 0.000) 7.646 24.735 ( 0.000 -9.470 0.000) 9.470 26.015 ( 0.000 -3.296 0.000) 3.296 26.277 ( 0.000 -8.925 0.000) 8.925 26.495 ( 0.000 -5.530 0.000) 5.530 26.848 ( 0.000 3.264 0.000) 3.264 26.955 ( 0.000 0.021 0.000) 0.021 27.410 ( 0.000 14.077 0.000) 14.077 27.690 ( 0.000 2.992 0.000) 2.992 27.709 ( 0.000 15.430 0.000) 15.430 27.959 ( 0.000 2.141 0.000) 2.141 28.108 ( 0.000 0.796 0.000) 0.796 28.264 ( 0.000 0.929 0.000) 0.929 28.571 ( 0.000 -2.378 0.000) 2.378 28.858 ( 0.000 -1.333 0.000) 1.333 29.998 ( 0.000 -13.752 0.000) 13.752 30.459 ( 0.000 7.162 0.000) 7.162 30.750 ( 0.000 -2.815 0.000) 2.815 ======================= Grid point 8 (6/108) ======================= q-point: ( 0.14 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 25.196 28.708 3.437) 38.351 1.248 ( 36.871 23.358 19.588) 47.841 2.234 ( 54.404 50.000 -8.135) 74.337 2.941 ( 4.576 -1.982 11.362) 12.408 3.320 ( 2.491 -5.477 0.977) 6.096 3.640 ( 4.547 7.374 -2.275) 8.957 3.820 ( 3.045 2.515 -0.541) 3.986 3.913 ( 2.571 3.264 -7.543) 8.612 4.078 ( 3.602 7.015 7.070) 10.591 4.209 ( 1.513 7.046 -3.946) 8.216 4.407 ( 5.745 -4.904 4.294) 8.689 4.580 ( -8.494 -3.820 1.369) 9.413 4.701 ( 7.744 -5.441 0.425) 9.474 4.849 ( -3.659 2.309 -3.804) 5.761 4.931 ( 9.238 -2.614 -3.706) 10.291 5.101 ( 6.176 -1.308 -3.604) 7.269 5.175 ( 0.811 -3.251 -6.473) 7.289 5.336 ( -6.202 5.767 7.320) 11.194 5.376 ( -5.452 -0.604 5.045) 7.453 5.518 ( -10.982 3.127 -5.311) 12.593 5.594 ( -3.228 3.564 -6.795) 8.325 5.718 ( 0.038 -6.104 3.335) 6.956 5.797 ( 0.817 -1.034 -1.067) 1.696 5.860 ( 2.436 0.689 3.393) 4.233 5.970 ( 0.864 -1.831 -5.141) 5.525 6.129 ( 2.190 7.693 -6.140) 10.084 6.266 ( -0.376 12.547 -3.089) 12.927 6.361 ( 3.744 0.683 2.536) 4.573 6.493 ( 6.246 -2.923 0.073) 6.897 6.708 ( -10.035 9.476 2.453) 14.018 7.005 ( -5.441 -1.963 1.737) 6.040 7.030 ( 1.328 -1.146 -2.264) 2.864 7.205 ( -4.979 3.846 3.393) 7.148 7.357 ( 0.198 0.462 -2.711) 2.758 7.434 ( 1.193 -1.987 4.166) 4.768 7.702 ( 6.339 1.818 2.427) 7.027 8.107 ( -12.917 2.974 -3.085) 13.609 8.301 ( -3.113 1.818 3.545) 5.056 8.341 ( -12.425 1.989 6.020) 13.949 8.420 ( -9.100 2.137 -1.578) 9.480 8.528 ( -8.531 -0.716 -4.505) 9.674 8.724 ( -5.216 -8.615 -4.253) 10.932 8.931 ( -1.452 -6.872 -2.286) 7.386 9.044 ( 0.068 -4.068 7.697) 8.706 9.455 ( 0.524 12.133 6.342) 13.700 9.656 ( -0.632 -0.306 -3.975) 4.037 9.946 ( 3.446 6.518 -10.153) 12.548 10.007 ( 4.605 4.359 7.101) 9.520 10.596 ( 1.233 -1.726 0.024) 2.121 11.287 ( 1.611 1.356 2.095) 2.970 11.518 ( 5.400 -7.936 -0.281) 9.603 11.810 ( -0.518 -7.711 0.664) 7.757 12.513 ( -0.819 1.847 -3.082) 3.685 12.665 ( 1.572 4.639 -2.599) 5.545 13.119 ( 0.316 -5.106 -2.074) 5.520 13.241 ( -3.209 1.145 2.652) 4.318 13.345 ( 2.477 5.629 -0.785) 6.200 13.837 ( -0.883 -8.559 6.075) 10.532 13.912 ( 1.777 -10.882 -5.043) 12.124 14.280 ( 4.020 -13.842 3.473) 14.826 14.732 ( 2.894 -0.114 -5.474) 6.193 15.167 ( -2.846 -11.821 -1.002) 12.199 15.338 ( -3.789 8.707 1.091) 9.558 15.927 ( -24.630 14.376 1.167) 28.542 16.141 ( -1.509 -5.750 0.324) 5.954 16.361 ( -1.800 -0.929 -1.888) 2.769 16.671 ( -0.742 0.262 -0.752) 1.089 16.845 ( -0.408 -7.708 6.541) 10.117 16.887 ( -1.322 4.092 -8.984) 9.960 17.225 ( -0.920 3.599 4.403) 5.761 20.453 ( 5.823 -13.742 -1.737) 15.025 20.941 ( -0.508 4.343 -3.825) 5.809 21.334 ( -0.503 -5.495 2.606) 6.103 21.743 ( -21.155 21.812 -7.889) 31.393 22.103 ( 1.342 16.569 3.028) 16.897 22.639 ( 2.064 5.476 11.368) 12.786 23.410 ( -0.578 7.610 -0.939) 7.689 23.644 ( 0.122 0.826 -1.217) 1.476 24.260 ( 0.790 9.348 0.045) 9.381 24.709 ( -1.110 -7.565 -3.125) 8.260 26.079 ( 2.948 -6.356 -8.817) 11.262 26.243 ( -3.373 -11.305 -0.532) 11.810 26.446 ( -2.995 0.868 -0.171) 3.122 26.851 ( 0.295 2.949 0.027) 2.964 26.956 ( 0.082 0.773 0.079) 0.782 27.312 ( -15.757 22.193 -6.500) 27.983 27.444 ( 1.875 15.750 -1.184) 15.905 27.679 ( -2.953 6.757 1.385) 7.503 27.699 ( -2.130 10.307 4.404) 11.409 28.016 ( -6.357 2.544 0.979) 6.917 28.434 ( -6.459 -3.051 2.445) 7.550 28.598 ( 6.031 0.080 0.137) 6.033 28.929 ( 7.940 -3.995 -5.892) 10.664 30.272 ( 13.108 -9.248 1.372) 16.101 30.752 ( 1.916 -4.454 1.864) 5.195 31.102 ( 26.870 -35.664 13.965) 46.787 ======================= Grid point 9 (7/108) ======================= q-point: ( 0.29 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 39.782 7.776 -3.348) 40.673 2.047 ( 39.519 13.993 15.782) 44.795 3.011 ( 7.811 2.425 13.988) 16.203 3.321 ( 29.688 18.914 -2.870) 35.317 3.437 ( 16.130 4.744 -0.642) 16.825 3.708 ( 0.811 6.744 4.043) 7.905 3.894 ( -4.371 -2.849 -3.601) 6.340 3.935 ( 3.411 0.089 -6.883) 7.682 4.116 ( 0.285 1.837 -2.030) 2.753 4.215 ( 0.713 3.407 5.058) 6.140 4.374 ( -2.071 -4.167 -3.727) 5.962 4.611 ( 6.784 3.144 -0.427) 7.489 4.741 ( -5.468 0.538 -5.382) 7.691 4.830 ( 2.889 -6.744 2.033) 7.614 4.952 ( -6.707 3.134 9.621) 12.140 5.078 ( -2.097 3.163 -3.188) 4.957 5.248 ( 6.836 -9.794 -3.535) 12.456 5.298 ( -0.944 -3.010 5.292) 6.161 5.384 ( 2.055 6.905 5.488) 9.056 5.456 ( 7.589 4.256 -12.729) 15.419 5.579 ( 3.675 7.244 -7.510) 11.062 5.757 ( 2.915 -1.966 2.995) 4.619 5.875 ( 3.253 5.784 -1.231) 6.749 5.931 ( 2.049 2.605 -5.831) 6.707 6.001 ( 0.995 -3.374 -3.545) 4.994 6.171 ( 8.763 6.958 -4.555) 12.081 6.316 ( 6.726 2.098 -5.582) 8.989 6.433 ( 2.893 3.276 2.414) 4.993 6.659 ( 9.947 -5.218 -3.021) 11.632 6.742 ( 2.010 -4.330 6.367) 7.957 6.938 ( 3.460 -2.033 2.488) 4.722 7.066 ( -6.509 1.425 1.952) 6.944 7.122 ( 5.575 5.314 2.328) 8.047 7.264 ( -7.485 0.512 1.412) 7.635 7.475 ( 0.171 -5.169 1.984) 5.539 7.779 ( -16.690 4.309 3.439) 17.577 7.851 ( 1.665 -1.263 -1.613) 2.641 7.980 ( -20.300 2.409 0.705) 20.455 7.982 ( -23.038 2.797 1.441) 23.252 8.310 ( -9.047 0.202 4.710) 10.202 8.312 ( -6.221 -2.526 -6.022) 9.019 8.556 ( -9.669 0.406 -3.420) 10.264 8.785 ( -7.719 -0.969 -3.301) 8.451 9.000 ( -3.555 -2.579 9.588) 10.546 9.402 ( -2.797 2.128 -1.037) 3.664 9.659 ( -0.973 11.471 3.361) 11.993 9.949 ( -3.152 10.603 -1.633) 11.182 10.119 ( 5.709 1.511 -4.076) 7.176 10.640 ( 2.789 -1.341 0.535) 3.141 11.330 ( 2.341 0.025 2.345) 3.314 11.633 ( 4.782 -9.449 -0.900) 10.628 11.799 ( -0.332 -6.881 1.777) 7.114 12.491 ( -1.149 0.764 -4.913) 5.104 12.732 ( 4.508 6.743 -1.878) 8.326 13.116 ( -0.556 -2.203 -4.814) 5.323 13.187 ( -1.916 -1.011 4.990) 5.440 13.399 ( 2.475 5.552 0.307) 6.087 13.858 ( 2.336 -8.506 1.302) 8.916 13.963 ( 2.570 -11.610 -0.510) 11.902 14.348 ( 2.814 -15.479 3.854) 16.197 14.762 ( -0.547 -2.655 -4.396) 5.165 15.114 ( -2.126 -10.630 -1.984) 11.021 15.258 ( -2.526 10.613 5.436) 12.189 15.582 ( -11.358 12.235 -2.184) 16.837 16.117 ( -1.033 -7.014 0.090) 7.090 16.325 ( -1.477 -2.342 -0.047) 2.770 16.656 ( -0.628 -0.095 -0.664) 0.918 16.840 ( -0.054 -2.591 6.584) 7.076 16.873 ( -0.365 -3.020 -8.116) 8.667 17.200 ( -1.301 2.498 3.272) 4.317 20.534 ( 2.515 -14.412 -0.710) 14.647 20.925 ( -0.840 5.323 -3.639) 6.503 21.313 ( -1.787 -6.355 2.755) 7.154 21.432 ( -9.604 20.751 -1.436) 22.911 22.196 ( 5.089 9.700 -0.005) 10.954 22.663 ( 0.860 9.281 4.749) 10.461 23.424 ( 1.276 4.267 -0.428) 4.475 23.651 ( 0.494 0.372 -0.560) 0.834 24.261 ( -0.308 11.013 0.546) 11.031 24.699 ( -0.020 -5.961 -4.270) 7.333 26.104 ( 0.029 -4.802 -5.312) 7.161 26.161 ( -3.970 -12.030 1.358) 12.740 26.405 ( -1.216 3.986 -0.457) 4.192 26.858 ( 0.340 2.470 0.231) 2.504 26.956 ( -0.056 1.425 -0.081) 1.429 27.152 ( -3.140 16.421 -1.501) 16.786 27.526 ( 5.437 12.933 -1.775) 14.141 27.619 ( -2.014 9.850 -0.675) 10.076 27.661 ( -2.241 3.049 3.669) 5.270 27.884 ( -5.655 7.023 0.497) 9.031 28.237 ( -10.993 -0.510 2.923) 11.386 28.722 ( 5.572 -1.720 1.252) 5.964 29.099 ( 7.347 -4.802 -6.608) 10.986 30.568 ( 15.722 -7.624 0.589) 17.483 30.788 ( 1.614 -4.004 1.268) 4.499 31.317 ( -0.798 -26.161 7.822) 27.317 ======================= Grid point 10 (8/108) ======================= q-point: ( 0.43 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.594 ( 36.265 5.116 -1.136) 36.642 2.766 ( 26.874 9.938 5.301) 29.139 3.124 ( 2.418 2.035 8.322) 8.902 3.399 ( -13.116 -4.444 9.249) 16.653 3.520 ( -6.962 6.616 -6.253) 11.460 3.540 ( -14.957 -0.162 -8.902) 17.406 3.871 ( -1.508 4.900 3.369) 6.134 4.001 ( 5.437 -4.234 3.133) 7.570 4.081 ( -0.807 -5.682 -5.205) 7.748 4.185 ( -1.031 0.784 -0.829) 1.538 4.577 ( -2.576 -3.824 -1.930) 4.998 4.723 ( 4.759 0.025 -1.104) 4.886 4.770 ( 4.914 1.352 -0.105) 5.098 4.912 ( 5.435 4.842 -2.636) 7.742 4.961 ( 11.657 8.819 7.129) 16.262 5.042 ( 6.345 -5.995 -0.885) 8.774 5.254 ( -3.517 4.657 -2.953) 6.541 5.300 ( -0.561 2.216 3.639) 4.297 5.460 ( 5.063 -0.093 1.146) 5.192 5.609 ( 3.988 5.116 -6.215) 8.983 5.754 ( 7.096 8.099 3.010) 11.180 5.824 ( 3.048 7.315 -5.205) 9.481 5.867 ( -1.802 0.686 -0.396) 1.969 5.893 ( -1.535 4.336 -1.899) 4.976 6.009 ( 0.060 2.465 -1.258) 2.768 6.381 ( -0.189 -4.297 2.166) 4.816 6.490 ( 2.168 -4.995 0.149) 5.447 6.582 ( 15.146 2.069 -7.916) 17.214 6.676 ( -0.352 -2.718 1.896) 3.333 6.808 ( 0.305 -2.309 -1.475) 2.757 6.976 ( 4.365 -1.178 2.927) 5.386 7.043 ( 0.330 0.006 0.925) 0.982 7.167 ( -6.763 3.197 1.976) 7.737 7.236 ( 4.311 -0.076 5.335) 6.860 7.371 ( -14.758 0.454 -4.189) 15.348 7.402 ( -14.165 -3.718 -2.191) 14.808 7.445 ( -3.797 5.109 4.190) 7.621 7.647 ( -11.244 6.174 -1.380) 12.901 8.005 ( -0.033 1.749 2.168) 2.785 8.153 ( -0.495 0.563 5.440) 5.491 8.242 ( -3.088 -2.232 -0.123) 3.812 8.404 ( -1.390 -4.247 -9.298) 10.316 8.595 ( -10.659 -5.807 1.371) 12.216 8.949 ( -1.124 4.428 4.079) 6.125 9.402 ( 2.033 -1.646 -2.159) 3.392 9.611 ( -2.762 18.891 2.529) 19.258 9.878 ( -2.525 11.382 0.187) 11.660 10.200 ( 2.001 0.310 -2.388) 3.131 10.688 ( 1.477 -1.476 0.371) 2.121 11.369 ( 1.213 -1.235 1.067) 2.034 11.694 ( 1.363 -8.576 -0.924) 8.733 11.797 ( 0.014 -6.372 1.243) 6.492 12.476 ( -0.282 -0.197 -2.318) 2.343 12.811 ( 2.468 7.608 -0.584) 8.020 13.111 ( 0.159 2.388 -2.945) 3.795 13.158 ( -0.997 -5.416 3.090) 6.315 13.435 ( 0.904 6.273 0.245) 6.342 13.902 ( 1.412 -7.079 0.165) 7.221 13.999 ( 0.876 -11.024 -0.073) 11.059 14.391 ( 1.200 -16.358 1.692) 16.489 14.726 ( -1.772 -3.179 -1.328) 3.874 15.080 ( -1.026 -10.537 -0.961) 10.630 15.276 ( 3.975 10.659 6.310) 13.009 15.398 ( -7.433 9.338 -4.899) 12.901 16.101 ( -0.427 -7.713 0.044) 7.725 16.305 ( -0.458 -2.985 0.044) 3.020 16.647 ( -0.224 -0.281 -0.291) 0.463 16.841 ( 0.087 1.937 3.066) 3.628 16.868 ( -0.119 -8.114 -3.614) 8.884 17.180 ( -0.573 1.365 1.236) 1.928 20.566 ( 0.738 -14.211 -0.112) 14.231 20.912 ( -0.383 6.049 -1.426) 6.227 21.257 ( -2.497 4.531 0.806) 5.236 21.334 ( -1.390 5.927 0.049) 6.088 22.271 ( 1.921 5.941 -0.141) 6.246 22.678 ( 0.458 12.356 1.195) 12.422 23.446 ( 0.635 3.106 -0.070) 3.171 23.660 ( 0.256 0.276 -0.164) 0.410 24.255 ( -0.201 11.469 0.300) 11.475 24.702 ( 0.163 -4.550 -1.833) 4.908 26.098 ( -0.297 -3.946 -1.838) 4.363 26.103 ( -1.502 -11.045 1.058) 11.197 26.389 ( -0.395 4.151 -0.246) 4.177 26.864 ( 0.158 2.298 0.165) 2.310 26.954 ( -0.119 1.291 -0.087) 1.299 27.123 ( -0.384 14.901 -0.199) 14.908 27.585 ( -0.004 10.396 0.845) 10.430 27.607 ( -1.664 0.579 -1.906) 2.596 27.665 ( 4.750 11.429 0.121) 12.377 27.809 ( -1.781 9.214 0.343) 9.391 28.036 ( -7.222 0.489 1.908) 7.486 28.806 ( 2.335 -3.316 0.996) 4.176 29.201 ( 2.512 -4.778 -3.062) 6.205 30.812 ( 0.668 -4.064 0.547) 4.154 30.877 ( 13.343 -6.648 -0.337) 14.911 31.195 ( -9.080 -21.608 2.907) 23.618 ======================= Grid point 14 (9/108) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 0.000 35.895 0.000) 35.895 1.908 ( 0.000 45.320 0.000) 45.320 2.801 ( 0.000 43.381 0.000) 43.381 2.880 ( 0.000 19.121 0.000) 19.121 3.192 ( 0.000 -2.921 0.000) 2.921 3.706 ( 0.000 3.832 0.000) 3.832 3.804 ( 0.000 -2.233 0.000) 2.233 3.979 ( 0.000 -4.144 0.000) 4.144 4.180 ( 0.000 4.952 0.000) 4.952 4.225 ( 0.000 3.518 0.000) 3.518 4.414 ( 0.000 4.004 0.000) 4.004 4.516 ( 0.000 0.310 0.000) 0.310 4.576 ( 0.000 -6.424 0.000) 6.424 4.702 ( 0.000 -4.253 0.000) 4.253 5.032 ( 0.000 3.994 0.000) 3.994 5.032 ( 0.000 5.541 0.000) 5.541 5.148 ( 0.000 2.925 0.000) 2.925 5.308 ( 0.000 -15.513 0.000) 15.513 5.319 ( 0.000 -4.848 0.000) 4.848 5.513 ( 0.000 -8.941 0.000) 8.941 5.607 ( 0.000 -1.850 0.000) 1.850 5.756 ( 0.000 11.539 0.000) 11.539 5.803 ( 0.000 2.448 0.000) 2.448 5.836 ( 0.000 6.413 0.000) 6.413 6.017 ( 0.000 -5.611 0.000) 5.611 6.142 ( 0.000 -9.969 0.000) 9.969 6.272 ( 0.000 -2.800 0.000) 2.800 6.463 ( 0.000 14.910 0.000) 14.910 6.515 ( 0.000 13.990 0.000) 13.990 6.898 ( 0.000 -7.874 0.000) 7.874 7.053 ( 0.000 -2.158 0.000) 2.158 7.132 ( 0.000 -0.674 0.000) 0.674 7.230 ( 0.000 -6.400 0.000) 6.400 7.271 ( 0.000 -4.603 0.000) 4.603 7.541 ( 0.000 6.243 0.000) 6.243 7.726 ( 0.000 3.962 0.000) 3.962 8.243 ( 0.000 2.862 0.000) 2.862 8.388 ( 0.000 1.197 0.000) 1.197 8.550 ( 0.000 7.046 0.000) 7.046 8.612 ( 0.000 0.104 0.000) 0.104 8.672 ( 0.000 9.929 0.000) 9.929 8.726 ( 0.000 7.965 0.000) 7.965 8.783 ( 0.000 -7.248 0.000) 7.248 8.971 ( 0.000 3.390 0.000) 3.390 9.687 ( 0.000 11.559 0.000) 11.559 9.724 ( 0.000 3.070 0.000) 3.070 9.951 ( 0.000 5.766 0.000) 5.766 10.114 ( 0.000 6.071 0.000) 6.071 10.536 ( 0.000 -1.973 0.000) 1.973 11.301 ( 0.000 -0.187 0.000) 0.187 11.342 ( 0.000 -4.134 0.000) 4.134 11.636 ( 0.000 -7.619 0.000) 7.619 12.562 ( 0.000 1.304 0.000) 1.304 12.747 ( 0.000 6.339 0.000) 6.339 12.948 ( 0.000 -9.727 0.000) 9.727 13.254 ( 0.000 -1.975 0.000) 1.975 13.326 ( 0.000 -19.816 0.000) 19.816 13.536 ( 0.000 1.129 0.000) 1.129 13.903 ( 0.000 -1.549 0.000) 1.549 14.042 ( 0.000 -7.716 0.000) 7.716 14.654 ( 0.000 -5.861 0.000) 5.861 14.801 ( 0.000 -24.756 0.000) 24.756 15.471 ( 0.000 -0.433 0.000) 0.433 16.008 ( 0.000 -7.478 0.000) 7.478 16.156 ( 0.000 -12.747 0.000) 12.747 16.364 ( 0.000 2.558 0.000) 2.558 16.696 ( 0.000 1.008 0.000) 1.008 16.709 ( 0.000 -3.138 0.000) 3.138 17.116 ( 0.000 7.634 0.000) 7.634 17.174 ( 0.000 -9.334 0.000) 9.334 20.284 ( 0.000 4.061 0.000) 4.061 21.153 ( 0.000 14.903 0.000) 14.903 21.257 ( 0.000 -2.197 0.000) 2.197 21.967 ( 0.000 -4.234 0.000) 4.234 22.282 ( 0.000 -7.499 0.000) 7.499 22.932 ( 0.000 23.087 0.000) 23.087 23.509 ( 0.000 -6.086 0.000) 6.086 23.784 ( 0.000 9.590 0.000) 9.590 24.428 ( 0.000 10.836 0.000) 10.836 24.539 ( 0.000 -7.469 0.000) 7.469 25.925 ( 0.000 -5.301 0.000) 5.301 26.024 ( 0.000 -12.163 0.000) 12.163 26.545 ( 0.000 6.891 0.000) 6.891 26.919 ( 0.000 3.187 0.000) 3.187 26.967 ( 0.000 2.124 0.000) 2.124 27.697 ( 0.000 14.027 0.000) 14.027 27.758 ( 0.000 3.089 0.000) 3.089 28.024 ( 0.000 4.318 0.000) 4.318 28.028 ( 0.000 13.497 0.000) 13.497 28.148 ( 0.000 3.488 0.000) 3.488 28.306 ( 0.000 4.035 0.000) 4.035 28.509 ( 0.000 -3.488 0.000) 3.488 28.822 ( 0.000 -2.154 0.000) 2.154 29.702 ( 0.000 -15.373 0.000) 15.373 30.565 ( 0.000 3.335 0.000) 3.335 30.678 ( 0.000 -3.939 0.000) 3.939 ======================= Grid point 15 (10/108) ======================= q-point: ( 0.14 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( 18.711 30.142 14.058) 38.161 1.882 ( 8.462 41.134 8.066) 42.763 2.903 ( 5.619 1.560 4.528) 7.384 3.250 ( 10.357 3.759 3.613) 11.595 3.314 ( 30.942 43.759 -7.894) 54.171 3.768 ( 6.256 5.116 -1.882) 8.298 3.830 ( 2.577 -0.922 -3.374) 4.344 3.984 ( 0.958 -2.112 0.067) 2.321 4.123 ( -0.246 2.641 -1.346) 2.975 4.267 ( -6.786 -2.395 -5.159) 8.855 4.453 ( 9.888 6.241 3.193) 12.121 4.481 ( -6.447 -5.510 3.671) 9.241 4.593 ( 3.495 0.512 0.894) 3.643 4.834 ( 10.600 -6.984 -2.583) 12.954 4.954 ( -6.817 4.328 -1.592) 8.230 5.086 ( 0.629 -2.827 -2.157) 3.611 5.160 ( 2.800 5.067 2.533) 6.319 5.258 ( -4.740 -11.637 3.718) 13.104 5.362 ( 5.679 -1.038 -10.499) 11.982 5.494 ( -3.147 -1.270 -1.535) 3.725 5.638 ( 1.676 0.488 1.309) 2.182 5.691 ( 2.702 0.949 -1.302) 3.146 5.809 ( -0.949 6.729 -4.674) 8.248 5.925 ( 4.334 5.554 0.137) 7.046 5.961 ( -3.007 -2.298 -0.026) 3.784 6.168 ( 1.347 -4.893 6.379) 8.152 6.311 ( 4.138 -2.095 -0.107) 4.639 6.440 ( -0.036 8.930 -6.338) 10.950 6.599 ( 7.353 8.929 6.430) 13.234 6.830 ( -7.909 -1.527 -3.556) 8.805 6.959 ( -10.002 0.792 1.435) 10.135 7.005 ( -0.250 -0.945 1.399) 1.707 7.262 ( 0.006 0.791 -1.226) 1.459 7.320 ( 4.777 -3.448 -0.797) 5.945 7.466 ( -6.900 4.552 2.954) 8.778 7.739 ( 0.891 1.513 0.658) 1.875 8.178 ( -11.449 3.620 -4.313) 12.759 8.288 ( -2.200 -1.756 1.481) 3.180 8.420 ( -12.461 5.248 5.489) 14.593 8.483 ( -14.260 -4.324 -3.355) 15.274 8.536 ( -10.360 7.835 2.002) 13.142 8.659 ( -3.547 3.090 0.787) 4.770 8.868 ( 1.990 0.256 -0.790) 2.156 9.025 ( 1.265 2.214 1.295) 2.860 9.568 ( -8.264 2.549 -6.301) 10.700 9.845 ( 8.749 13.024 4.822) 16.414 10.047 ( 7.016 6.398 -0.768) 9.526 10.147 ( 2.413 6.299 1.383) 6.886 10.546 ( 1.334 -2.266 -0.841) 2.761 11.308 ( 0.681 -0.393 0.098) 0.792 11.376 ( 3.173 -4.678 1.788) 5.929 11.637 ( 0.078 -7.627 -0.504) 7.644 12.579 ( 0.981 2.968 0.663) 3.196 12.740 ( 0.368 3.915 -4.178) 5.738 12.965 ( 1.405 -9.339 -0.739) 9.473 13.219 ( -2.032 -4.513 -1.357) 5.132 13.381 ( 3.895 -13.119 -0.142) 13.686 13.558 ( 2.007 -1.400 6.308) 6.766 13.856 ( -2.583 0.182 -0.400) 2.620 14.072 ( 1.937 -8.632 0.614) 8.868 14.666 ( 0.879 -6.494 -2.917) 7.173 14.796 ( -0.435 -23.536 -0.760) 23.552 15.458 ( -1.440 0.713 -0.899) 1.841 15.929 ( -15.049 -9.752 3.695) 18.309 16.001 ( -2.904 -4.968 0.792) 5.809 16.351 ( -2.171 1.359 0.002) 2.561 16.689 ( -0.619 1.077 -1.312) 1.807 16.716 ( 0.534 -2.898 0.633) 3.014 17.035 ( -4.748 5.424 -6.793) 9.905 17.180 ( -1.228 -6.940 6.187) 9.379 20.323 ( 2.889 2.530 0.728) 3.909 21.150 ( -0.285 14.653 -4.276) 15.267 21.238 ( -1.804 -2.877 2.211) 4.052 21.925 ( -5.287 -0.473 -0.866) 5.378 22.204 ( -4.213 -3.070 3.569) 6.318 22.971 ( 3.193 22.004 0.334) 22.237 23.486 ( -1.924 -4.706 2.806) 5.807 23.719 ( -3.625 7.936 -4.319) 9.735 24.473 ( 2.774 10.798 0.054) 11.149 24.550 ( 1.211 -5.947 -2.548) 6.582 25.943 ( 0.760 -7.397 -1.674) 7.622 26.000 ( -1.617 -10.351 -0.893) 10.515 26.540 ( -0.431 7.353 -0.493) 7.382 26.915 ( -0.310 2.867 0.862) 3.010 26.974 ( 0.433 1.988 -1.531) 2.546 27.619 ( -8.500 11.354 -4.768) 14.963 27.738 ( -1.970 3.162 -2.989) 4.776 27.824 ( -3.567 17.298 2.722) 17.871 28.024 ( -4.618 15.436 6.207) 17.266 28.099 ( -2.161 6.136 -0.957) 6.575 28.375 ( -3.857 -2.087 2.170) 4.893 28.584 ( 7.441 -1.593 1.675) 7.792 28.839 ( 3.816 -4.453 -6.210) 8.541 29.920 ( 16.022 -21.535 2.995) 27.008 30.651 ( 3.129 -3.719 2.823) 5.620 30.756 ( 9.239 -6.535 1.893) 11.474 ======================= Grid point 16 (11/108) ======================= q-point: ( 0.29 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( 22.814 20.775 3.631) 31.068 2.399 ( 31.276 21.505 15.615) 41.043 3.053 ( 8.637 1.592 7.223) 11.371 3.422 ( 9.707 4.871 4.528) 11.767 3.734 ( 4.800 7.172 -2.063) 8.873 3.842 ( -4.701 -1.760 -10.119) 11.296 3.865 ( -3.509 2.564 -0.572) 4.384 4.087 ( -0.372 13.418 5.209) 14.399 4.124 ( -2.268 -1.051 -8.692) 9.044 4.262 ( -10.053 -1.269 4.149) 10.950 4.395 ( 30.219 13.479 -3.766) 33.302 4.625 ( 1.811 -2.176 -1.626) 3.264 4.675 ( 6.054 -2.734 1.827) 6.889 4.773 ( -6.910 2.617 -0.811) 7.433 4.986 ( 0.721 -11.962 -2.251) 12.194 5.058 ( -3.351 4.888 0.884) 5.992 5.182 ( 2.270 -1.017 -2.468) 3.504 5.261 ( 6.773 3.945 4.721) 9.150 5.427 ( 4.825 -4.225 -5.176) 8.241 5.559 ( 7.129 5.429 -1.203) 9.041 5.691 ( 3.297 0.263 2.548) 4.175 5.781 ( 2.692 8.938 -6.023) 11.109 5.887 ( 2.973 -3.661 -4.047) 6.214 5.952 ( 0.958 2.064 -2.227) 3.184 6.020 ( 12.128 -0.983 -2.637) 12.451 6.189 ( 3.304 0.226 5.491) 6.412 6.388 ( 1.332 1.363 -3.751) 4.208 6.502 ( 6.439 0.689 -6.207) 8.970 6.722 ( -0.243 2.918 3.179) 4.322 6.758 ( 3.038 13.252 -0.358) 13.601 6.860 ( 3.452 -3.692 -0.162) 5.057 7.043 ( 0.212 -0.051 3.359) 3.366 7.228 ( -0.111 3.030 4.315) 5.273 7.282 ( -9.430 0.493 0.956) 9.491 7.378 ( -0.650 -3.225 0.539) 3.334 7.791 ( 3.600 -3.625 0.959) 5.198 7.874 ( -17.654 3.746 3.953) 18.474 8.030 ( -23.076 3.396 -8.619) 24.866 8.082 ( -16.612 4.390 5.187) 17.948 8.235 ( -11.505 -2.786 6.989) 13.746 8.375 ( -4.563 5.952 2.968) 8.066 8.558 ( -7.084 -0.177 -4.658) 8.480 8.746 ( -12.288 -2.216 -3.944) 13.095 9.048 ( 2.201 7.195 3.379) 8.248 9.428 ( -4.154 3.084 -6.852) 8.586 9.983 ( 3.980 15.311 3.964) 16.308 10.158 ( -0.080 9.492 0.856) 9.531 10.181 ( 3.631 5.381 -1.000) 6.568 10.597 ( 3.305 -2.278 -0.052) 4.015 11.324 ( 0.726 -1.089 2.180) 2.543 11.454 ( 3.859 -6.347 -0.194) 7.431 11.639 ( 0.231 -7.550 0.272) 7.558 12.582 ( -0.368 6.842 -1.543) 7.024 12.791 ( 4.214 -0.550 -2.017) 4.704 12.990 ( 0.852 -8.348 -1.266) 8.487 13.189 ( -0.884 -1.675 -1.232) 2.259 13.457 ( 3.287 -7.591 -0.527) 8.289 13.619 ( 3.974 -6.843 7.283) 10.755 13.839 ( 0.529 0.709 -2.663) 2.806 14.102 ( 0.898 -9.958 1.300) 10.082 14.672 ( -0.638 -6.781 -3.087) 7.478 14.785 ( -0.649 -21.155 -0.658) 21.175 15.403 ( -3.937 1.645 1.381) 4.485 15.649 ( -9.837 -5.043 1.215) 11.121 15.957 ( -2.056 -6.672 0.643) 7.011 16.295 ( -2.617 0.918 1.392) 3.103 16.673 ( -0.882 1.103 -1.703) 2.213 16.728 ( 0.612 -2.926 0.856) 3.110 16.960 ( -2.627 4.618 -5.246) 7.466 17.132 ( -2.907 -8.743 4.953) 10.461 20.370 ( 1.523 0.812 0.740) 1.878 21.144 ( -0.187 14.445 -5.222) 15.361 21.191 ( -2.571 -4.022 2.723) 5.495 21.770 ( -7.964 9.788 1.648) 12.726 22.176 ( 0.389 -6.472 1.052) 6.569 23.040 ( 3.235 21.888 -0.137) 22.126 23.454 ( -0.916 -4.318 2.184) 4.925 23.680 ( -0.666 3.849 -3.050) 4.956 24.510 ( 1.097 11.932 2.424) 12.225 24.586 ( 1.969 -3.576 -5.211) 6.619 25.917 ( -2.366 -10.049 0.838) 10.357 25.995 ( 0.475 -6.701 -2.457) 7.153 26.530 ( -0.572 8.073 -0.576) 8.114 26.911 ( -0.033 2.401 1.162) 2.668 26.977 ( -0.143 1.569 -2.045) 2.581 27.482 ( -3.766 14.077 -2.184) 14.735 27.683 ( -3.214 2.593 -2.977) 5.091 27.837 ( 2.952 15.558 2.376) 16.012 27.928 ( -3.862 15.948 4.331) 16.971 28.055 ( -2.153 9.164 0.307) 9.418 28.241 ( -7.701 1.977 1.367) 8.067 28.683 ( 3.036 -1.757 1.052) 3.662 28.969 ( 6.913 -7.685 -5.076) 11.516 30.235 ( 14.295 -24.763 1.372) 28.626 30.689 ( 1.350 -5.102 0.972) 5.366 30.907 ( 3.347 -11.909 3.620) 12.889 ======================= Grid point 17 (12/108) ======================= q-point: ( 0.43 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.625 ( 21.593 -4.078 -1.373) 22.018 2.986 ( 23.718 16.250 11.242) 30.871 3.256 ( 11.844 8.888 9.213) 17.440 3.469 ( -19.903 11.690 1.870) 23.157 3.619 ( -5.528 4.765 -11.857) 13.923 3.660 ( -2.331 5.049 -0.923) 5.637 3.852 ( 0.491 -5.195 -1.251) 5.367 4.006 ( -6.139 -1.157 -0.837) 6.303 4.053 ( -4.623 11.287 2.083) 12.373 4.180 ( 1.500 -0.995 -2.268) 2.895 4.527 ( -5.184 -1.349 -0.647) 5.395 4.628 ( 3.789 -7.196 0.765) 8.169 4.703 ( -0.502 -6.850 1.134) 6.961 4.866 ( -2.620 -6.375 0.741) 6.932 4.991 ( -1.223 5.189 0.731) 5.381 5.185 ( 5.910 0.993 1.308) 6.134 5.326 ( 14.985 1.584 -8.097) 17.106 5.425 ( 5.498 9.412 4.954) 11.973 5.557 ( 9.167 6.988 -6.074) 13.029 5.702 ( 4.860 0.976 2.118) 5.391 5.753 ( 1.732 -1.103 -3.643) 4.182 5.828 ( 1.896 -1.260 1.206) 2.576 5.876 ( -2.178 -2.033 1.383) 3.285 5.965 ( 2.693 6.725 -2.968) 7.828 6.206 ( 3.861 -9.679 2.071) 10.624 6.349 ( 3.883 12.722 1.714) 13.412 6.469 ( 5.478 1.350 -4.869) 7.453 6.582 ( 0.290 2.871 -7.475) 8.013 6.718 ( 3.158 5.973 2.164) 7.095 6.837 ( 2.635 3.521 1.842) 4.768 6.931 ( 5.430 2.152 1.046) 5.934 7.071 ( 4.594 1.325 -0.020) 4.781 7.195 ( -1.190 -1.590 1.092) 2.266 7.223 ( -5.449 -1.594 3.396) 6.615 7.315 ( -6.145 0.083 3.847) 7.250 7.384 ( -22.352 1.263 -6.699) 23.368 7.600 ( -6.143 7.448 4.860) 10.809 7.762 ( -9.698 5.279 -2.309) 11.280 8.042 ( 4.638 -0.068 2.217) 5.141 8.099 ( 2.823 -3.638 9.294) 10.372 8.281 ( -2.493 5.211 3.168) 6.588 8.347 ( -12.181 -1.061 -9.968) 15.775 8.474 ( -11.466 -5.062 -1.266) 12.597 9.089 ( 0.844 8.536 0.925) 8.627 9.419 ( 1.835 4.335 -3.434) 5.826 10.024 ( 0.915 18.569 -1.074) 18.622 10.116 ( -2.490 11.253 4.166) 12.255 10.231 ( 1.045 3.964 -1.467) 4.354 10.652 ( 1.567 -1.785 0.115) 2.378 11.335 ( 0.306 -2.296 1.180) 2.600 11.511 ( 1.506 -7.251 -0.564) 7.427 11.645 ( 0.225 -7.567 0.591) 7.594 12.578 ( -0.036 8.843 -1.227) 8.928 12.872 ( 2.687 -1.193 -0.007) 2.940 12.999 ( 0.175 -8.210 -0.648) 8.237 13.180 ( -0.122 0.949 -0.565) 1.111 13.505 ( 1.302 -4.897 -0.222) 5.072 13.697 ( 2.766 -10.896 3.302) 11.717 13.849 ( 0.158 1.247 -2.187) 2.523 14.111 ( 0.138 -11.212 0.712) 11.235 14.646 ( -1.220 -5.683 -1.034) 5.904 14.773 ( -0.373 -19.583 -0.279) 19.589 15.334 ( -1.903 -3.767 2.098) 4.713 15.531 ( -2.604 0.564 -1.122) 2.891 15.925 ( -0.872 -7.411 0.451) 7.476 16.259 ( -0.871 0.325 0.670) 1.146 16.659 ( -0.421 0.823 -0.807) 1.227 16.738 ( 0.303 -3.244 0.447) 3.288 16.925 ( -0.805 4.328 -2.106) 4.881 17.084 ( -1.416 -10.779 2.028) 11.059 20.387 ( 0.308 -0.200 0.289) 0.467 21.142 ( -0.058 10.910 -4.392) 11.761 21.149 ( -1.190 -0.955 3.249) 3.589 21.653 ( -3.064 13.616 0.997) 13.993 22.187 ( 0.367 -8.861 0.105) 8.869 23.089 ( 1.342 22.010 -0.215) 22.052 23.446 ( -0.068 -5.093 0.825) 5.160 23.675 ( 0.014 2.267 -0.954) 2.459 24.524 ( 0.294 13.475 1.093) 13.522 24.617 ( 0.899 -2.918 -2.242) 3.788 25.880 ( -1.003 -9.515 0.499) 9.581 26.000 ( 0.068 -6.057 -0.900) 6.124 26.520 ( -0.281 8.529 -0.238) 8.537 26.912 ( 0.106 2.151 0.670) 2.255 26.971 ( -0.289 1.257 -1.058) 1.668 27.449 ( -0.214 15.517 -0.279) 15.521 27.624 ( -1.971 1.685 -1.328) 2.913 27.879 ( -1.121 15.686 1.318) 15.781 27.918 ( 4.427 9.133 0.252) 10.153 28.018 ( -1.538 13.334 1.777) 13.539 28.096 ( -5.593 6.965 -0.460) 8.944 28.727 ( 1.192 -3.876 0.630) 4.104 29.069 ( 2.593 -7.923 -2.110) 8.600 30.471 ( 7.573 -30.809 0.297) 31.727 30.708 ( 0.526 -5.735 0.302) 5.767 30.903 ( -2.089 -6.894 1.487) 7.355 ======================= Grid point 21 (13/108) ======================= q-point: ( 0.00 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 0.000 31.020 0.000) 31.020 2.756 ( 0.000 37.297 0.000) 37.297 2.872 ( 0.000 0.596 0.000) 0.596 3.178 ( 0.000 1.559 0.000) 1.559 3.658 ( 0.000 2.389 0.000) 2.389 3.783 ( 0.000 1.993 0.000) 1.993 3.829 ( 0.000 -5.641 0.000) 5.641 3.870 ( 0.000 20.166 0.000) 20.166 4.224 ( 0.000 4.935 0.000) 4.935 4.293 ( 0.000 1.621 0.000) 1.621 4.387 ( 0.000 -8.171 0.000) 8.171 4.490 ( 0.000 0.224 0.000) 0.224 4.549 ( 0.000 -8.086 0.000) 8.086 4.619 ( 0.000 -2.562 0.000) 2.562 4.998 ( 0.000 6.406 0.000) 6.406 5.041 ( 0.000 -2.674 0.000) 2.674 5.146 ( 0.000 -0.238 0.000) 0.238 5.321 ( 0.000 10.650 0.000) 10.650 5.381 ( 0.000 9.060 0.000) 9.060 5.452 ( 0.000 2.192 0.000) 2.192 5.593 ( 0.000 -0.863 0.000) 0.863 5.841 ( 0.000 -8.203 0.000) 8.203 5.883 ( 0.000 -11.922 0.000) 11.922 5.928 ( 0.000 3.236 0.000) 3.236 5.942 ( 0.000 6.953 0.000) 6.953 5.995 ( 0.000 9.844 0.000) 9.844 6.283 ( 0.000 6.095 0.000) 6.095 6.664 ( 0.000 -0.118 0.000) 0.118 6.735 ( 0.000 5.007 0.000) 5.007 6.754 ( 0.000 -6.512 0.000) 6.512 7.005 ( 0.000 -6.472 0.000) 6.472 7.106 ( 0.000 -1.957 0.000) 1.957 7.131 ( 0.000 3.905 0.000) 3.905 7.204 ( 0.000 -0.546 0.000) 0.546 7.647 ( 0.000 4.098 0.000) 4.098 7.765 ( 0.000 -0.412 0.000) 0.412 8.297 ( 0.000 2.106 0.000) 2.106 8.387 ( 0.000 -1.114 0.000) 1.114 8.582 ( 0.000 -6.578 0.000) 6.578 8.626 ( 0.000 0.903 0.000) 0.903 8.746 ( 0.000 10.086 0.000) 10.086 8.912 ( 0.000 10.332 0.000) 10.332 8.951 ( 0.000 13.159 0.000) 13.159 9.048 ( 0.000 3.877 0.000) 3.877 9.791 ( 0.000 0.230 0.000) 0.230 9.811 ( 0.000 4.595 0.000) 4.595 10.125 ( 0.000 -3.681 0.000) 3.681 10.189 ( 0.000 14.911 0.000) 14.911 10.583 ( 0.000 6.718 0.000) 6.718 11.213 ( 0.000 -7.442 0.000) 7.442 11.329 ( 0.000 3.187 0.000) 3.187 11.583 ( 0.000 2.308 0.000) 2.308 12.542 ( 0.000 -3.290 0.000) 3.290 12.709 ( 0.000 -17.909 0.000) 17.909 12.862 ( 0.000 -16.911 0.000) 16.911 12.920 ( 0.000 9.156 0.000) 9.156 13.216 ( 0.000 -0.808 0.000) 0.808 13.603 ( 0.000 0.795 0.000) 0.795 13.826 ( 0.000 -7.252 0.000) 7.252 13.896 ( 0.000 -6.521 0.000) 6.521 14.277 ( 0.000 -24.449 0.000) 24.449 14.464 ( 0.000 -12.744 0.000) 12.744 15.401 ( 0.000 -3.609 0.000) 3.609 15.867 ( 0.000 -4.910 0.000) 4.910 15.930 ( 0.000 -10.081 0.000) 10.081 16.424 ( 0.000 -0.038 0.000) 0.038 16.714 ( 0.000 0.617 0.000) 0.617 16.734 ( 0.000 5.732 0.000) 5.732 16.913 ( 0.000 -13.478 0.000) 13.478 17.218 ( 0.000 2.280 0.000) 2.280 20.518 ( 0.000 17.545 0.000) 17.545 21.267 ( 0.000 2.996 0.000) 2.996 21.493 ( 0.000 17.610 0.000) 17.610 21.859 ( 0.000 -4.882 0.000) 4.882 22.080 ( 0.000 -12.540 0.000) 12.540 23.264 ( 0.000 -17.018 0.000) 17.018 23.352 ( 0.000 17.715 0.000) 17.715 23.908 ( 0.000 1.969 0.000) 1.969 24.496 ( 0.000 2.917 0.000) 2.917 24.627 ( 0.000 8.068 0.000) 8.068 25.817 ( 0.000 -4.998 0.000) 4.998 25.833 ( 0.000 -6.819 0.000) 6.819 26.696 ( 0.000 6.746 0.000) 6.746 26.958 ( 0.000 0.390 0.000) 0.390 27.071 ( 0.000 8.766 0.000) 8.766 27.787 ( 0.000 -0.606 0.000) 0.606 27.956 ( 0.000 11.065 0.000) 11.065 28.123 ( 0.000 4.842 0.000) 4.842 28.199 ( 0.000 4.747 0.000) 4.747 28.250 ( 0.000 6.188 0.000) 6.188 28.446 ( 0.000 8.573 0.000) 8.573 28.453 ( 0.000 -1.076 0.000) 1.076 28.777 ( 0.000 -2.156 0.000) 2.156 29.388 ( 0.000 -15.627 0.000) 15.627 30.599 ( 0.000 0.203 0.000) 0.203 30.605 ( 0.000 -3.030 0.000) 3.030 ======================= Grid point 22 (14/108) ======================= q-point: ( 0.14 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( 11.661 26.386 9.426) 30.349 2.699 ( -1.075 37.353 6.045) 37.855 2.928 ( 5.331 1.875 -1.126) 5.762 3.289 ( 11.582 2.658 8.405) 14.555 3.739 ( 3.533 -4.182 -4.417) 7.034 3.793 ( 0.656 1.942 -0.215) 2.060 3.842 ( 1.275 -5.143 -2.716) 5.954 4.040 ( 9.578 2.163 0.213) 9.822 4.160 ( -0.816 6.338 -1.652) 6.601 4.344 ( -0.330 0.090 1.799) 1.831 4.390 ( 3.735 0.721 -1.788) 4.204 4.554 ( 8.441 6.080 -3.704) 11.042 4.621 ( 4.347 -11.665 -1.379) 12.525 4.724 ( 10.277 4.432 0.478) 11.202 4.887 ( -7.970 2.221 6.272) 10.382 5.068 ( 1.546 0.137 0.049) 1.552 5.206 ( -8.141 7.281 -8.367) 13.759 5.242 ( 6.462 1.732 -7.491) 10.043 5.415 ( 0.084 6.268 4.992) 8.013 5.485 ( 4.951 2.224 -3.743) 6.593 5.647 ( 6.054 -0.394 -0.058) 6.067 5.813 ( -2.509 6.892 -5.561) 9.204 5.829 ( -2.700 -8.333 1.596) 8.903 5.880 ( 0.391 -4.845 -3.065) 5.746 6.005 ( 4.548 7.844 0.937) 9.116 6.177 ( 5.629 6.547 5.484) 10.228 6.283 ( 4.761 1.220 1.141) 5.046 6.539 ( -8.433 -2.018 -2.365) 8.988 6.706 ( -2.976 0.106 4.459) 5.362 6.787 ( 3.145 -3.395 -1.713) 4.935 6.991 ( -3.353 4.886 -1.444) 6.099 7.021 ( 3.055 0.760 5.636) 6.455 7.242 ( 4.111 -2.682 -1.794) 5.226 7.271 ( 3.531 1.478 -2.641) 4.651 7.568 ( -7.655 4.660 3.385) 9.580 7.740 ( -2.921 -2.122 1.031) 3.754 8.230 ( -8.563 1.094 -5.123) 10.038 8.265 ( -8.186 -0.896 1.331) 8.342 8.385 ( -14.995 -3.507 0.483) 15.407 8.521 ( -9.993 3.295 -1.749) 10.666 8.665 ( -5.593 6.875 6.990) 11.288 8.836 ( -10.552 11.096 0.150) 15.313 8.929 ( -3.099 5.117 0.502) 6.003 9.126 ( 5.610 7.604 -3.341) 10.023 9.631 ( -7.058 3.307 -8.090) 11.234 9.998 ( 9.505 3.291 8.984) 13.487 10.180 ( 4.480 -2.464 1.134) 5.237 10.274 ( 6.937 13.279 -0.975) 15.014 10.577 ( -0.068 5.929 -1.360) 6.083 11.232 ( 1.579 -6.564 0.972) 6.821 11.359 ( 2.721 3.391 -0.339) 4.360 11.577 ( -0.557 2.039 0.300) 2.134 12.561 ( 2.055 -4.289 3.807) 6.092 12.719 ( 0.996 -15.633 -6.770) 17.065 12.843 ( -0.574 -4.296 7.733) 8.865 12.976 ( 4.030 -3.616 -7.377) 9.150 13.223 ( 0.657 -1.600 -0.614) 1.835 13.606 ( 0.267 0.212 3.610) 3.626 13.826 ( 0.497 -4.892 1.043) 5.027 13.910 ( 1.045 -7.225 -1.626) 7.479 14.288 ( 1.026 -23.838 -1.992) 23.943 14.475 ( 0.884 -12.549 1.849) 12.716 15.400 ( -0.177 -3.522 -1.059) 3.682 15.748 ( -11.956 -5.822 1.552) 13.388 15.889 ( -1.852 -6.477 -0.487) 6.754 16.401 ( -2.178 0.457 2.400) 3.273 16.700 ( -1.206 0.483 2.921) 3.197 16.736 ( -0.142 3.727 -4.167) 5.592 16.890 ( -1.978 -12.320 -1.505) 12.568 17.173 ( -4.105 2.013 1.056) 4.693 20.536 ( 1.346 16.802 0.160) 16.857 21.237 ( -2.815 2.606 1.036) 3.973 21.482 ( -0.834 17.047 -3.572) 17.437 21.844 ( -1.344 -5.438 0.952) 5.682 22.073 ( -0.831 -9.180 2.718) 9.610 23.248 ( -1.091 -15.305 -4.946) 16.122 23.382 ( 2.424 15.898 7.173) 17.609 23.854 ( -4.166 3.735 -4.296) 7.054 24.511 ( 1.587 2.279 2.049) 3.450 24.666 ( 2.959 7.332 -3.586) 8.682 25.802 ( -1.542 -5.581 -0.138) 5.792 25.840 ( 0.838 -6.190 -0.200) 6.249 26.696 ( -0.029 6.877 0.023) 6.877 26.953 ( -0.381 0.516 0.476) 0.799 27.066 ( -0.544 7.965 -1.443) 8.113 27.749 ( -4.201 0.194 -2.351) 4.818 27.849 ( -5.352 8.958 -1.757) 10.582 28.104 ( -1.893 9.804 2.334) 10.254 28.184 ( 0.173 4.095 0.223) 4.105 28.320 ( -1.739 10.485 3.857) 11.307 28.396 ( -0.713 5.472 -0.539) 5.544 28.541 ( 7.340 -1.905 3.622) 8.403 28.766 ( -0.037 -2.516 -4.873) 5.484 29.513 ( 10.250 -18.530 0.565) 21.184 30.593 ( 0.167 -2.409 0.740) 2.526 30.667 ( 4.477 -3.230 1.045) 5.619 ======================= Grid point 23 (15/108) ======================= q-point: ( 0.29 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.513 ( 5.191 17.890 8.542) 20.493 2.914 ( 20.946 27.329 8.564) 35.481 3.092 ( 10.639 3.268 2.921) 11.507 3.550 ( 11.233 6.182 7.437) 14.822 3.754 ( -3.687 -5.930 -11.544) 13.491 3.820 ( 2.185 0.602 -0.021) 2.266 3.894 ( 3.404 -2.887 -0.400) 4.481 4.058 ( 0.091 2.350 -2.906) 3.739 4.179 ( -3.160 0.584 3.547) 4.786 4.262 ( -1.943 1.015 3.932) 4.502 4.535 ( 2.031 -8.324 -2.622) 8.960 4.614 ( -8.442 -3.143 2.716) 9.409 4.703 ( -0.717 6.383 0.478) 6.441 4.819 ( 8.920 -1.912 -4.475) 10.161 4.979 ( -5.882 -5.686 -0.467) 8.194 5.039 ( 13.206 14.868 -3.286) 20.156 5.152 ( 3.221 1.589 -2.626) 4.449 5.390 ( 7.189 2.523 -12.502) 14.641 5.422 ( 6.062 5.632 9.437) 12.551 5.611 ( 4.413 1.142 -5.666) 7.272 5.741 ( 1.769 -0.013 4.883) 5.194 5.793 ( -0.082 -2.824 -3.584) 4.564 5.873 ( 2.138 -0.428 -6.286) 6.654 5.962 ( 13.042 -3.424 -1.098) 13.528 6.049 ( -0.471 8.005 3.579) 8.781 6.182 ( 0.437 2.455 -1.990) 3.190 6.421 ( 1.187 0.909 0.643) 1.627 6.506 ( 9.274 0.227 -2.909) 9.722 6.688 ( 2.233 -4.122 3.117) 5.629 6.895 ( 7.517 3.216 -2.678) 8.604 6.979 ( 4.315 8.746 -3.250) 10.279 7.156 ( 7.113 6.353 9.828) 13.695 7.236 ( -6.752 -0.919 0.760) 6.856 7.257 ( -6.581 -0.076 -1.222) 6.694 7.390 ( -5.685 3.410 0.595) 6.656 7.700 ( 1.450 -4.455 7.164) 8.560 7.951 ( -16.960 3.219 1.452) 17.324 8.043 ( -16.506 -2.642 -6.568) 17.960 8.133 ( -7.343 2.633 1.844) 8.016 8.275 ( -14.077 5.137 2.471) 15.188 8.519 ( -8.319 4.870 4.003) 10.438 8.583 ( -11.963 5.794 -0.753) 13.313 8.732 ( -14.822 1.316 -4.599) 15.574 9.234 ( 3.400 9.158 0.215) 9.771 9.541 ( -0.765 8.283 -8.424) 11.839 10.151 ( 5.186 3.330 7.614) 9.795 10.251 ( 1.798 0.570 1.524) 2.425 10.406 ( 4.865 12.035 -1.873) 13.116 10.603 ( 2.620 4.053 -0.350) 4.839 11.262 ( 1.035 -4.911 2.252) 5.501 11.423 ( 3.019 3.611 -1.826) 5.048 11.561 ( -0.944 0.705 1.086) 1.602 12.636 ( 5.314 -3.670 5.928) 8.766 12.752 ( 2.252 -8.085 -9.931) 13.002 12.842 ( 0.087 -3.341 5.101) 6.099 13.062 ( 4.276 -8.756 -5.574) 11.226 13.235 ( 0.242 -3.630 0.561) 3.681 13.619 ( 1.127 -0.956 3.719) 4.001 13.850 ( 1.556 -2.869 -0.082) 3.265 13.926 ( 0.383 -7.317 -1.084) 7.407 14.313 ( 1.351 -22.287 -2.927) 22.519 14.489 ( 0.213 -11.814 3.259) 12.257 15.371 ( -4.314 -1.884 -0.378) 4.723 15.502 ( -8.526 -6.023 0.661) 10.460 15.851 ( -1.952 -4.825 -0.639) 5.244 16.349 ( -2.447 1.615 3.297) 4.412 16.673 ( -1.226 -1.630 2.451) 3.188 16.721 ( -1.372 -0.252 -4.605) 4.812 16.851 ( -1.528 -9.172 -1.201) 9.376 17.074 ( -4.915 1.781 1.402) 5.412 20.555 ( 0.321 15.611 0.092) 15.615 21.167 ( -3.549 1.871 1.117) 4.164 21.469 ( -0.370 16.075 -4.566) 16.715 21.813 ( -1.458 -3.626 3.197) 5.050 22.046 ( -1.614 -5.701 1.334) 6.073 23.232 ( -0.334 -15.001 -2.560) 15.222 23.434 ( 2.342 15.380 5.104) 16.373 23.780 ( -2.601 4.477 -4.413) 6.803 24.555 ( 2.349 1.335 1.954) 3.334 24.720 ( 2.030 7.076 -3.992) 8.374 25.765 ( -1.798 -5.006 0.421) 5.336 25.858 ( 0.810 -6.396 -0.646) 6.479 26.695 ( -0.064 7.208 0.060) 7.209 26.945 ( -0.394 0.531 0.653) 0.929 27.051 ( -0.803 6.637 -1.961) 6.967 27.659 ( -3.368 1.763 -2.400) 4.496 27.777 ( -2.661 8.172 -1.027) 8.655 28.067 ( -1.559 7.923 3.607) 8.844 28.184 ( -0.227 3.604 1.784) 4.027 28.233 ( -4.126 11.718 2.599) 12.692 28.397 ( 0.024 13.865 -2.016) 14.011 28.659 ( 2.682 -0.983 2.106) 3.549 28.813 ( 4.651 -6.925 -3.415) 9.014 29.726 ( 9.564 -23.356 -0.001) 25.238 30.599 ( 0.334 -3.491 0.330) 3.523 30.749 ( 3.026 -5.628 1.755) 6.627 ======================= Grid point 24 (16/108) ======================= q-point: ( 0.43 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.610 ( 3.447 5.290 2.541) 6.806 3.315 ( 12.487 5.777 6.336) 15.147 3.396 ( 20.610 12.534 8.708) 25.646 3.605 ( -6.948 -1.430 -6.552) 9.657 3.718 ( 1.461 2.552 -0.818) 3.053 3.791 ( -7.693 12.737 -2.425) 15.076 3.931 ( 2.303 8.733 -3.715) 9.766 4.003 ( -6.180 2.680 1.690) 6.945 4.123 ( 2.408 -1.778 -0.113) 2.996 4.326 ( 2.376 11.271 -1.892) 11.673 4.413 ( -9.139 -7.649 4.082) 12.597 4.506 ( -1.784 -10.493 -1.922) 10.816 4.646 ( -0.715 8.330 2.378) 8.692 4.796 ( -3.625 -0.137 -2.144) 4.214 5.036 ( 3.168 -4.659 0.483) 5.654 5.211 ( 3.057 3.227 3.223) 5.490 5.267 ( 9.540 -5.902 -0.490) 11.229 5.445 ( -5.240 -4.889 -3.578) 8.010 5.614 ( 8.222 -0.194 -4.072) 9.177 5.653 ( 2.651 1.227 -2.918) 4.129 5.809 ( 0.475 -4.525 1.972) 4.959 5.816 ( 1.838 -1.684 3.452) 4.258 5.871 ( 1.406 -3.017 -3.439) 4.786 5.973 ( -5.450 0.110 -1.590) 5.678 6.191 ( 5.129 7.391 2.598) 9.364 6.303 ( 7.342 -11.018 -5.837) 14.470 6.505 ( 5.398 9.506 -0.493) 10.943 6.679 ( 5.446 -3.075 -3.581) 7.207 6.852 ( 16.890 6.302 3.736) 18.410 6.993 ( -2.581 5.244 -2.489) 6.352 7.038 ( -4.610 4.987 5.265) 8.593 7.137 ( 3.571 5.605 -0.089) 6.646 7.176 ( 6.108 5.063 0.430) 7.945 7.233 ( -1.839 3.719 -0.277) 4.158 7.345 ( -1.782 1.576 2.325) 3.326 7.496 ( -22.000 9.338 -2.447) 24.024 7.696 ( -6.749 1.538 2.819) 7.474 7.852 ( -3.224 2.517 -1.803) 4.470 8.010 ( -2.226 0.997 5.898) 6.382 8.070 ( -0.843 0.841 3.976) 4.150 8.348 ( -8.145 1.404 -3.564) 9.001 8.403 ( -9.034 -1.324 -2.417) 9.445 8.432 ( -7.229 7.539 -0.513) 10.458 9.241 ( -1.161 4.966 -0.329) 5.110 9.589 ( 3.014 12.530 -3.363) 13.319 10.218 ( 1.819 3.229 1.115) 3.870 10.262 ( -0.288 3.270 2.125) 3.910 10.458 ( 0.725 13.305 -0.504) 13.335 10.652 ( 1.517 3.082 0.173) 3.439 11.271 ( 0.057 -3.813 1.325) 4.037 11.466 ( 1.105 3.194 -1.749) 3.805 11.546 ( -0.405 -1.064 1.275) 1.709 12.744 ( 3.749 2.482 4.264) 6.196 12.799 ( 2.226 -4.902 -8.001) 9.644 12.836 ( -0.908 -5.355 3.676) 6.559 13.147 ( 3.990 -12.461 -4.170) 13.733 13.219 ( -2.055 -4.411 2.500) 5.471 13.643 ( 0.826 -2.370 1.371) 2.859 13.875 ( 0.648 -2.819 -0.461) 2.929 13.927 ( -0.108 -6.971 -0.265) 6.977 14.337 ( 0.797 -20.707 -1.728) 20.795 14.482 ( -0.589 -10.838 2.122) 11.060 15.246 ( -4.376 -1.652 0.705) 4.730 15.439 ( -0.590 -6.483 -0.713) 6.549 15.818 ( -0.968 -4.028 -0.189) 4.147 16.315 ( -0.853 2.307 1.567) 2.916 16.659 ( -0.046 -2.202 1.879) 2.895 16.687 ( -1.602 -5.804 -3.076) 6.762 16.832 ( -0.384 -6.109 -0.360) 6.132 17.000 ( -1.984 2.067 0.659) 2.940 20.553 ( -0.201 14.833 0.012) 14.834 21.111 ( -1.593 1.414 0.445) 2.175 21.466 ( 0.039 15.466 -2.136) 15.613 21.791 ( -0.609 0.104 2.079) 2.169 22.019 ( -0.839 -6.003 -0.019) 6.061 23.231 ( 0.077 -14.907 -0.576) 14.918 23.468 ( 0.925 15.035 1.605) 15.149 23.749 ( -0.664 3.977 -1.671) 4.365 24.593 ( 1.091 0.653 0.856) 1.532 24.746 ( 0.619 7.428 -1.767) 7.661 25.738 ( -0.729 -4.530 0.241) 4.594 25.869 ( 0.269 -6.413 -0.289) 6.425 26.694 ( -0.040 7.508 0.038) 7.508 26.939 ( -0.145 0.294 0.328) 0.463 27.038 ( -0.397 6.041 -0.931) 6.125 27.620 ( -0.752 -1.083 -0.996) 1.652 27.735 ( -1.289 11.086 -0.147) 11.161 28.045 ( -0.595 6.911 1.764) 7.157 28.172 ( -0.826 11.552 2.033) 11.759 28.186 ( -0.626 3.725 -0.637) 3.830 28.397 ( -0.025 18.739 -0.989) 18.765 28.681 ( 0.276 -0.410 0.613) 0.788 28.896 ( 2.422 -8.923 -1.013) 9.301 29.868 ( 3.800 -27.026 -0.126) 27.292 30.604 ( 0.154 -4.043 0.127) 4.048 30.784 ( 0.600 -5.553 0.769) 5.638 ======================= Grid point 28 (17/108) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.718 ( 0.000 18.035 0.000) 18.035 2.872 ( 0.000 -0.012 0.000) 0.012 3.211 ( 0.000 7.579 0.000) 7.579 3.386 ( 0.000 19.146 0.000) 19.146 3.639 ( 0.000 -2.817 0.000) 2.817 3.740 ( 0.000 -5.145 0.000) 5.145 3.805 ( 0.000 2.519 0.000) 2.519 3.953 ( 0.000 -3.620 0.000) 3.620 4.198 ( 0.000 -7.527 0.000) 7.527 4.253 ( 0.000 -7.842 0.000) 7.842 4.291 ( 0.000 -0.656 0.000) 0.656 4.383 ( 0.000 -6.639 0.000) 6.639 4.557 ( 0.000 7.310 0.000) 7.310 4.614 ( 0.000 6.402 0.000) 6.402 4.986 ( 0.000 0.297 0.000) 0.297 5.177 ( 0.000 -1.097 0.000) 1.097 5.321 ( 0.000 -0.563 0.000) 0.563 5.411 ( 0.000 -2.152 0.000) 2.152 5.492 ( 0.000 -0.212 0.000) 0.212 5.512 ( 0.000 8.817 0.000) 8.817 5.600 ( 0.000 6.617 0.000) 6.617 5.687 ( 0.000 -2.889 0.000) 2.889 5.922 ( 0.000 17.948 0.000) 17.948 5.978 ( 0.000 2.716 0.000) 2.716 6.161 ( 0.000 12.298 0.000) 12.298 6.176 ( 0.000 9.487 0.000) 9.487 6.444 ( 0.000 6.272 0.000) 6.272 6.499 ( 0.000 -11.329 0.000) 11.329 6.637 ( 0.000 -5.526 0.000) 5.526 6.696 ( 0.000 -7.016 0.000) 7.016 6.824 ( 0.000 -7.938 0.000) 7.938 7.043 ( 0.000 -5.634 0.000) 5.634 7.243 ( 0.000 2.508 0.000) 2.508 7.282 ( 0.000 5.170 0.000) 5.170 7.704 ( 0.000 1.526 0.000) 1.526 7.720 ( 0.000 -2.621 0.000) 2.621 8.318 ( 0.000 0.289 0.000) 0.289 8.357 ( 0.000 -1.514 0.000) 1.514 8.515 ( 0.000 0.605 0.000) 0.605 8.624 ( 0.000 -1.502 0.000) 1.502 8.963 ( 0.000 10.157 0.000) 10.157 9.111 ( 0.000 2.737 0.000) 2.737 9.127 ( 0.000 9.296 0.000) 9.296 9.173 ( 0.000 8.032 0.000) 8.032 9.764 ( 0.000 -2.122 0.000) 2.122 9.822 ( 0.000 -4.289 0.000) 4.289 10.129 ( 0.000 6.297 0.000) 6.297 10.389 ( 0.000 2.183 0.000) 2.183 10.753 ( 0.000 9.275 0.000) 9.275 11.078 ( 0.000 -5.711 0.000) 5.711 11.474 ( 0.000 11.175 0.000) 11.175 11.721 ( 0.000 12.141 0.000) 12.141 12.244 ( 0.000 -22.944 0.000) 22.944 12.423 ( 0.000 -9.380 0.000) 9.380 12.707 ( 0.000 -2.118 0.000) 2.118 12.942 ( 0.000 -8.176 0.000) 8.176 13.324 ( 0.000 9.840 0.000) 9.840 13.540 ( 0.000 -6.128 0.000) 6.128 13.618 ( 0.000 -7.715 0.000) 7.715 13.791 ( 0.000 -3.713 0.000) 3.713 13.945 ( 0.000 -8.365 0.000) 8.365 14.166 ( 0.000 -15.857 0.000) 15.857 15.400 ( 0.000 3.849 0.000) 3.849 15.729 ( 0.000 -9.991 0.000) 9.991 15.857 ( 0.000 4.157 0.000) 4.157 16.282 ( 0.000 -12.688 0.000) 12.688 16.718 ( 0.000 -0.258 0.000) 0.258 16.727 ( 0.000 -3.143 0.000) 3.143 16.921 ( 0.000 9.713 0.000) 9.713 17.208 ( 0.000 -3.133 0.000) 3.133 20.921 ( 0.000 21.072 0.000) 21.072 21.353 ( 0.000 4.540 0.000) 4.540 21.659 ( 0.000 -3.574 0.000) 3.574 21.787 ( 0.000 -15.776 0.000) 15.776 21.979 ( 0.000 19.273 0.000) 19.273 22.868 ( 0.000 -21.514 0.000) 21.514 23.637 ( 0.000 10.751 0.000) 10.751 23.889 ( 0.000 -2.986 0.000) 2.986 24.600 ( 0.000 5.968 0.000) 5.968 24.728 ( 0.000 1.690 0.000) 1.690 25.739 ( 0.000 -2.536 0.000) 2.536 25.741 ( 0.000 -2.642 0.000) 2.642 26.801 ( 0.000 4.068 0.000) 4.068 26.936 ( 0.000 -2.324 0.000) 2.324 27.303 ( 0.000 12.996 0.000) 12.996 27.723 ( 0.000 -5.902 0.000) 5.902 28.116 ( 0.000 4.634 0.000) 4.634 28.181 ( 0.000 0.612 0.000) 0.612 28.289 ( 0.000 4.622 0.000) 4.622 28.355 ( 0.000 2.908 0.000) 2.908 28.520 ( 0.000 8.249 0.000) 8.249 28.593 ( 0.000 5.449 0.000) 5.449 28.741 ( 0.000 -1.225 0.000) 1.225 29.079 ( 0.000 -14.962 0.000) 14.962 30.564 ( 0.000 -1.025 0.000) 1.025 30.585 ( 0.000 -1.224 0.000) 1.224 ======================= Grid point 29 (18/108) ======================= q-point: ( 0.14 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.793 ( 7.165 17.171 5.207) 19.320 2.992 ( 7.241 4.907 1.351) 8.851 3.290 ( 6.098 1.638 4.600) 7.812 3.325 ( 3.046 19.439 2.556) 19.842 3.646 ( -3.540 -10.063 -4.905) 11.741 3.738 ( -0.399 -0.612 0.268) 0.778 3.794 ( 1.721 -0.099 0.161) 1.731 4.054 ( 8.507 -0.282 3.748) 9.300 4.196 ( -0.277 -4.805 5.809) 7.544 4.263 ( -0.527 1.626 -1.527) 2.292 4.362 ( 7.917 -5.965 -3.252) 10.433 4.448 ( 5.301 -7.719 -3.016) 9.838 4.542 ( 0.556 4.971 -1.924) 5.359 4.784 ( 10.617 5.361 -0.903) 11.928 4.984 ( -0.811 1.463 -4.093) 4.421 5.134 ( -1.371 -1.431 1.618) 2.559 5.339 ( -1.931 -1.455 1.535) 2.864 5.356 ( -2.748 -3.800 -2.951) 5.542 5.490 ( 2.783 4.308 -2.667) 5.781 5.517 ( -1.097 4.353 -0.971) 4.593 5.656 ( 1.337 3.032 1.434) 3.611 5.709 ( 4.889 1.894 2.631) 5.866 5.839 ( -1.579 3.768 0.676) 4.141 5.944 ( -4.730 5.328 -4.101) 8.221 6.281 ( 6.736 16.467 -2.382) 17.950 6.327 ( 6.549 8.868 5.377) 12.265 6.362 ( -3.185 2.859 -4.049) 5.892 6.399 ( -3.189 -7.225 -4.740) 9.211 6.635 ( -1.971 -3.383 3.561) 5.292 6.719 ( 6.456 -4.101 -3.382) 8.363 6.919 ( 7.720 -6.701 6.797) 12.276 7.087 ( 1.801 -0.108 -2.839) 3.364 7.246 ( -2.354 2.457 -0.653) 3.465 7.340 ( 7.980 1.236 2.758) 8.533 7.610 ( -7.319 -1.216 -1.085) 7.498 7.676 ( -5.805 -1.464 3.516) 6.943 8.220 ( -9.721 -1.191 -3.396) 10.366 8.239 ( -10.078 -1.590 -0.705) 10.227 8.386 ( -9.855 3.358 -1.487) 10.517 8.541 ( -7.890 -1.335 -1.601) 8.161 8.842 ( -8.826 10.063 7.415) 15.302 9.002 ( -10.371 3.985 -0.904) 11.147 9.055 ( -8.519 7.425 0.789) 11.328 9.272 ( 5.683 3.388 -1.791) 6.855 9.695 ( -0.311 4.586 -5.244) 6.973 9.997 ( 10.441 -4.562 1.738) 11.526 10.181 ( 4.183 5.336 5.036) 8.446 10.435 ( 3.986 0.775 -0.212) 4.066 10.741 ( -0.615 9.570 -1.035) 9.645 11.103 ( 2.147 -6.275 0.119) 6.633 11.510 ( 3.125 11.091 1.703) 11.648 11.716 ( -0.691 12.053 -1.136) 12.126 12.296 ( 5.375 -20.290 -0.473) 20.996 12.449 ( 2.636 -8.443 2.531) 9.200 12.720 ( 1.085 -3.246 0.165) 3.426 12.938 ( -0.355 -8.928 -2.524) 9.285 13.317 ( -0.634 8.793 -3.528) 9.495 13.534 ( -0.356 -5.954 2.000) 6.291 13.646 ( 2.274 -7.219 -1.749) 7.768 13.805 ( 1.188 -3.514 2.029) 4.229 13.964 ( 1.788 -8.178 -1.978) 8.601 14.185 ( 1.611 -15.341 4.113) 15.964 15.394 ( -0.624 3.331 -0.895) 3.506 15.671 ( -6.860 -5.824 -0.087) 8.999 15.807 ( -2.862 2.462 -0.163) 3.779 16.259 ( -2.059 -13.411 0.899) 13.598 16.691 ( -2.741 -1.040 2.949) 4.158 16.714 ( -1.189 -1.693 -2.773) 3.459 16.905 ( -1.263 8.519 -0.527) 8.628 17.166 ( -3.845 -2.798 0.300) 4.765 20.925 ( 0.178 20.330 -0.557) 20.338 21.319 ( -3.183 4.477 0.422) 5.510 21.650 ( -0.801 -3.517 0.593) 3.656 21.747 ( -2.765 -10.137 -4.809) 11.555 22.024 ( 3.094 14.419 4.853) 15.525 22.867 ( -0.009 -20.934 0.516) 20.941 23.651 ( 1.213 10.111 0.967) 10.229 23.869 ( -1.793 -1.671 -2.470) 3.480 24.602 ( 0.458 5.658 0.781) 5.730 24.749 ( 1.715 0.735 -2.465) 3.092 25.728 ( -0.875 -1.959 -0.108) 2.149 25.746 ( 0.424 -3.048 0.349) 3.097 26.802 ( 0.101 4.071 0.229) 4.079 26.934 ( -0.200 -2.207 0.197) 2.225 27.282 ( -1.862 12.334 -0.882) 12.505 27.689 ( -3.240 -5.900 -1.104) 6.821 28.015 ( -5.017 7.197 -2.112) 9.024 28.211 ( -0.573 -1.012 -0.435) 1.242 28.253 ( -2.215 5.659 2.982) 6.769 28.411 ( 3.657 -1.096 3.069) 4.898 28.557 ( -0.058 7.025 1.599) 7.205 28.592 ( 3.701 7.890 1.183) 8.795 28.740 ( 0.349 0.359 -2.424) 2.475 29.171 ( 7.395 -15.554 -1.871) 17.324 30.560 ( -0.153 -0.664 0.129) 0.694 30.610 ( 2.002 -2.523 0.671) 3.290 ======================= Grid point 30 (19/108) ======================= q-point: ( 0.29 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.868 ( -0.919 17.815 4.498) 18.397 3.182 ( 12.829 7.294 2.564) 14.978 3.408 ( 7.540 16.342 8.171) 19.766 3.538 ( 2.934 -9.506 -3.477) 10.538 3.616 ( 10.409 -8.061 1.619) 13.265 3.753 ( 1.721 0.563 -2.647) 3.207 3.848 ( 3.251 -1.165 1.288) 3.686 4.160 ( 0.127 -6.197 8.891) 10.839 4.200 ( 0.849 4.302 0.521) 4.416 4.319 ( 6.762 6.188 -3.309) 9.745 4.434 ( -2.782 1.914 -2.069) 3.960 4.548 ( 2.489 2.253 -3.723) 5.013 4.635 ( 8.534 -10.864 0.235) 13.817 4.850 ( -2.213 6.904 0.729) 7.287 4.976 ( -0.368 3.506 -0.169) 3.529 5.154 ( -0.182 -0.503 -3.858) 3.895 5.253 ( -4.353 -0.694 -0.598) 4.449 5.380 ( 5.992 -2.805 -6.790) 9.480 5.491 ( 0.620 -2.782 2.059) 3.516 5.586 ( 4.259 -2.207 -0.522) 4.825 5.635 ( -1.677 -1.810 -1.236) 2.759 5.806 ( -4.072 1.298 -2.452) 4.927 5.840 ( 1.990 -3.429 2.950) 4.941 5.927 ( 6.906 1.862 1.076) 7.233 6.146 ( -8.471 -1.233 -7.703) 11.515 6.357 ( 7.149 9.057 -7.117) 13.557 6.415 ( 0.602 -0.208 7.849) 7.875 6.596 ( 9.090 8.328 -1.867) 12.469 6.729 ( 11.500 10.830 2.388) 15.977 6.898 ( 11.202 -0.624 -2.338) 11.461 7.077 ( 6.516 -2.393 6.404) 9.444 7.126 ( 2.503 -1.879 -2.332) 3.903 7.173 ( -5.243 -2.642 -1.787) 6.137 7.403 ( -5.488 7.548 3.319) 9.906 7.481 ( -5.455 2.481 0.155) 5.995 7.604 ( 5.628 -5.480 6.936) 10.479 7.963 ( -13.405 -1.597 -4.248) 14.152 7.996 ( -13.212 -1.287 -3.552) 13.741 8.208 ( -6.862 4.734 0.914) 8.387 8.352 ( -9.785 0.844 -1.153) 9.888 8.599 ( -15.334 6.080 3.592) 16.882 8.728 ( -15.480 3.272 -3.045) 16.112 8.827 ( -12.203 10.074 2.107) 15.964 9.301 ( -2.503 -4.440 0.084) 5.098 9.775 ( 6.679 14.163 -6.479) 16.946 10.168 ( 5.705 -2.585 5.316) 8.216 10.265 ( 3.431 3.663 4.401) 6.675 10.522 ( 4.009 -1.400 -1.333) 4.451 10.749 ( 1.479 9.660 -0.824) 9.807 11.151 ( 2.211 -6.686 -0.029) 7.042 11.576 ( 2.817 10.321 3.074) 11.132 11.685 ( -2.299 11.263 -2.182) 11.700 12.462 ( 10.105 -14.934 -2.096) 18.153 12.532 ( 5.655 -6.149 3.496) 9.056 12.740 ( 0.644 -4.587 1.650) 4.917 12.929 ( -0.792 -10.143 -4.150) 10.987 13.304 ( -0.517 6.583 -3.788) 7.613 13.530 ( -0.091 -6.638 1.584) 6.825 13.693 ( 2.101 -5.899 -1.710) 6.491 13.828 ( 0.826 -2.975 2.572) 4.018 14.009 ( 2.445 -8.063 -2.759) 8.866 14.217 ( 1.195 -14.397 5.690) 15.527 15.373 ( -1.557 2.138 -0.911) 2.798 15.477 ( -10.072 1.875 -0.300) 10.250 15.773 ( -0.923 -0.918 -0.736) 1.495 16.212 ( -2.176 -14.727 1.267) 14.940 16.617 ( -4.037 -0.197 2.182) 4.593 16.679 ( -2.143 -1.669 -1.895) 3.312 16.882 ( -0.882 6.208 -0.555) 6.295 17.076 ( -4.331 -1.847 0.358) 4.722 20.920 ( -0.769 18.906 -0.762) 18.937 21.242 ( -3.881 4.400 0.389) 5.880 21.631 ( -0.887 -2.866 0.348) 3.020 21.706 ( -1.027 -7.663 -3.843) 8.634 22.072 ( 1.460 13.344 4.400) 14.126 22.871 ( 0.435 -19.904 0.850) 19.927 23.678 ( 1.256 8.775 1.023) 8.923 23.830 ( -1.734 0.367 -2.969) 3.457 24.620 ( 1.149 4.676 0.732) 4.870 24.784 ( 1.588 -0.540 -2.805) 3.268 25.707 ( -1.050 -1.069 0.262) 1.522 25.755 ( 0.438 -3.608 0.080) 3.636 26.804 ( 0.090 4.050 0.303) 4.063 26.928 ( -0.318 -1.966 0.234) 2.005 27.239 ( -2.088 10.905 -1.201) 11.167 27.608 ( -4.097 -5.660 -1.125) 7.077 27.950 ( -1.679 8.033 -1.031) 8.271 28.183 ( -1.424 -2.586 -0.233) 2.962 28.223 ( -0.694 7.877 3.025) 8.467 28.415 ( -2.053 4.649 1.436) 5.281 28.612 ( 4.595 -2.234 3.709) 6.313 28.668 ( 2.802 6.702 0.167) 7.266 28.755 ( 0.957 5.502 -2.763) 6.231 29.318 ( 6.240 -17.415 -2.131) 18.622 30.559 ( 0.044 -0.378 0.129) 0.401 30.652 ( 1.829 -4.218 0.932) 4.691 ======================= Grid point 31 (20/108) ======================= q-point: ( 0.43 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.844 ( -0.653 16.490 1.400) 16.562 3.306 ( 0.079 -2.375 0.030) 2.377 3.573 ( 6.294 0.049 5.135) 8.123 3.660 ( 7.468 6.159 0.426) 9.689 3.762 ( 1.438 3.448 2.247) 4.360 3.842 ( 6.216 -4.472 -3.234) 8.312 3.945 ( 7.796 -5.820 -1.757) 9.886 4.125 ( -2.295 2.139 3.200) 4.481 4.182 ( -3.566 0.817 2.533) 4.450 4.304 ( -7.902 3.398 -3.009) 9.113 4.410 ( -3.439 4.468 -0.161) 5.640 4.590 ( 7.783 13.876 -2.045) 16.041 4.740 ( 0.107 -10.287 1.286) 10.368 4.862 ( 1.549 10.602 -0.377) 10.721 4.965 ( 0.757 -1.846 3.023) 3.622 5.107 ( -0.772 3.741 -3.473) 5.162 5.230 ( -0.679 -3.633 -1.681) 4.060 5.483 ( 1.514 -1.130 -0.561) 1.971 5.536 ( 2.203 -2.760 0.417) 3.556 5.593 ( 0.751 -10.362 -3.297) 10.899 5.631 ( -0.271 -10.789 4.345) 11.635 5.735 ( -3.298 1.533 -3.249) 4.877 5.827 ( -0.098 -2.392 2.016) 3.130 5.949 ( -4.037 -8.320 -5.303) 10.660 6.176 ( 7.515 4.611 -0.664) 8.842 6.395 ( -0.917 6.767 1.917) 7.093 6.573 ( 8.073 0.523 -3.373) 8.765 6.709 ( 2.460 6.374 -0.987) 6.903 6.937 ( 0.607 -1.723 1.882) 2.623 6.997 ( 6.206 3.070 -0.341) 6.932 7.072 ( -4.525 -2.819 0.317) 5.340 7.174 ( 1.177 -2.605 4.986) 5.748 7.293 ( 13.519 4.285 -0.743) 14.201 7.376 ( 2.607 5.466 -0.031) 6.056 7.411 ( -0.438 6.319 3.574) 7.273 7.612 ( -7.888 -1.658 -1.366) 8.176 7.747 ( -7.843 6.352 -3.313) 10.623 7.879 ( 3.471 1.843 -0.907) 4.033 8.091 ( -4.867 5.308 1.451) 7.346 8.160 ( -6.904 5.941 2.737) 9.511 8.327 ( -6.831 -1.912 -0.410) 7.106 8.413 ( -13.473 -0.036 -3.564) 13.936 8.637 ( -5.202 13.800 1.893) 14.869 9.230 ( -2.844 -7.072 -0.374) 7.631 9.891 ( 3.440 15.699 -2.597) 16.280 10.238 ( 1.620 -1.414 2.517) 3.310 10.308 ( 0.966 3.742 1.953) 4.330 10.580 ( 1.503 -1.906 -1.022) 2.634 10.783 ( 1.233 9.256 0.094) 9.338 11.183 ( 0.828 -6.191 -0.015) 6.246 11.613 ( 0.890 9.830 3.747) 10.558 11.641 ( -1.474 10.393 -3.318) 11.009 12.607 ( 3.514 -9.316 -1.879) 10.132 12.691 ( 6.073 -4.946 1.336) 7.945 12.760 ( 3.572 -7.015 3.421) 8.584 12.883 ( -4.389 -10.165 -3.610) 11.646 13.298 ( -0.091 4.821 -1.587) 5.076 13.528 ( -0.065 -8.079 0.547) 8.098 13.724 ( 0.785 -4.631 -0.791) 4.763 13.835 ( -0.018 -2.358 1.334) 2.710 14.051 ( 1.331 -8.425 -1.651) 8.687 14.227 ( -0.089 -13.775 3.013) 14.101 15.305 ( -3.922 5.755 0.354) 6.973 15.361 ( -1.281 -0.720 -1.027) 1.793 15.760 ( -0.337 -0.556 -0.363) 0.745 16.182 ( -0.742 -15.441 0.598) 15.471 16.552 ( -1.837 0.075 0.983) 2.085 16.638 ( -1.393 -2.055 -0.838) 2.621 16.871 ( -0.256 4.904 -0.223) 4.915 17.012 ( -1.653 -0.951 0.160) 1.914 20.902 ( -0.626 17.955 -0.348) 17.969 21.181 ( -1.699 4.389 0.133) 4.708 21.618 ( -0.369 -2.192 -0.061) 2.223 21.699 ( 0.024 -8.080 -1.275) 8.180 22.086 ( 0.171 14.818 1.746) 14.922 22.881 ( 0.340 -19.313 0.453) 19.321 23.696 ( 0.464 7.787 0.369) 7.809 23.805 ( -0.604 1.298 -1.252) 1.902 24.640 ( 0.597 3.894 0.278) 3.949 24.808 ( 0.624 -1.066 -1.193) 1.717 25.691 ( -0.456 -0.476 0.149) 0.675 25.762 ( 0.168 -4.009 0.016) 4.012 26.805 ( 0.024 4.002 0.142) 4.004 26.923 ( -0.171 -1.801 0.099) 1.812 27.208 ( -0.823 9.858 -0.554) 9.908 27.546 ( -1.696 -5.711 -0.415) 5.972 27.932 ( -0.331 8.330 -0.184) 8.339 28.164 ( -0.402 -3.140 -0.079) 3.167 28.217 ( -0.069 9.355 1.110) 9.421 28.381 ( -0.929 6.973 0.524) 7.054 28.677 ( 1.248 -1.250 1.545) 2.347 28.709 ( 1.387 -1.036 0.283) 1.754 28.771 ( 0.528 10.533 -1.399) 10.639 29.406 ( 2.205 -19.121 -0.946) 19.271 30.561 ( 0.074 -0.183 0.071) 0.210 30.677 ( 0.622 -4.915 0.423) 4.972 ======================= Grid point 35 (21/108) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.878 ( 0.000 -0.641 0.000) 0.641 2.878 ( 0.000 0.641 0.000) 0.641 3.441 ( 0.000 -14.231 0.000) 14.231 3.441 ( 0.000 14.231 0.000) 14.231 3.639 ( 0.000 -6.605 0.000) 6.605 3.639 ( 0.000 6.605 0.000) 6.605 3.883 ( 0.000 -4.163 0.000) 4.163 3.883 ( 0.000 4.163 0.000) 4.163 4.126 ( 0.000 -1.612 0.000) 1.612 4.126 ( 0.000 1.612 0.000) 1.612 4.301 ( 0.000 -1.854 0.000) 1.854 4.301 ( 0.000 1.854 0.000) 1.854 4.697 ( 0.000 -1.424 0.000) 1.424 4.697 ( 0.000 1.424 0.000) 1.424 5.092 ( 0.000 -10.147 0.000) 10.147 5.092 ( 0.000 10.147 0.000) 10.147 5.220 ( 0.000 -9.057 0.000) 9.057 5.220 ( 0.000 9.057 0.000) 9.057 5.612 ( 0.000 -1.973 0.000) 1.973 5.612 ( 0.000 1.973 0.000) 1.973 5.673 ( 0.000 -1.288 0.000) 1.288 5.673 ( 0.000 1.288 0.000) 1.288 6.088 ( 0.000 -6.911 0.000) 6.911 6.088 ( 0.000 6.911 0.000) 6.911 6.332 ( 0.000 -0.551 0.000) 0.551 6.332 ( 0.000 0.551 0.000) 0.551 6.467 ( 0.000 -4.349 0.000) 4.349 6.467 ( 0.000 4.349 0.000) 4.349 6.552 ( 0.000 -2.753 0.000) 2.753 6.552 ( 0.000 2.753 0.000) 2.753 6.830 ( 0.000 -11.009 0.000) 11.009 6.830 ( 0.000 11.009 0.000) 11.009 7.296 ( 0.000 -2.491 0.000) 2.491 7.296 ( 0.000 2.491 0.000) 2.491 7.708 ( 0.000 -0.737 0.000) 0.737 7.708 ( 0.000 0.737 0.000) 0.737 8.331 ( 0.000 -1.079 0.000) 1.079 8.331 ( 0.000 1.079 0.000) 1.079 8.569 ( 0.000 -3.534 0.000) 3.534 8.569 ( 0.000 3.534 0.000) 3.534 9.107 ( 0.000 -3.438 0.000) 3.438 9.107 ( 0.000 3.438 0.000) 3.438 9.250 ( 0.000 -1.089 0.000) 1.089 9.250 ( 0.000 1.089 0.000) 1.089 9.744 ( 0.000 -1.393 0.000) 1.393 9.744 ( 0.000 1.393 0.000) 1.393 10.300 ( 0.000 -8.530 0.000) 8.530 10.300 ( 0.000 8.530 0.000) 8.530 10.938 ( 0.000 -8.607 0.000) 8.607 10.938 ( 0.000 8.607 0.000) 8.607 11.765 ( 0.000 -16.186 0.000) 16.186 11.765 ( 0.000 16.186 0.000) 16.186 12.132 ( 0.000 -17.469 0.000) 17.469 12.132 ( 0.000 17.469 0.000) 17.469 12.752 ( 0.000 -6.828 0.000) 6.828 12.752 ( 0.000 6.828 0.000) 6.828 13.425 ( 0.000 -3.798 0.000) 3.798 13.425 ( 0.000 3.798 0.000) 3.798 13.704 ( 0.000 -8.026 0.000) 8.026 13.704 ( 0.000 8.026 0.000) 8.026 13.902 ( 0.000 -6.111 0.000) 6.111 13.902 ( 0.000 6.111 0.000) 6.111 15.535 ( 0.000 -8.808 0.000) 8.808 15.535 ( 0.000 8.808 0.000) 8.808 16.021 ( 0.000 -11.509 0.000) 11.509 16.021 ( 0.000 11.509 0.000) 11.509 16.709 ( 0.000 -0.287 0.000) 0.287 16.709 ( 0.000 0.287 0.000) 0.287 17.099 ( 0.000 -7.427 0.000) 7.427 17.099 ( 0.000 7.427 0.000) 7.427 21.309 ( 0.000 -14.458 0.000) 14.458 21.309 ( 0.000 14.458 0.000) 14.458 21.580 ( 0.000 -0.599 0.000) 0.599 21.580 ( 0.000 0.599 0.000) 0.599 22.418 ( 0.000 -22.724 0.000) 22.724 22.418 ( 0.000 22.724 0.000) 22.724 23.800 ( 0.000 -5.927 0.000) 5.927 23.800 ( 0.000 5.927 0.000) 5.927 24.703 ( 0.000 -3.713 0.000) 3.713 24.703 ( 0.000 3.713 0.000) 3.713 25.715 ( 0.000 -0.064 0.000) 0.064 25.715 ( 0.000 0.064 0.000) 0.064 26.875 ( 0.000 -3.456 0.000) 3.456 26.875 ( 0.000 3.456 0.000) 3.456 27.551 ( 0.000 -10.915 0.000) 10.915 27.551 ( 0.000 10.915 0.000) 10.915 28.169 ( 0.000 -1.402 0.000) 1.402 28.169 ( 0.000 1.402 0.000) 1.402 28.362 ( 0.000 -1.970 0.000) 1.970 28.362 ( 0.000 1.970 0.000) 1.970 28.657 ( 0.000 -0.069 0.000) 0.069 28.657 ( 0.000 0.069 0.000) 0.069 28.802 ( 0.000 -11.023 0.000) 11.023 28.802 ( 0.000 11.023 0.000) 11.023 30.562 ( 0.000 -0.757 0.000) 0.757 30.562 ( 0.000 0.757 0.000) 0.757 ======================= Grid point 37 (22/108) ======================= q-point: ( 0.14 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.013 ( 12.229 -5.614 4.963) 14.342 3.013 ( 12.229 5.614 4.963) 14.342 3.385 ( -5.051 -12.360 -3.389) 13.775 3.385 ( -5.051 12.360 -3.389) 13.775 3.632 ( 1.395 -9.273 1.446) 9.488 3.632 ( 1.395 9.273 1.446) 9.488 3.928 ( 2.338 -9.712 3.618) 10.624 3.928 ( 2.338 9.712 3.618) 10.624 4.211 ( 6.663 -5.673 1.553) 8.888 4.211 ( 6.663 5.673 1.553) 8.888 4.333 ( 4.064 -3.521 -5.014) 7.352 4.333 ( 4.064 3.521 -5.014) 7.352 4.776 ( 6.293 -9.824 -0.286) 11.670 4.776 ( 6.293 9.824 -0.286) 11.670 5.072 ( -2.619 -4.820 -5.528) 7.788 5.072 ( -2.619 4.820 -5.528) 7.788 5.198 ( -0.627 -2.778 6.083) 6.716 5.198 ( -0.627 2.778 6.083) 6.716 5.598 ( -1.279 -2.687 -2.546) 3.916 5.598 ( -1.279 2.687 -2.546) 3.916 5.702 ( 2.060 -2.351 3.466) 4.667 5.702 ( 2.060 2.351 3.466) 4.667 5.972 ( -6.919 -6.339 -1.272) 9.469 5.972 ( -6.919 6.339 -1.272) 9.469 6.295 ( -6.164 -5.126 -6.182) 10.123 6.295 ( -6.164 5.126 -6.182) 10.123 6.563 ( 6.149 -11.353 2.080) 13.078 6.563 ( 6.149 11.353 2.080) 13.078 6.599 ( 8.764 -6.714 0.497) 11.051 6.599 ( 8.764 6.714 0.497) 11.051 6.950 ( 9.185 -12.362 -0.070) 15.401 6.950 ( 9.185 12.362 -0.070) 15.401 7.286 ( -0.798 -2.118 1.775) 2.876 7.286 ( -0.798 2.118 1.775) 2.876 7.640 ( -5.971 -3.066 -0.057) 6.712 7.640 ( -5.971 3.066 -0.057) 6.712 8.213 ( -10.690 -0.680 -2.359) 10.968 8.213 ( -10.690 0.680 -2.359) 10.968 8.476 ( -7.787 -4.589 -0.776) 9.072 8.476 ( -7.787 4.589 -0.776) 9.072 9.006 ( -9.940 -4.171 0.883) 10.816 9.006 ( -9.940 4.171 0.883) 10.816 9.204 ( -4.352 -7.458 3.264) 9.231 9.204 ( -4.352 7.458 3.264) 9.231 9.851 ( 9.041 -9.041 -3.065) 13.149 9.851 ( 9.041 9.041 -3.065) 13.149 10.338 ( 3.132 -8.247 2.566) 9.187 10.338 ( 3.132 8.247 2.566) 9.187 10.942 ( 0.568 -9.693 -0.557) 9.726 10.942 ( 0.568 9.693 -0.557) 9.726 11.780 ( 0.953 -13.244 1.315) 13.344 11.780 ( 0.953 13.244 1.315) 13.344 12.194 ( 6.186 -14.681 -0.602) 15.942 12.194 ( 6.186 14.681 -0.602) 15.942 12.743 ( -0.780 -6.212 -0.690) 6.299 12.743 ( -0.780 6.212 -0.690) 6.299 13.419 ( -0.670 -4.325 -1.204) 4.539 13.419 ( -0.670 4.325 -1.204) 4.539 13.720 ( 1.525 -7.477 -2.311) 7.973 13.720 ( 1.525 7.477 -2.311) 7.973 13.928 ( 2.222 -6.421 4.170) 7.973 13.928 ( 2.222 6.421 4.170) 7.973 15.516 ( -2.056 -7.901 -0.812) 8.204 15.516 ( -2.056 7.901 -0.812) 8.204 15.978 ( -3.652 -12.599 0.359) 13.122 15.978 ( -3.652 12.599 0.359) 13.122 16.693 ( -1.682 -0.810 0.171) 1.874 16.693 ( -1.682 0.810 0.171) 1.874 17.067 ( -2.891 -6.806 0.032) 7.395 17.067 ( -2.891 6.806 0.032) 7.395 21.289 ( -1.937 -12.536 -1.100) 12.732 21.289 ( -1.937 12.536 -1.100) 12.732 21.573 ( -0.493 -0.595 0.288) 0.825 21.573 ( -0.493 0.595 0.288) 0.825 22.429 ( 0.977 -22.069 1.344) 22.131 22.429 ( 0.977 22.069 1.344) 22.131 23.800 ( -0.035 -5.140 -0.640) 5.180 23.800 ( -0.035 5.140 -0.640) 5.180 24.708 ( 0.499 -4.224 -0.909) 4.349 24.708 ( 0.499 4.224 -0.909) 4.349 25.714 ( -0.131 -0.371 0.129) 0.414 25.714 ( -0.131 0.371 0.129) 0.414 26.875 ( 0.005 -3.365 0.190) 3.371 26.875 ( 0.005 3.365 0.190) 3.371 27.520 ( -2.862 -10.570 -0.659) 10.971 27.520 ( -2.862 10.570 -0.659) 10.971 28.140 ( -2.525 -5.223 -2.303) 6.242 28.140 ( -2.525 5.223 -2.303) 6.242 28.356 ( 0.228 -4.079 4.217) 5.872 28.356 ( 0.228 4.079 4.217) 5.872 28.650 ( -0.423 -2.447 2.163) 3.293 28.650 ( -0.423 2.447 2.163) 3.293 28.884 ( 6.414 -12.676 -3.325) 14.590 28.884 ( 6.414 12.676 -3.325) 14.590 30.568 ( 0.563 -1.408 0.259) 1.538 30.568 ( 0.563 1.408 0.259) 1.538 ======================= Grid point 39 (23/108) ======================= q-point: ( 0.29 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.225 ( -0.536 -16.951 -0.577) 16.969 3.225 ( -0.536 16.951 -0.577) 16.969 3.372 ( 11.917 -10.980 4.212) 16.743 3.372 ( 11.917 10.980 4.212) 16.743 3.699 ( 4.682 -7.505 1.609) 8.990 3.699 ( 4.682 7.505 1.609) 8.990 3.956 ( 0.603 -10.776 2.844) 11.162 3.956 ( 0.603 10.776 2.844) 11.162 4.305 ( 2.799 -5.698 -0.902) 6.412 4.305 ( 2.799 5.698 -0.902) 6.412 4.476 ( 6.889 -2.502 -2.396) 7.711 4.476 ( 6.889 2.502 -2.396) 7.711 4.851 ( -0.730 -16.228 2.229) 16.397 4.851 ( -0.730 16.228 2.229) 16.397 5.034 ( 2.108 -4.534 -3.690) 6.214 5.034 ( 2.108 4.534 -3.690) 6.214 5.242 ( 4.472 -5.749 -0.734) 7.320 5.242 ( 4.472 5.749 -0.734) 7.320 5.522 ( -6.392 -6.502 0.871) 9.159 5.522 ( -6.392 6.502 0.871) 9.159 5.735 ( 0.517 -6.333 2.789) 6.939 5.735 ( 0.517 6.333 2.789) 6.939 5.864 ( -4.334 -5.819 -6.799) 9.944 5.864 ( -4.334 5.819 -6.799) 9.944 6.230 ( 1.761 -8.811 -0.727) 9.014 6.230 ( 1.761 8.811 -0.727) 9.014 6.649 ( 5.407 -8.955 -5.694) 11.910 6.649 ( 5.407 8.955 -5.694) 11.910 6.846 ( 10.695 -7.574 7.265) 14.984 6.846 ( 10.695 7.574 7.265) 14.984 7.088 ( 0.517 -4.756 1.246) 4.944 7.088 ( 0.517 4.756 1.246) 4.944 7.296 ( 4.135 -14.128 0.490) 14.728 7.296 ( 4.135 14.128 0.490) 14.729 7.535 ( -2.192 -3.933 0.590) 4.541 7.535 ( -2.192 3.933 0.590) 4.541 7.964 ( -11.698 -1.570 -4.644) 12.684 7.964 ( -11.698 1.570 -4.644) 12.684 8.307 ( -7.902 -4.393 0.997) 9.096 8.307 ( -7.902 4.393 0.997) 9.096 8.718 ( -17.516 -3.794 -1.292) 17.969 8.718 ( -17.516 3.794 -1.292) 17.969 9.090 ( -6.544 -14.104 3.058) 15.847 9.090 ( -6.544 14.104 3.058) 15.847 10.036 ( 7.852 -10.280 -1.220) 12.993 10.036 ( 7.852 10.280 -1.220) 12.993 10.404 ( 2.942 -8.323 2.542) 9.186 10.404 ( 2.942 8.323 2.542) 9.186 10.966 ( 1.720 -11.057 -0.829) 11.221 10.966 ( 1.720 11.057 -0.829) 11.221 11.786 ( -0.322 -6.745 1.203) 6.859 11.786 ( -0.322 6.745 1.203) 6.859 12.370 ( 10.268 -8.176 -0.311) 13.130 12.370 ( 10.268 8.176 -0.311) 13.130 12.727 ( -0.765 -4.892 -1.267) 5.111 12.727 ( -0.765 4.892 -1.267) 5.111 13.398 ( -1.241 -5.191 -1.501) 5.544 13.398 ( -1.241 5.191 -1.501) 5.544 13.760 ( 2.207 -6.075 -1.627) 6.665 13.760 ( 2.207 6.075 -1.627) 6.665 13.973 ( 1.708 -6.505 4.339) 8.003 13.973 ( 1.708 6.505 4.339) 8.003 15.449 ( -4.235 -4.366 -1.078) 6.177 15.449 ( -4.235 4.366 -1.078) 6.177 15.906 ( -2.789 -13.177 0.328) 13.473 15.906 ( -2.789 13.177 0.328) 13.473 16.643 ( -2.965 -1.875 0.313) 3.522 16.643 ( -2.965 1.875 0.313) 3.522 17.003 ( -2.847 -5.153 0.006) 5.887 17.003 ( -2.847 5.153 0.006) 5.887 21.237 ( -2.888 -9.193 -1.202) 9.711 21.237 ( -2.888 9.193 -1.202) 9.711 21.565 ( -0.220 -1.110 0.140) 1.140 21.565 ( -0.220 1.110 0.140) 1.140 22.453 ( 1.207 -21.101 1.776) 21.210 22.453 ( 1.207 21.101 1.776) 21.210 23.798 ( -0.150 -3.536 -0.881) 3.647 23.798 ( -0.150 3.536 -0.881) 3.647 24.722 ( 0.809 -4.821 -1.086) 5.007 24.722 ( 0.809 4.821 -1.086) 5.007 25.710 ( -0.223 -1.141 0.191) 1.178 25.710 ( -0.223 1.141 0.191) 1.178 26.875 ( -0.065 -3.147 0.236) 3.157 26.875 ( -0.065 3.147 0.236) 3.157 27.451 ( -3.409 -9.572 -0.759) 10.190 27.451 ( -3.409 9.572 -0.759) 10.190 28.092 ( -1.727 -6.013 -1.109) 6.353 28.092 ( -1.727 6.013 -1.109) 6.354 28.375 ( 1.197 -6.437 2.038) 6.857 28.375 ( 1.197 6.437 2.038) 6.857 28.646 ( 0.087 -3.622 3.142) 4.796 28.646 ( 0.087 3.622 3.142) 4.796 29.005 ( 4.814 -14.215 -3.276) 15.362 29.005 ( 4.814 14.215 -3.276) 15.362 30.582 ( 0.703 -2.509 0.369) 2.632 30.582 ( 0.703 2.509 0.369) 2.632 ======================= Grid point 41 (24/108) ======================= q-point: ( 0.43 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.173 ( -1.729 -12.919 -1.047) 13.076 3.173 ( -1.729 12.919 -1.047) 13.076 3.604 ( 6.052 -5.767 2.347) 8.683 3.604 ( 6.052 5.767 2.347) 8.683 3.822 ( 6.911 -1.944 2.071) 7.472 3.822 ( 6.911 1.944 2.071) 7.472 3.955 ( -0.816 -8.640 1.120) 8.751 3.955 ( -0.816 8.640 1.120) 8.751 4.325 ( -0.928 -7.203 -2.681) 7.742 4.325 ( -0.928 7.203 -2.681) 7.742 4.519 ( -0.977 -7.323 1.833) 7.612 4.519 ( -0.977 7.323 1.833) 7.612 4.837 ( 0.301 -7.900 0.531) 7.923 4.837 ( 0.301 7.900 0.531) 7.923 5.148 ( 7.135 -12.697 -5.110) 15.435 5.148 ( 7.135 12.697 -5.110) 15.435 5.311 ( 0.081 -9.414 0.432) 9.424 5.311 ( 0.081 9.414 0.432) 9.424 5.387 ( -4.844 -11.920 2.958) 13.202 5.387 ( -4.844 11.920 2.958) 13.202 5.725 ( -0.389 -8.682 -0.565) 8.709 5.725 ( -0.389 8.682 -0.565) 8.709 5.790 ( -2.485 -3.689 -2.964) 5.345 5.790 ( -2.485 3.689 -2.964) 5.345 6.326 ( 4.833 -7.839 0.311) 9.214 6.326 ( 4.833 7.839 0.311) 9.214 6.747 ( 1.651 -6.275 -2.621) 6.998 6.747 ( 1.651 6.275 -2.621) 6.998 6.970 ( 1.979 -7.528 2.315) 8.121 6.970 ( 1.979 7.528 2.315) 8.121 7.030 ( -1.060 -1.630 1.200) 2.285 7.030 ( -1.060 1.630 1.200) 2.285 7.413 ( 3.985 -3.740 3.939) 6.737 7.413 ( 3.985 3.740 3.939) 6.737 7.523 ( -1.725 -5.858 -1.052) 6.197 7.523 ( -1.725 5.858 -1.052) 6.197 7.867 ( 4.001 -4.029 -4.671) 7.353 7.867 ( 4.001 4.029 -4.671) 7.353 8.187 ( -3.312 -3.503 1.118) 4.949 8.187 ( -3.312 3.503 1.118) 4.949 8.359 ( -14.913 -4.470 -0.414) 15.574 8.359 ( -14.913 4.470 -0.414) 15.574 8.970 ( -3.991 -17.026 1.023) 17.517 8.970 ( -3.991 17.026 1.023) 17.517 10.144 ( 2.640 -8.443 -0.057) 8.847 10.144 ( 2.640 8.443 -0.057) 8.847 10.448 ( 1.255 -8.899 0.855) 9.028 10.448 ( 1.255 8.899 0.855) 9.028 10.998 ( 1.039 -11.176 -0.329) 11.229 10.998 ( 1.039 11.176 -0.329) 11.229 11.776 ( -0.449 -2.243 0.429) 2.328 11.776 ( -0.449 2.243 0.429) 2.328 12.554 ( 6.188 -6.822 0.096) 9.211 12.554 ( 6.188 6.822 0.096) 9.211 12.709 ( -0.992 -3.038 -0.894) 3.319 12.709 ( -0.992 3.038 -0.894) 3.319 13.376 ( -0.719 -5.594 -0.607) 5.672 13.376 ( -0.719 5.594 -0.607) 5.672 13.796 ( 1.031 -4.548 -0.389) 4.680 13.796 ( 1.031 4.548 -0.389) 4.680 13.991 ( 0.266 -5.613 1.722) 5.877 13.991 ( 0.266 5.613 1.722) 5.877 15.372 ( -2.463 -0.563 -0.499) 2.575 15.372 ( -2.463 0.563 -0.499) 2.575 15.873 ( -0.612 -12.280 0.090) 12.296 15.873 ( -0.612 12.280 0.090) 12.296 16.590 ( -1.672 -2.527 0.176) 3.035 16.590 ( -1.672 2.527 0.176) 3.035 16.964 ( -0.985 -3.765 -0.010) 3.892 16.964 ( -0.985 3.765 -0.010) 3.892 21.189 ( -1.381 -7.364 -0.482) 7.508 21.189 ( -1.381 7.364 -0.482) 7.508 21.563 ( -0.022 -1.411 -0.005) 1.411 21.563 ( -0.022 1.411 -0.005) 1.411 22.471 ( 0.528 -20.815 0.823) 20.838 22.471 ( 0.528 20.815 0.823) 20.838 23.795 ( -0.097 -2.450 -0.420) 2.487 23.795 ( -0.097 2.450 -0.420) 2.487 24.736 ( 0.423 -5.025 -0.468) 5.065 24.736 ( 0.423 5.025 -0.468) 5.065 25.706 ( -0.123 -1.740 0.096) 1.747 25.706 ( -0.123 1.740 0.096) 1.747 26.873 ( -0.061 -2.956 0.104) 2.959 26.873 ( -0.061 2.956 0.104) 2.959 27.400 ( -1.410 -8.657 -0.309) 8.776 27.400 ( -1.410 8.657 -0.309) 8.776 28.073 ( -0.381 -5.738 -0.282) 5.758 28.073 ( -0.381 5.738 -0.282) 5.758 28.392 ( 0.374 -6.286 0.369) 6.308 28.392 ( 0.374 6.286 0.369) 6.308 28.652 ( 0.311 -1.763 1.591) 2.395 28.652 ( 0.311 1.763 1.591) 2.395 29.069 ( 1.516 -15.185 -1.378) 15.322 29.069 ( 1.516 15.185 -1.378) 15.322 30.593 ( 0.311 -3.167 0.179) 3.188 30.593 ( 0.311 3.167 0.179) 3.188 ======================= Grid point 77 (25/108) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( -7.006 0.000 41.437) 42.025 0.911 ( -7.285 0.000 44.871) 45.458 1.480 ( 13.314 0.000 69.470) 70.735 2.954 ( 18.834 0.000 -6.682) 19.985 3.084 ( 5.870 0.000 -28.577) 29.174 3.347 ( -14.798 0.000 -4.575) 15.489 3.708 ( -1.786 0.000 2.224) 2.852 3.758 ( 0.053 0.000 -6.157) 6.157 4.032 ( 1.687 0.000 9.310) 9.461 4.190 ( 4.014 0.000 6.012) 7.229 4.378 ( 0.332 0.000 -4.750) 4.762 4.524 ( -1.343 0.000 -7.531) 7.650 4.862 ( 1.234 0.000 -3.701) 3.902 4.921 ( -4.882 0.000 1.985) 5.270 4.923 ( -1.680 0.000 -1.049) 1.980 5.151 ( 6.717 0.000 -4.784) 8.246 5.222 ( -6.148 0.000 1.902) 6.436 5.317 ( -2.058 0.000 -10.755) 10.950 5.391 ( -6.267 0.000 -1.192) 6.380 5.672 ( -1.906 0.000 -2.802) 3.389 5.709 ( 3.131 0.000 -0.334) 3.148 5.773 ( 3.407 0.000 -4.907) 5.973 5.868 ( 1.216 0.000 0.141) 1.224 5.970 ( -2.911 0.000 -2.594) 3.900 5.993 ( -10.519 0.000 11.972) 15.936 6.065 ( -4.536 0.000 2.510) 5.185 6.137 ( 1.231 0.000 1.864) 2.234 6.427 ( -1.616 0.000 0.326) 1.649 6.480 ( -0.245 0.000 8.496) 8.500 6.664 ( 3.038 0.000 4.034) 5.050 6.943 ( 0.969 0.000 -0.956) 1.361 7.043 ( 1.904 0.000 -8.759) 8.964 7.265 ( -2.901 0.000 -6.826) 7.417 7.271 ( 4.073 0.000 1.484) 4.335 7.589 ( 5.081 0.000 2.198) 5.536 7.667 ( 9.327 0.000 0.980) 9.378 8.230 ( -19.911 0.000 -2.050) 20.016 8.360 ( 2.162 0.000 -6.885) 7.217 8.413 ( -3.961 0.000 5.571) 6.836 8.463 ( 3.746 0.000 0.446) 3.772 8.471 ( 13.272 0.000 4.425) 13.990 8.621 ( 2.079 0.000 1.155) 2.379 8.822 ( -8.161 0.000 -5.035) 9.589 9.267 ( 9.465 0.000 10.928) 14.457 9.346 ( 3.299 0.000 7.096) 7.825 9.454 ( -6.509 0.000 -19.903) 20.940 9.729 ( -1.743 0.000 -1.021) 2.020 10.054 ( -1.502 0.000 0.293) 1.531 10.683 ( -0.521 0.000 8.526) 8.542 11.221 ( 2.078 0.000 -7.113) 7.411 11.553 ( -0.931 0.000 1.127) 1.462 11.802 ( 1.752 0.000 -8.350) 8.532 12.533 ( -2.313 0.000 3.398) 4.110 12.622 ( 1.844 0.000 1.013) 2.104 13.045 ( -1.057 0.000 -4.142) 4.275 13.211 ( -2.270 0.000 -2.425) 3.322 13.547 ( 2.273 0.000 15.995) 16.155 13.901 ( -1.244 0.000 -1.675) 2.086 14.373 ( 6.660 0.000 0.017) 6.660 14.477 ( 3.638 0.000 -7.155) 8.027 14.720 ( -21.127 0.000 5.336) 21.790 15.101 ( 1.461 0.000 -4.533) 4.762 15.437 ( -2.159 0.000 10.623) 10.840 15.625 ( 0.399 0.000 11.147) 11.154 16.117 ( 0.072 0.000 -8.254) 8.255 16.467 ( -0.129 0.000 8.187) 8.188 16.608 ( 1.363 0.000 -8.369) 8.479 16.780 ( -0.513 0.000 -3.451) 3.489 17.054 ( 1.113 0.000 0.214) 1.133 17.561 ( -1.810 0.000 -8.275) 8.471 20.536 ( -12.655 0.000 1.465) 12.740 21.164 ( 1.354 0.000 -15.545) 15.604 21.260 ( 1.752 0.000 2.558) 3.100 21.574 ( -13.397 0.000 -4.608) 14.167 21.979 ( -2.161 0.000 15.769) 15.916 22.796 ( 20.970 0.000 -10.109) 23.279 23.456 ( 6.325 0.000 10.481) 12.242 23.811 ( 6.691 0.000 16.639) 17.934 24.081 ( 0.199 0.000 -6.558) 6.561 24.750 ( -5.021 0.000 -5.516) 7.459 26.375 ( -0.317 0.000 4.203) 4.215 26.521 ( 2.243 0.000 -1.004) 2.458 26.652 ( -34.944 0.000 -2.315) 35.021 26.774 ( -0.623 0.000 -3.279) 3.338 26.949 ( -1.530 0.000 2.056) 2.563 27.010 ( 0.304 0.000 1.572) 1.601 27.224 ( -2.343 0.000 0.521) 2.400 27.467 ( 3.415 0.000 -7.722) 8.444 27.969 ( -8.018 0.000 4.376) 9.135 28.172 ( 3.393 0.000 5.772) 6.696 28.420 ( -3.139 0.000 -6.650) 7.354 28.556 ( 1.467 0.000 -3.762) 4.038 29.003 ( -5.522 0.000 11.405) 12.672 29.964 ( 23.271 0.000 -16.034) 28.260 30.522 ( 24.473 0.000 9.259) 26.166 30.775 ( 0.655 0.000 -0.616) 0.899 ======================= Grid point 78 (26/108) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 31.699 0.000 24.864) 40.287 1.172 ( 34.572 0.000 18.784) 39.346 2.322 ( 54.115 0.000 53.901) 76.379 3.081 ( -8.807 0.000 -18.969) 20.914 3.305 ( 15.261 0.000 -24.230) 28.636 3.341 ( 16.613 0.000 14.132) 21.811 3.702 ( 0.786 0.000 1.872) 2.030 3.915 ( 11.821 0.000 -6.071) 13.289 4.108 ( 5.437 0.000 8.675) 10.238 4.201 ( -3.883 0.000 8.741) 9.564 4.465 ( 9.646 0.000 -8.249) 12.692 4.593 ( 5.036 0.000 -10.164) 11.343 4.850 ( -4.980 0.000 1.506) 5.202 4.855 ( 1.618 0.000 0.868) 1.836 4.950 ( -3.554 0.000 -6.447) 7.361 5.124 ( -6.536 0.000 13.387) 14.897 5.151 ( -7.163 0.000 -5.037) 8.757 5.157 ( -6.342 0.000 10.321) 12.114 5.341 ( 3.513 0.000 -9.224) 9.870 5.593 ( -15.950 0.000 7.836) 17.771 5.672 ( -3.703 0.000 7.705) 8.549 5.746 ( -2.540 0.000 -0.880) 2.688 5.761 ( 0.007 0.000 0.160) 0.161 5.821 ( -0.656 0.000 -4.292) 4.342 5.916 ( -2.152 0.000 -0.217) 2.163 5.964 ( 1.041 0.000 1.187) 1.579 5.994 ( -2.277 0.000 4.546) 5.084 6.438 ( 3.097 0.000 5.244) 6.090 6.465 ( 5.409 0.000 -6.516) 8.468 6.783 ( 8.781 0.000 4.158) 9.715 6.966 ( 1.791 0.000 0.103) 1.794 7.037 ( -3.860 0.000 -3.732) 5.369 7.256 ( 3.013 0.000 -7.367) 7.959 7.264 ( -6.282 0.000 3.869) 7.378 7.564 ( -1.487 0.000 4.691) 4.921 7.696 ( 4.004 0.000 -1.085) 4.149 8.056 ( -7.628 0.000 1.406) 7.757 8.235 ( -11.450 0.000 -4.479) 12.295 8.374 ( -10.859 0.000 0.813) 10.889 8.457 ( -10.953 0.000 2.888) 11.327 8.556 ( -1.587 0.000 2.792) 3.212 8.685 ( 0.170 0.000 -5.364) 5.366 8.770 ( -6.476 0.000 -13.333) 14.823 9.308 ( -6.183 0.000 -12.067) 13.559 9.405 ( 1.431 0.000 7.115) 7.257 9.471 ( 7.869 0.000 -0.277) 7.874 9.721 ( 1.984 0.000 -1.538) 2.510 10.013 ( -2.942 0.000 -3.626) 4.669 10.712 ( 3.433 0.000 9.635) 10.228 11.294 ( 3.640 0.000 -4.349) 5.671 11.588 ( 4.528 0.000 -2.410) 5.129 11.821 ( 0.127 0.000 -7.348) 7.349 12.504 ( -0.142 0.000 1.187) 1.196 12.558 ( -6.412 0.000 3.592) 7.349 13.032 ( -0.200 0.000 -2.419) 2.427 13.176 ( 0.348 0.000 -0.968) 1.028 13.585 ( 1.214 0.000 15.939) 15.985 13.897 ( 0.550 0.000 -2.751) 2.805 14.319 ( -8.814 0.000 17.005) 19.154 14.523 ( 6.360 0.000 -8.555) 10.660 14.549 ( 2.978 0.000 -5.738) 6.465 15.110 ( -0.446 0.000 -3.818) 3.844 15.374 ( -3.735 0.000 10.955) 11.574 15.575 ( -4.828 0.000 10.916) 11.936 16.113 ( -0.458 0.000 -7.813) 7.826 16.453 ( -1.238 0.000 7.880) 7.976 16.570 ( -3.945 0.000 -9.696) 10.468 16.768 ( -0.246 0.000 -2.359) 2.372 17.063 ( -0.274 0.000 0.897) 0.938 17.332 ( -9.524 0.000 3.671) 10.207 20.456 ( 2.982 0.000 -0.450) 3.016 21.165 ( -0.912 0.000 -6.104) 6.172 21.279 ( -10.700 0.000 9.056) 14.018 21.303 ( 1.502 0.000 -4.510) 4.753 21.982 ( 2.565 0.000 13.284) 13.529 22.817 ( -6.784 0.000 -4.789) 8.304 23.460 ( -1.625 0.000 10.201) 10.329 23.912 ( 0.014 0.000 23.890) 23.890 24.078 ( -0.464 0.000 -6.932) 6.947 24.661 ( -2.924 0.000 -8.425) 8.918 26.104 ( -6.553 0.000 8.081) 10.404 26.375 ( -0.136 0.000 4.435) 4.438 26.502 ( -3.866 0.000 1.343) 4.093 26.763 ( -0.313 0.000 -3.984) 3.996 26.951 ( 0.515 0.000 1.898) 1.967 27.007 ( -0.321 0.000 1.706) 1.736 27.227 ( 2.476 0.000 -1.903) 3.123 27.502 ( -0.238 0.000 -3.811) 3.819 27.796 ( -4.227 0.000 9.304) 10.219 28.054 ( -10.675 0.000 3.377) 11.196 28.481 ( -7.311 0.000 -1.162) 7.403 28.519 ( 8.578 0.000 -5.884) 10.402 29.007 ( 5.530 0.000 8.181) 9.874 30.294 ( 12.940 0.000 -6.656) 14.551 30.809 ( 2.430 0.000 0.078) 2.432 31.385 ( 21.600 0.000 -37.175) 42.995 ======================= Grid point 79 (27/108) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( 38.457 0.000 12.134) 40.326 1.996 ( 42.592 0.000 4.752) 42.857 2.964 ( -2.879 0.000 -19.039) 19.256 3.283 ( 23.085 0.000 23.169) 32.706 3.654 ( 17.544 0.000 -12.922) 21.789 3.661 ( 13.682 0.000 18.797) 23.250 3.822 ( 20.938 0.000 8.114) 22.455 3.929 ( -10.166 0.000 -0.562) 10.181 4.186 ( -0.737 0.000 2.354) 2.466 4.256 ( 10.164 0.000 3.952) 10.905 4.497 ( -14.927 0.000 8.623) 17.238 4.595 ( -3.480 0.000 2.017) 4.023 4.616 ( -11.493 0.000 -2.805) 11.831 4.830 ( 5.796 0.000 -3.923) 6.999 4.893 ( -0.568 0.000 -5.493) 5.522 5.044 ( 2.943 0.000 -4.688) 5.535 5.251 ( 21.666 0.000 2.226) 21.780 5.317 ( -6.055 0.000 1.155) 6.164 5.331 ( 2.251 0.000 -2.879) 3.654 5.523 ( 6.048 0.000 7.233) 9.429 5.539 ( -4.964 0.000 15.194) 15.984 5.688 ( -3.511 0.000 -0.123) 3.513 5.804 ( 1.470 0.000 -3.115) 3.445 5.812 ( 2.342 0.000 -4.700) 5.251 5.979 ( 1.103 0.000 -5.301) 5.414 6.047 ( 7.433 0.000 2.734) 7.920 6.085 ( 17.034 0.000 -10.851) 20.197 6.514 ( 3.100 0.000 5.701) 6.489 6.633 ( 10.405 0.000 -7.690) 12.938 6.906 ( -4.362 0.000 -7.336) 8.535 7.018 ( 2.941 0.000 -0.084) 2.942 7.043 ( 12.854 0.000 7.769) 15.020 7.122 ( -4.937 0.000 6.155) 7.890 7.280 ( -3.616 0.000 -1.715) 4.002 7.582 ( 0.382 0.000 1.347) 1.400 7.767 ( 4.781 0.000 -11.649) 12.591 7.781 ( -24.124 0.000 2.224) 24.227 7.915 ( -27.279 0.000 2.560) 27.399 7.966 ( -14.344 0.000 -7.301) 16.095 8.160 ( -13.976 0.000 0.442) 13.983 8.427 ( -13.362 0.000 -1.778) 13.479 8.530 ( -8.572 0.000 8.486) 12.062 8.705 ( -1.359 0.000 -4.852) 5.039 9.182 ( -6.095 0.000 -6.414) 8.848 9.387 ( -2.524 0.000 0.872) 2.670 9.522 ( -4.124 0.000 -4.129) 5.836 9.760 ( 1.348 0.000 4.203) 4.414 9.986 ( 2.145 0.000 -7.518) 7.818 10.808 ( 5.208 0.000 12.518) 13.558 11.350 ( 1.943 0.000 -1.838) 2.675 11.674 ( 2.862 0.000 -5.944) 6.597 11.810 ( -1.145 0.000 -7.169) 7.260 12.487 ( 0.165 0.000 0.136) 0.214 12.538 ( 3.412 0.000 -0.275) 3.423 13.032 ( 0.110 0.000 -0.553) 0.564 13.210 ( 2.211 0.000 -1.166) 2.500 13.587 ( -1.185 0.000 15.229) 15.275 13.915 ( 1.195 0.000 -3.570) 3.765 14.248 ( -0.970 0.000 12.298) 12.336 14.582 ( 0.142 0.000 -5.287) 5.289 14.657 ( 6.269 0.000 -9.824) 11.654 15.078 ( -2.945 0.000 -4.762) 5.599 15.310 ( -1.975 0.000 11.302) 11.473 15.464 ( -5.144 0.000 11.773) 12.848 16.103 ( -0.397 0.000 -7.343) 7.354 16.426 ( -1.186 0.000 7.438) 7.532 16.496 ( -2.937 0.000 -13.797) 14.106 16.768 ( 0.118 0.000 -1.708) 1.712 17.051 ( -0.695 0.000 0.398) 0.801 17.223 ( -2.826 0.000 2.926) 4.068 20.541 ( 4.420 0.000 -3.214) 5.464 21.125 ( -5.443 0.000 8.008) 9.683 21.135 ( -2.007 0.000 0.105) 2.010 21.298 ( -1.660 0.000 -9.667) 9.808 22.071 ( 5.447 0.000 9.971) 11.362 22.698 ( -4.699 0.000 -1.044) 4.813 23.452 ( 0.412 0.000 7.504) 7.516 23.901 ( -0.508 0.000 22.810) 22.815 24.066 ( -0.678 0.000 -7.321) 7.353 24.645 ( 1.249 0.000 -7.201) 7.309 26.092 ( 1.753 0.000 1.129) 2.085 26.374 ( 0.032 0.000 4.032) 4.032 26.392 ( -6.117 0.000 2.114) 6.472 26.762 ( 0.146 0.000 -4.868) 4.870 26.958 ( 0.077 0.000 2.167) 2.168 27.004 ( 0.087 0.000 2.676) 2.677 27.311 ( 5.473 0.000 -3.998) 6.778 27.477 ( -1.686 0.000 -2.266) 2.824 27.749 ( -0.973 0.000 7.302) 7.366 27.841 ( -9.295 0.000 2.240) 9.561 28.294 ( -10.294 0.000 2.301) 10.548 28.670 ( 5.579 0.000 -8.185) 9.905 29.181 ( 10.239 0.000 10.245) 14.484 30.590 ( 15.514 0.000 -5.727) 16.537 30.857 ( 1.853 0.000 1.127) 2.169 31.465 ( -6.773 0.000 -22.889) 23.870 ======================= Grid point 80 (28/108) ======================= q-point: ( 0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.637 ( 31.247 0.000 7.967) 32.246 2.825 ( 37.978 0.000 3.559) 38.144 2.912 ( -4.157 0.000 -16.617) 17.129 3.151 ( -23.027 0.000 -4.088) 23.387 3.654 ( -7.431 0.000 8.878) 11.577 3.798 ( -17.764 0.000 7.230) 19.179 3.857 ( -3.299 0.000 -0.614) 3.356 4.077 ( 6.587 0.000 5.610) 8.652 4.212 ( 5.288 0.000 12.528) 13.598 4.256 ( -5.274 0.000 7.418) 9.102 4.398 ( 4.244 0.000 -21.119) 21.541 4.616 ( 4.465 0.000 -4.148) 6.095 4.839 ( 23.501 0.000 3.599) 23.775 4.840 ( -0.808 0.000 2.268) 2.408 4.922 ( 4.009 0.000 -2.981) 4.996 5.110 ( -6.500 0.000 10.249) 12.136 5.312 ( 2.053 0.000 5.334) 5.716 5.331 ( -2.780 0.000 -6.578) 7.141 5.379 ( 3.001 0.000 0.211) 3.008 5.542 ( -1.998 0.000 3.031) 3.630 5.707 ( 3.985 0.000 9.860) 10.635 5.722 ( 18.043 0.000 3.979) 18.477 5.837 ( 1.475 0.000 0.628) 1.603 5.864 ( 2.010 0.000 -0.256) 2.026 6.021 ( 1.173 0.000 0.653) 1.342 6.348 ( 16.262 0.000 -7.549) 17.928 6.458 ( 17.649 0.000 -8.405) 19.548 6.528 ( 0.032 0.000 5.081) 5.081 6.754 ( -4.027 0.000 -5.565) 6.869 6.897 ( 7.402 0.000 -5.128) 9.005 6.906 ( -21.397 0.000 6.734) 22.431 7.099 ( -6.398 0.000 -2.494) 6.867 7.150 ( 2.336 0.000 3.342) 4.077 7.228 ( -4.342 0.000 -0.046) 4.342 7.350 ( 6.781 0.000 1.333) 6.911 7.444 ( -13.280 0.000 2.805) 13.573 7.565 ( -13.388 0.000 6.352) 14.818 7.592 ( -9.215 0.000 5.479) 10.720 7.927 ( -7.891 0.000 -12.404) 14.701 8.049 ( 14.002 0.000 -22.800) 26.756 8.192 ( -7.622 0.000 -0.796) 7.663 8.363 ( -6.601 0.000 12.290) 13.950 8.600 ( -7.127 0.000 -5.944) 9.280 9.062 ( -6.279 0.000 1.677) 6.499 9.340 ( -1.754 0.000 -1.829) 2.534 9.382 ( -6.426 0.000 -8.469) 10.631 9.772 ( -0.092 0.000 6.398) 6.398 10.086 ( 6.243 0.000 -7.230) 9.552 10.887 ( 1.974 0.000 13.963) 14.102 11.366 ( -0.507 0.000 -2.721) 2.768 11.716 ( 1.807 0.000 -5.965) 6.232 11.780 ( -1.603 0.000 -8.131) 8.288 12.534 ( 3.325 0.000 -0.391) 3.348 12.618 ( 3.535 0.000 -0.439) 3.562 13.035 ( 0.258 0.000 0.301) 0.397 13.249 ( 1.418 0.000 -0.643) 1.557 13.542 ( -2.830 0.000 13.869) 14.155 13.942 ( 1.344 0.000 -3.853) 4.081 14.228 ( -1.485 0.000 9.161) 9.281 14.563 ( -1.640 0.000 -4.842) 5.112 14.762 ( 3.846 0.000 -6.010) 7.135 14.992 ( -5.013 0.000 -5.769) 7.643 15.303 ( 1.114 0.000 10.977) 11.033 15.400 ( -0.873 0.000 12.285) 12.316 16.098 ( -0.066 0.000 -7.323) 7.323 16.412 ( -0.159 0.000 7.275) 7.277 16.457 ( -0.853 0.000 -16.527) 16.549 16.770 ( 0.103 0.000 -1.489) 1.493 17.038 ( -0.564 0.000 -0.352) 0.665 17.184 ( -1.258 0.000 2.244) 2.573 20.630 ( 4.510 0.000 -1.729) 4.831 21.041 ( -3.010 0.000 6.096) 6.799 21.089 ( -2.155 0.000 0.990) 2.372 21.263 ( -1.277 0.000 -11.363) 11.434 22.171 ( 3.765 0.000 8.856) 9.623 22.617 ( -3.504 0.000 -1.785) 3.932 23.462 ( 0.351 0.000 5.908) 5.919 23.892 ( -0.525 0.000 20.487) 20.493 24.053 ( -0.465 0.000 -7.309) 7.324 24.698 ( 3.526 0.000 -4.207) 5.489 26.139 ( 2.958 0.000 2.245) 3.714 26.281 ( -4.330 0.000 0.935) 4.430 26.376 ( 0.155 0.000 3.819) 3.822 26.766 ( 0.178 0.000 -5.316) 5.319 26.954 ( -0.451 0.000 2.059) 2.108 27.005 ( -0.144 0.000 3.476) 3.479 27.425 ( 4.844 0.000 -5.270) 7.158 27.446 ( -1.237 0.000 -3.009) 3.253 27.706 ( -3.554 0.000 2.522) 4.358 27.752 ( 1.480 0.000 6.158) 6.333 28.095 ( -8.493 0.000 4.865) 9.788 28.737 ( 1.181 0.000 -9.913) 9.983 29.376 ( 8.024 0.000 14.398) 16.483 30.874 ( -0.153 0.000 1.217) 1.227 30.887 ( 12.599 0.000 -5.699) 13.828 31.243 ( -13.322 0.000 -20.026) 24.053 ======================= Grid point 81 (29/108) ======================= q-point: (-0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.529 ( -35.893 0.000 -0.377) 35.895 2.732 ( -11.441 0.000 -16.262) 19.883 2.823 ( -22.200 0.000 15.865) 27.286 3.485 ( 21.032 0.000 -0.958) 21.054 3.550 ( 3.827 0.000 3.134) 4.947 3.628 ( -11.145 0.000 -13.958) 17.861 3.735 ( 16.706 0.000 0.910) 16.731 4.048 ( -12.607 0.000 14.698) 19.364 4.239 ( 4.237 0.000 7.710) 8.797 4.259 ( -4.953 0.000 5.013) 7.047 4.617 ( 6.433 0.000 -5.038) 8.171 4.682 ( 2.386 0.000 -1.931) 3.069 4.791 ( -9.141 0.000 1.314) 9.235 4.822 ( -13.377 0.000 3.848) 13.919 4.935 ( -8.111 0.000 2.009) 8.356 5.008 ( 5.957 0.000 -6.515) 8.828 5.214 ( 2.918 0.000 -0.527) 2.965 5.217 ( -13.694 0.000 -0.457) 13.701 5.506 ( 1.532 0.000 0.255) 1.553 5.589 ( 2.536 0.000 2.226) 3.374 5.791 ( 2.071 0.000 10.900) 11.095 5.825 ( -2.623 0.000 2.914) 3.921 5.862 ( 1.946 0.000 0.912) 2.149 5.950 ( -1.435 0.000 7.181) 7.323 6.084 ( 7.528 0.000 8.297) 11.203 6.412 ( -11.567 0.000 3.475) 12.077 6.477 ( 6.709 0.000 -9.400) 11.549 6.612 ( -9.109 0.000 -2.342) 9.405 6.713 ( 2.812 0.000 -8.288) 8.752 6.822 ( -25.866 0.000 8.206) 27.136 6.913 ( 1.315 0.000 -8.558) 8.659 6.980 ( 23.242 0.000 -4.445) 23.663 7.107 ( -5.710 0.000 0.559) 5.737 7.171 ( -4.247 0.000 -1.558) 4.524 7.327 ( -3.020 0.000 5.475) 6.253 7.466 ( 11.390 0.000 -0.894) 11.425 7.564 ( 2.764 0.000 1.374) 3.087 7.638 ( 22.520 0.000 9.561) 24.465 7.875 ( 0.285 0.000 -6.607) 6.613 8.093 ( -0.769 0.000 3.221) 3.311 8.268 ( 8.229 0.000 -28.757) 29.911 8.364 ( 5.976 0.000 5.261) 7.962 8.613 ( 9.277 0.000 -4.747) 10.421 8.912 ( -6.797 0.000 8.091) 10.567 9.304 ( -2.398 0.000 1.350) 2.752 9.340 ( 2.434 0.000 -13.152) 13.375 9.773 ( 0.713 0.000 1.802) 1.938 10.194 ( 3.513 0.000 -2.879) 4.542 10.883 ( -2.212 0.000 14.154) 14.326 11.335 ( -2.223 0.000 -2.716) 3.510 11.744 ( 0.423 0.000 -5.001) 5.019 11.749 ( -1.358 0.000 -9.448) 9.545 12.590 ( 1.824 0.000 0.117) 1.828 12.654 ( -0.094 0.000 0.480) 0.489 13.045 ( 0.772 0.000 -0.542) 0.944 13.263 ( 0.006 0.000 -0.067) 0.067 13.492 ( -1.733 0.000 13.020) 13.135 13.967 ( 1.174 0.000 -2.657) 2.905 14.186 ( -2.359 0.000 7.138) 7.518 14.520 ( -2.819 0.000 -5.477) 6.160 14.813 ( 1.442 0.000 -2.197) 2.628 14.916 ( -1.275 0.000 -7.072) 7.186 15.346 ( 2.884 0.000 12.323) 12.656 15.419 ( 2.266 0.000 10.675) 10.912 16.101 ( 0.298 0.000 -7.875) 7.880 16.418 ( 0.750 0.000 7.561) 7.598 16.459 ( 0.998 0.000 -16.690) 16.720 16.772 ( 0.082 0.000 -1.630) 1.632 17.026 ( -0.577 0.000 -0.891) 1.062 17.172 ( 0.196 0.000 2.858) 2.865 20.728 ( 5.101 0.000 0.732) 5.153 21.004 ( -0.315 0.000 5.534) 5.542 21.063 ( -0.188 0.000 -2.508) 2.516 21.249 ( -0.291 0.000 -9.201) 9.206 22.207 ( -0.394 0.000 10.013) 10.021 22.549 ( -3.384 0.000 -3.556) 4.909 23.459 ( -0.737 0.000 5.512) 5.561 23.876 ( -1.141 0.000 18.461) 18.496 24.049 ( 0.082 0.000 -7.136) 7.137 24.774 ( 3.737 0.000 -1.301) 3.957 26.219 ( 5.180 0.000 5.655) 7.668 26.231 ( -0.226 0.000 -1.528) 1.545 26.382 ( 0.408 0.000 3.726) 3.748 26.769 ( 0.211 0.000 -5.403) 5.407 26.943 ( -0.550 0.000 1.767) 1.850 26.996 ( -0.657 0.000 3.688) 3.746 27.424 ( -1.053 0.000 -4.882) 4.995 27.464 ( -1.568 0.000 -4.143) 4.430 27.704 ( 3.184 0.000 2.797) 4.238 27.796 ( 1.117 0.000 9.123) 9.191 28.008 ( 2.155 0.000 1.085) 2.413 28.726 ( -1.998 0.000 -8.625) 8.854 29.474 ( 1.038 0.000 17.106) 17.138 30.855 ( -1.566 0.000 0.740) 1.732 30.881 ( -15.270 0.000 -7.458) 16.994 31.148 ( 5.787 0.000 -21.905) 22.657 ======================= Grid point 82 (30/108) ======================= q-point: (-0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( -38.538 0.000 6.238) 39.040 2.126 ( -38.826 0.000 21.951) 44.601 2.567 ( -3.789 0.000 -21.406) 21.739 3.256 ( -25.495 0.000 -8.411) 26.847 3.366 ( -42.977 0.000 17.678) 46.471 3.672 ( 5.033 0.000 6.114) 7.919 3.825 ( 2.263 0.000 -5.662) 6.098 4.073 ( 3.712 0.000 2.274) 4.353 4.114 ( -4.358 0.000 7.192) 8.410 4.237 ( 0.793 0.000 5.252) 5.312 4.461 ( -16.528 0.000 -6.818) 17.878 4.601 ( 8.303 0.000 4.513) 9.451 4.718 ( 2.713 0.000 -0.059) 2.714 4.885 ( 1.452 0.000 -0.824) 1.669 4.931 ( 5.461 0.000 -5.185) 7.530 4.953 ( -6.737 0.000 -0.130) 6.738 5.196 ( 8.984 0.000 -7.218) 11.524 5.354 ( 4.315 0.000 4.719) 6.395 5.501 ( 2.871 0.000 1.378) 3.185 5.578 ( -2.851 0.000 3.598) 4.591 5.689 ( -12.295 0.000 14.505) 19.014 5.814 ( -0.305 0.000 9.983) 9.988 5.849 ( -1.617 0.000 -0.034) 1.617 5.883 ( 0.557 0.000 -1.626) 1.719 6.125 ( -19.976 0.000 -1.113) 20.007 6.188 ( 1.739 0.000 10.347) 10.493 6.364 ( -12.364 0.000 -7.075) 14.245 6.422 ( -7.500 0.000 6.865) 10.168 6.665 ( 9.508 0.000 -9.911) 13.734 6.680 ( -2.404 0.000 -1.091) 2.640 6.818 ( -13.794 0.000 -2.189) 13.966 7.049 ( 0.515 0.000 -5.378) 5.403 7.139 ( -1.220 0.000 3.130) 3.360 7.167 ( 4.655 0.000 -4.181) 6.257 7.538 ( 0.671 0.000 2.126) 2.230 7.636 ( -1.558 0.000 -13.407) 13.497 7.658 ( 24.727 0.000 -3.143) 24.926 7.905 ( 8.932 0.000 2.032) 9.160 8.158 ( 13.976 0.000 10.920) 17.736 8.297 ( 24.607 0.000 2.589) 24.743 8.461 ( 4.001 0.000 -3.933) 5.610 8.535 ( 10.958 0.000 -2.521) 11.244 8.701 ( 4.751 0.000 -14.575) 15.330 8.954 ( 7.980 0.000 7.527) 10.970 9.237 ( -3.358 0.000 3.995) 5.219 9.446 ( 6.638 0.000 -15.386) 16.757 9.806 ( 1.770 0.000 -2.441) 3.016 10.205 ( -2.589 0.000 1.013) 2.780 10.811 ( -4.485 0.000 13.548) 14.271 11.285 ( -2.644 0.000 -2.329) 3.523 11.710 ( -3.909 0.000 -3.682) 5.370 11.734 ( 0.211 0.000 -10.000) 10.002 12.602 ( -0.584 0.000 -1.267) 1.395 12.629 ( -1.927 0.000 2.676) 3.297 13.064 ( 0.843 0.000 -2.813) 2.937 13.253 ( -0.861 0.000 0.133) 0.871 13.477 ( 0.198 0.000 13.817) 13.818 13.980 ( -0.438 0.000 -0.668) 0.799 14.158 ( 0.660 0.000 7.728) 7.756 14.453 ( -3.060 0.000 -7.825) 8.402 14.836 ( 1.240 0.000 0.600) 1.378 14.954 ( 4.265 0.000 -8.142) 9.191 15.411 ( 3.157 0.000 14.182) 14.529 15.479 ( 3.568 0.000 9.086) 9.761 16.108 ( 0.395 0.000 -8.466) 8.475 16.439 ( 1.117 0.000 7.990) 8.068 16.491 ( 2.073 0.000 -14.653) 14.799 16.774 ( 0.163 0.000 -2.024) 2.030 17.018 ( -0.057 0.000 -1.168) 1.170 17.203 ( 3.302 0.000 5.235) 6.189 20.809 ( 1.524 0.000 -0.398) 1.575 21.067 ( 8.278 0.000 10.983) 13.753 21.080 ( 1.632 0.000 -7.624) 7.796 21.245 ( -0.117 0.000 -5.491) 5.492 22.157 ( -4.227 0.000 12.531) 13.225 22.475 ( -3.883 0.000 -5.056) 6.375 23.433 ( -1.745 0.000 5.723) 5.983 23.847 ( -1.763 0.000 16.146) 16.242 24.057 ( 0.643 0.000 -6.895) 6.925 24.835 ( 1.804 0.000 0.466) 1.863 26.282 ( 5.167 0.000 -3.774) 6.398 26.345 ( 5.162 0.000 8.464) 9.914 26.411 ( 5.052 0.000 6.001) 7.844 26.775 ( 0.318 0.000 -5.118) 5.128 26.936 ( -0.083 0.000 1.836) 1.838 26.986 ( -0.201 0.000 3.365) 3.371 27.383 ( -5.405 0.000 -1.391) 5.581 27.405 ( -0.692 0.000 -7.080) 7.114 27.789 ( -0.504 0.000 11.989) 12.000 27.820 ( 7.844 0.000 2.320) 8.180 28.169 ( 11.253 0.000 -3.676) 11.838 28.662 ( -4.260 0.000 -5.652) 7.077 29.407 ( -7.579 0.000 17.298) 18.885 30.541 ( -16.888 0.000 -11.516) 20.441 30.818 ( -1.895 0.000 0.463) 1.951 31.182 ( -4.804 0.000 -26.998) 27.422 ======================= Grid point 83 (31/108) ======================= q-point: (-0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( -22.793 0.000 29.236) 37.071 1.348 ( -35.835 0.000 30.301) 46.929 2.145 ( -56.558 0.000 46.858) 73.447 2.634 ( 10.588 0.000 -18.681) 21.472 3.082 ( -5.657 0.000 -27.689) 28.261 3.637 ( -10.528 0.000 5.467) 11.863 3.777 ( -4.370 0.000 -0.588) 4.410 3.904 ( -11.781 0.000 -0.404) 11.788 4.043 ( -2.524 0.000 7.919) 8.312 4.146 ( -2.802 0.000 -3.352) 4.368 4.377 ( 0.585 0.000 -0.257) 0.639 4.657 ( -10.429 0.000 -6.451) 12.263 4.831 ( 5.490 0.000 -2.399) 5.991 4.860 ( 8.129 0.000 -10.183) 13.030 4.992 ( 0.568 0.000 4.750) 4.784 5.041 ( 4.278 0.000 3.863) 5.764 5.333 ( -1.589 0.000 0.609) 1.702 5.342 ( -1.114 0.000 -2.182) 2.450 5.486 ( -1.440 0.000 3.231) 3.538 5.595 ( 9.300 0.000 14.762) 17.448 5.638 ( 5.425 0.000 0.110) 5.426 5.734 ( -4.640 0.000 -1.023) 4.752 5.796 ( -3.051 0.000 2.368) 3.862 5.889 ( 1.823 0.000 5.931) 6.205 5.943 ( 3.455 0.000 2.477) 4.251 6.170 ( -3.294 0.000 8.789) 9.386 6.181 ( -6.893 0.000 -1.782) 7.120 6.371 ( 1.038 0.000 4.686) 4.799 6.544 ( -10.675 0.000 3.127) 11.123 6.644 ( -0.804 0.000 3.019) 3.124 6.856 ( 7.926 0.000 -5.519) 9.658 7.034 ( -0.992 0.000 -10.179) 10.227 7.163 ( 4.390 0.000 2.798) 5.206 7.273 ( 3.273 0.000 -6.735) 7.489 7.512 ( -0.065 0.000 5.138) 5.138 7.559 ( -2.697 0.000 -3.984) 4.811 8.133 ( 19.046 0.000 1.428) 19.099 8.166 ( 13.354 0.000 -3.594) 13.829 8.313 ( 3.731 0.000 5.569) 6.703 8.439 ( -0.845 0.000 1.608) 1.816 8.580 ( 4.562 0.000 0.963) 4.663 8.780 ( 0.365 0.000 -16.543) 16.547 8.867 ( 5.003 0.000 -14.377) 15.222 9.096 ( 6.975 0.000 11.845) 13.746 9.250 ( 6.058 0.000 6.841) 9.138 9.534 ( 0.338 0.000 -17.455) 17.458 9.791 ( -3.867 0.000 -3.027) 4.911 10.115 ( -4.801 0.000 2.495) 5.411 10.725 ( -3.444 0.000 10.928) 11.458 11.232 ( -2.327 0.000 -4.624) 5.176 11.609 ( -4.750 0.000 -0.239) 4.756 11.760 ( 2.051 0.000 -9.398) 9.620 12.584 ( -2.478 0.000 4.323) 4.983 12.587 ( 0.017 0.000 -1.589) 1.589 13.067 ( -0.718 0.000 -4.628) 4.683 13.235 ( -0.763 0.000 -1.005) 1.262 13.501 ( 2.005 0.000 15.438) 15.568 13.944 ( -2.574 0.000 -0.627) 2.649 14.234 ( 6.218 0.000 9.124) 11.041 14.426 ( 0.789 0.000 -8.566) 8.602 14.872 ( 1.516 0.000 1.279) 1.984 15.046 ( 3.973 0.000 -7.194) 8.218 15.453 ( 0.673 0.000 12.342) 12.360 15.565 ( 4.564 0.000 10.541) 11.487 16.114 ( 0.194 0.000 -8.599) 8.601 16.459 ( 0.814 0.000 8.213) 8.253 16.545 ( 3.366 0.000 -10.713) 11.229 16.779 ( 0.302 0.000 -2.679) 2.696 17.029 ( 1.056 0.000 -0.910) 1.394 17.342 ( 11.638 0.000 7.528) 13.861 20.762 ( -6.496 0.000 -4.044) 7.652 21.121 ( 2.310 0.000 -13.891) 14.082 21.244 ( 0.107 0.000 -0.018) 0.108 21.392 ( 23.256 0.000 14.222) 27.260 22.057 ( -5.043 0.000 15.084) 15.905 22.415 ( 1.003 0.000 0.460) 1.103 23.399 ( -1.012 0.000 6.914) 6.988 23.807 ( -2.118 0.000 13.598) 13.762 24.071 ( 0.710 0.000 -6.634) 6.672 24.831 ( -2.355 0.000 -1.002) 2.560 26.376 ( 0.209 0.000 4.622) 4.626 26.418 ( 7.132 0.000 -3.434) 7.916 26.662 ( 16.588 0.000 9.412) 19.072 26.780 ( 0.104 0.000 -4.198) 4.199 26.946 ( 1.511 0.000 3.379) 3.701 26.994 ( 0.919 0.000 2.495) 2.659 27.281 ( -3.930 0.000 1.185) 4.105 27.409 ( 1.515 0.000 -8.914) 9.042 27.815 ( 5.105 0.000 14.307) 15.190 28.004 ( 9.834 0.000 2.353) 10.112 28.400 ( 10.515 0.000 -3.737) 11.159 28.552 ( -6.659 0.000 -3.760) 7.647 29.197 ( -11.783 0.000 15.332) 19.336 30.207 ( -17.405 0.000 -19.774) 26.343 30.784 ( -1.327 0.000 -0.102) 1.331 30.849 ( -29.767 0.000 -28.266) 41.049 ======================= Grid point 84 (32/108) ======================= q-point: ( 0.00 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( 10.898 35.126 20.436) 42.074 1.387 ( 11.874 25.443 39.860) 48.756 2.008 ( -10.760 48.610 46.538) 68.151 2.783 ( 10.635 -6.722 -13.895) 18.745 3.177 ( 1.796 3.376 -10.917) 11.568 3.553 ( -6.357 14.097 -2.902) 15.734 3.730 ( -0.535 3.531 -1.481) 3.866 3.829 ( -0.737 6.565 -6.333) 9.152 4.035 ( 2.940 1.515 6.665) 7.440 4.215 ( 3.489 -3.649 -3.046) 5.896 4.371 ( -1.335 3.624 2.440) 4.568 4.556 ( -1.778 0.996 -4.934) 5.338 4.692 ( 1.964 -11.018 0.838) 11.223 4.878 ( 2.498 -3.574 -2.717) 5.137 4.919 ( -2.561 -0.410 1.143) 2.834 5.061 ( -6.477 -0.120 -2.237) 6.854 5.207 ( -6.734 -6.345 8.838) 12.795 5.318 ( -1.066 -1.580 -3.030) 3.580 5.384 ( 6.238 -3.043 -5.632) 8.938 5.549 ( -4.733 2.350 -3.620) 6.405 5.621 ( 0.226 -6.420 -5.443) 8.420 5.675 ( -1.071 -4.766 -3.771) 6.171 5.845 ( -2.099 -5.264 4.918) 7.503 5.881 ( 3.927 -4.546 1.960) 6.319 6.020 ( -4.165 3.787 0.136) 5.631 6.136 ( 3.289 7.211 -1.025) 7.992 6.322 ( -1.089 1.180 -1.596) 2.264 6.359 ( -3.590 -1.971 9.377) 10.232 6.472 ( 1.084 2.992 6.060) 6.845 6.853 ( -0.219 4.646 -9.565) 10.636 6.992 ( 0.727 2.782 -2.067) 3.541 7.100 ( -1.719 3.743 -6.397) 7.609 7.233 ( 0.535 -1.761 1.240) 2.219 7.286 ( 0.960 2.585 -6.601) 7.153 7.560 ( 5.102 -3.374 4.375) 7.520 7.673 ( 2.504 2.373 2.563) 4.298 8.185 ( -6.890 -0.966 -0.336) 6.966 8.373 ( 3.587 0.872 -6.993) 7.907 8.436 ( -11.956 2.835 2.790) 12.600 8.498 ( 5.817 4.657 5.005) 8.976 8.597 ( 7.364 3.670 -0.512) 8.243 8.617 ( 3.241 3.043 1.793) 4.793 8.839 ( -7.394 0.965 -3.564) 8.265 9.150 ( 7.848 -5.117 12.353) 15.505 9.439 ( -5.835 0.448 -17.420) 18.377 9.518 ( 4.248 10.174 5.390) 12.272 9.826 ( -1.566 8.087 -1.888) 8.450 10.066 ( -0.196 1.154 -0.192) 1.186 10.659 ( -0.445 -2.499 7.418) 7.841 11.185 ( 1.301 -3.399 -7.947) 8.740 11.518 ( 0.297 -2.042 3.851) 4.369 11.787 ( 0.293 -2.461 -3.378) 4.190 12.465 ( -2.179 -2.891 -1.343) 3.861 12.600 ( -0.859 -0.694 -2.814) 3.023 13.032 ( -1.021 -1.752 -5.399) 5.767 13.218 ( -0.237 0.846 0.477) 1.000 13.532 ( 0.985 -3.553 9.890) 10.555 13.770 ( 1.571 -9.603 -3.227) 10.252 14.109 ( -1.042 -16.697 7.339) 18.269 14.266 ( 3.219 -7.316 4.500) 9.172 14.804 ( -5.622 5.021 8.743) 11.543 15.243 ( 0.558 -4.170 0.084) 4.208 15.441 ( -1.549 -1.011 7.749) 7.967 15.923 ( 0.928 12.582 -14.782) 19.434 16.071 ( 1.127 -4.449 -10.274) 11.253 16.467 ( -0.661 -2.736 2.295) 3.632 16.607 ( 0.028 3.791 -3.811) 5.376 16.762 ( -0.251 -1.558 -2.213) 2.717 17.019 ( -1.835 -2.838 1.424) 3.668 17.394 ( 1.494 -7.875 2.020) 8.266 20.359 ( -2.358 -9.358 1.795) 9.816 21.020 ( -2.782 -6.183 -8.629) 10.974 21.288 ( 2.866 1.904 7.085) 7.876 21.920 ( -11.982 17.396 -9.561) 23.186 22.217 ( 1.473 15.510 4.863) 16.321 22.709 ( 15.640 -6.356 1.062) 16.915 23.421 ( -0.239 5.039 3.610) 6.203 23.797 ( 1.067 0.327 14.935) 14.976 24.124 ( -0.646 3.791 -9.659) 10.396 24.691 ( -3.188 -5.272 -4.413) 7.579 26.167 ( -6.713 -14.060 7.155) 17.145 26.301 ( -2.291 -12.781 0.862) 13.014 26.512 ( -0.223 -0.061 3.083) 3.092 26.888 ( -0.410 2.049 0.469) 2.141 26.972 ( -0.193 2.271 2.970) 3.744 27.314 ( -1.649 14.005 -11.117) 17.956 27.459 ( -8.633 17.204 -3.804) 19.621 27.671 ( 4.430 16.041 -6.553) 17.885 28.000 ( -5.374 3.046 4.277) 7.513 28.170 ( 1.248 -0.173 5.615) 5.755 28.352 ( 3.234 -3.745 -0.198) 4.952 28.532 ( 1.297 -2.213 -3.654) 4.464 28.972 ( -7.706 -2.401 10.754) 13.446 29.850 ( 13.987 -9.910 -12.576) 21.260 30.543 ( 11.552 2.234 6.266) 13.330 30.750 ( -0.332 -2.542 -0.368) 2.590 ======================= Grid point 85 (33/108) ======================= q-point: ( 0.14 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 12.344 29.421 25.120) 40.608 1.658 ( 29.556 31.603 15.200) 45.862 2.596 ( 49.789 28.130 41.580) 70.705 3.012 ( 6.499 -7.896 -8.328) 13.189 3.183 ( 5.806 1.908 -16.502) 17.598 3.571 ( 6.934 10.931 -0.511) 12.954 3.737 ( 0.674 3.676 -0.736) 3.809 3.895 ( 4.272 -1.572 2.804) 5.346 4.148 ( 6.542 1.970 1.577) 7.011 4.253 ( -3.945 2.523 5.682) 7.363 4.414 ( 10.569 -2.472 -5.287) 12.073 4.612 ( 4.111 0.602 -8.293) 9.276 4.702 ( -4.013 -8.475 4.371) 10.346 4.858 ( -2.857 -3.180 1.837) 4.653 4.904 ( -4.479 -0.428 -2.929) 5.369 4.992 ( 2.965 1.024 -2.265) 3.869 5.121 ( 5.271 -3.308 7.836) 10.006 5.281 ( -0.495 -1.907 -6.672) 6.957 5.453 ( -2.991 -0.499 -4.985) 5.835 5.527 ( -5.791 8.312 3.675) 10.776 5.606 ( 3.216 -1.448 -4.013) 5.343 5.669 ( 1.560 -8.473 -1.725) 8.787 5.760 ( -2.656 -5.971 3.660) 7.490 5.886 ( -6.992 4.088 1.435) 8.225 5.941 ( -1.131 -1.278 0.678) 1.836 6.088 ( -7.861 13.179 -0.360) 15.349 6.185 ( -0.578 9.545 -0.563) 9.579 6.404 ( 4.649 -4.037 -1.783) 6.410 6.516 ( 0.839 8.830 4.884) 10.126 6.770 ( 2.520 0.957 2.314) 3.552 6.979 ( -8.433 -3.856 -3.329) 9.852 7.010 ( 2.312 1.138 -0.848) 2.713 7.244 ( 3.286 -0.227 -7.551) 8.238 7.304 ( -2.441 2.757 3.514) 5.090 7.535 ( -1.117 -2.482 4.801) 5.519 7.721 ( 2.119 2.055 -0.045) 2.952 8.079 ( -6.883 1.817 0.723) 7.156 8.257 ( -9.554 2.309 -5.727) 11.376 8.365 ( -10.920 -4.578 -2.330) 12.067 8.428 ( -6.117 2.256 2.595) 7.017 8.542 ( -10.624 1.988 2.249) 11.040 8.683 ( -2.755 -0.625 2.222) 3.594 8.798 ( -0.316 2.362 -5.476) 5.972 9.257 ( -1.130 -3.702 7.719) 8.635 9.308 ( -3.130 -4.834 -15.074) 16.137 9.638 ( 4.666 10.834 1.269) 11.864 9.822 ( 2.139 9.185 -1.105) 9.496 10.066 ( -0.541 4.379 -3.320) 5.522 10.687 ( 3.180 -2.974 8.143) 9.234 11.257 ( 4.806 -4.734 -6.803) 9.580 11.534 ( 1.449 -1.608 2.513) 3.316 11.798 ( 0.912 -3.564 -2.478) 4.435 12.424 ( -1.743 -2.176 -1.324) 3.087 12.597 ( 1.100 1.751 -2.958) 3.610 13.024 ( 0.108 -2.083 -4.271) 4.753 13.214 ( 0.062 2.297 -0.585) 2.371 13.551 ( 0.844 -4.312 11.180) 12.012 13.807 ( 1.111 -5.995 -4.123) 7.361 14.069 ( -0.994 -14.829 11.774) 18.961 14.344 ( 3.699 -10.497 2.081) 11.323 14.705 ( -2.852 6.574 2.850) 7.712 15.233 ( -0.889 -5.621 3.753) 6.817 15.380 ( -3.839 2.712 4.413) 6.448 15.779 ( -12.460 14.677 -6.642) 20.366 16.060 ( -1.309 -5.904 -7.869) 9.924 16.419 ( -2.568 -3.733 3.429) 5.683 16.589 ( -1.593 4.123 -4.816) 6.537 16.758 ( -0.010 -0.917 -2.002) 2.202 16.964 ( -2.362 -6.592 3.095) 7.656 17.340 ( -3.987 0.056 1.529) 4.271 20.389 ( 4.153 -6.108 -1.297) 7.499 20.970 ( -1.981 -5.587 -3.660) 6.967 21.313 ( -0.574 -1.556 3.514) 3.886 21.624 ( -13.957 22.487 -4.614) 26.865 22.229 ( 1.896 16.476 7.986) 18.408 22.784 ( -3.796 -3.912 0.075) 5.451 23.437 ( 1.515 2.648 5.553) 6.336 23.847 ( 2.056 -2.272 19.051) 19.296 24.136 ( 1.134 3.642 -10.380) 11.059 24.634 ( -1.936 -2.342 -5.419) 6.213 26.040 ( -2.245 -5.112 3.656) 6.674 26.264 ( -2.270 -12.746 1.661) 13.052 26.483 ( -1.962 2.696 4.306) 5.446 26.868 ( -1.054 4.965 -0.621) 5.114 26.975 ( 0.358 1.064 2.577) 2.811 27.190 ( -6.480 17.912 -4.681) 19.614 27.365 ( 0.804 10.396 -3.867) 11.121 27.702 ( -1.846 17.293 -1.856) 17.490 27.847 ( -4.247 5.073 9.654) 11.704 28.067 ( -8.452 1.501 3.129) 9.137 28.442 ( -3.621 -2.932 -1.457) 4.881 28.539 ( 4.829 1.190 -5.279) 7.253 28.952 ( 5.568 -5.025 7.634) 10.702 30.196 ( 14.691 -11.017 -9.391) 20.626 30.770 ( 1.974 -3.678 0.023) 4.174 31.052 ( 22.030 -21.118 -12.556) 32.999 ======================= Grid point 86 (34/108) ======================= q-point: ( 0.29 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( 32.231 10.787 12.183) 36.105 2.347 ( 35.281 22.106 9.467) 42.697 3.004 ( -0.984 4.221 -14.881) 15.499 3.435 ( 14.096 6.824 10.056) 18.612 3.482 ( 15.244 -1.495 1.330) 15.374 3.741 ( 6.433 0.231 -4.645) 7.939 3.874 ( 19.893 6.696 13.434) 24.920 3.918 ( -0.319 -0.391 6.590) 6.610 4.133 ( -6.748 -2.196 2.786) 7.624 4.289 ( 11.929 0.790 -0.332) 11.959 4.449 ( -13.468 -3.375 9.642) 16.904 4.570 ( -5.385 -0.819 -2.641) 6.054 4.644 ( -0.522 3.222 -2.601) 4.174 4.854 ( 8.345 1.050 -8.062) 11.651 4.881 ( 0.122 -2.477 -1.536) 2.917 5.064 ( -0.493 -0.308 -2.389) 2.459 5.251 ( -2.515 -8.901 3.676) 9.953 5.336 ( 6.213 4.132 0.673) 7.492 5.391 ( 8.210 6.868 -2.044) 10.897 5.511 ( 1.690 2.334 5.564) 6.265 5.559 ( 2.411 2.941 11.967) 12.557 5.780 ( 5.636 6.485 -3.663) 9.340 5.806 ( 3.981 -2.716 0.183) 4.823 5.853 ( 2.713 3.435 -7.780) 8.927 5.930 ( 0.925 -2.176 -2.315) 3.309 6.085 ( 5.246 6.574 -1.464) 8.537 6.197 ( 6.109 7.887 -2.927) 10.396 6.515 ( 4.125 -1.591 2.921) 5.299 6.586 ( 7.368 0.046 -2.974) 7.946 6.816 ( -6.316 -7.477 -2.444) 10.088 6.927 ( 8.870 -2.200 0.570) 9.157 7.080 ( 3.078 0.584 0.579) 3.186 7.239 ( -1.289 3.213 1.675) 3.845 7.280 ( -1.263 3.245 2.157) 4.096 7.538 ( -0.556 -3.902 2.759) 4.811 7.746 ( -0.371 -1.071 -8.713) 8.786 7.813 ( -23.210 2.601 -1.141) 23.383 7.929 ( -19.309 1.687 4.206) 19.834 8.052 ( -13.689 7.782 -7.868) 17.602 8.165 ( -13.768 0.278 0.972) 13.805 8.398 ( -10.177 -2.043 -1.892) 10.552 8.532 ( -8.697 -0.076 6.394) 10.795 8.732 ( -5.024 1.789 -1.576) 5.561 9.149 ( -5.685 -0.947 -3.849) 6.931 9.280 ( -2.171 -9.267 -1.641) 9.659 9.641 ( -3.196 11.443 -4.809) 12.818 9.901 ( 3.671 10.880 0.580) 11.497 10.051 ( 0.003 6.037 -4.973) 7.821 10.769 ( 4.090 -4.021 9.584) 11.170 11.339 ( 2.916 -3.203 -4.157) 6.004 11.568 ( 1.465 -4.392 -1.634) 4.910 11.817 ( 0.754 -2.401 -1.612) 2.989 12.411 ( 0.985 -0.923 -0.397) 1.407 12.659 ( 4.586 5.897 -4.372) 8.656 13.030 ( 0.438 -1.184 -2.104) 2.453 13.222 ( 0.483 0.195 -0.272) 0.588 13.561 ( -0.035 -2.695 10.838) 11.168 13.821 ( 0.939 -6.375 -3.664) 7.413 14.085 ( 1.557 -13.155 10.335) 16.801 14.402 ( 1.810 -12.272 1.246) 12.467 14.686 ( 0.316 2.625 -2.541) 3.667 15.217 ( -0.935 -8.386 9.317) 12.570 15.310 ( -2.600 9.806 -1.573) 10.266 15.534 ( -10.327 6.885 1.103) 12.461 16.035 ( -1.148 -7.464 -6.908) 10.235 16.374 ( -1.935 -3.908 0.678) 4.413 16.556 ( -1.406 5.555 -5.450) 7.908 16.760 ( 0.100 -0.726 -1.476) 1.648 16.938 ( -0.357 -7.376 2.520) 7.802 17.268 ( -3.164 1.485 0.424) 3.521 20.476 ( 3.790 -7.367 -2.607) 8.685 20.940 ( -0.981 -4.203 -0.257) 4.324 21.272 ( -3.098 -3.903 -1.776) 5.290 21.401 ( -8.042 19.628 -1.573) 21.270 22.295 ( 3.911 12.392 7.684) 15.096 22.707 ( -3.021 2.976 -0.185) 4.245 23.470 ( 1.531 2.817 5.074) 6.002 23.872 ( 0.722 -1.121 19.022) 19.069 24.149 ( 0.152 5.907 -9.323) 11.038 24.631 ( 1.568 -0.597 -3.770) 4.127 26.048 ( 1.686 -4.147 -0.096) 4.478 26.201 ( -3.656 -12.751 2.358) 13.473 26.451 ( -1.069 4.869 4.932) 7.012 26.854 ( -0.394 5.538 -1.898) 5.868 26.982 ( 0.298 1.081 2.882) 3.093 27.123 ( -1.123 12.852 -1.027) 12.941 27.411 ( 3.229 7.630 -5.663) 10.035 27.632 ( -3.868 14.421 -0.398) 14.936 27.793 ( -2.178 4.729 7.163) 8.856 27.910 ( -5.643 6.507 2.042) 8.852 28.284 ( -9.595 -0.921 2.239) 9.896 28.655 ( 4.717 -1.230 -7.666) 9.085 29.126 ( 10.028 -5.272 9.219) 14.607 30.497 ( 14.991 -10.478 -8.514) 20.174 30.812 ( 1.723 -4.201 0.918) 4.633 31.228 ( -1.938 -18.619 -13.527) 23.096 ======================= Grid point 87 (35/108) ======================= q-point: ( 0.43 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.611 ( 33.180 0.213 1.509) 33.215 2.924 ( 5.905 5.291 -8.109) 11.341 3.054 ( 15.586 14.275 3.794) 21.473 3.277 ( -17.870 12.139 -5.033) 22.182 3.629 ( -16.930 -9.291 8.178) 20.972 3.648 ( -2.192 -3.585 8.767) 9.722 3.854 ( -6.053 0.416 -5.136) 7.949 4.037 ( 6.343 -2.324 6.378) 9.290 4.157 ( 4.449 -5.364 8.879) 11.287 4.247 ( -5.916 -0.759 8.953) 10.758 4.441 ( 1.483 4.162 -15.909) 16.511 4.587 ( 2.704 -3.611 -7.548) 8.794 4.834 ( 1.547 -0.759 3.172) 3.610 4.918 ( 2.286 -2.088 -3.841) 4.934 4.953 ( 13.844 9.032 1.947) 16.644 5.123 ( -1.146 -0.169 4.108) 4.268 5.289 ( 10.644 -0.583 11.039) 15.345 5.339 ( -4.491 -1.034 -3.331) 5.686 5.452 ( 8.938 6.790 -1.209) 11.289 5.594 ( -3.176 5.592 3.770) 7.454 5.783 ( 4.558 2.929 1.122) 5.533 5.819 ( 11.568 7.206 4.482) 14.347 5.852 ( 0.379 1.579 -1.954) 2.540 5.909 ( 2.126 5.309 4.605) 7.342 6.010 ( 4.346 2.788 1.509) 5.379 6.346 ( 14.538 -0.385 -5.663) 15.606 6.430 ( 11.729 -2.801 -4.509) 12.874 6.530 ( 0.680 -1.114 2.909) 3.189 6.707 ( -4.353 -1.624 -1.773) 4.973 6.760 ( 3.600 -2.986 -0.917) 4.766 7.050 ( -5.168 2.868 -0.714) 5.953 7.066 ( -2.924 -0.536 4.138) 5.095 7.158 ( -3.564 -1.924 -0.375) 4.067 7.217 ( -7.367 0.968 -5.187) 9.062 7.351 ( -2.872 1.830 3.024) 4.554 7.460 ( -6.453 0.385 4.208) 7.714 7.595 ( -11.170 2.902 8.456) 14.307 7.676 ( -7.933 5.915 4.075) 10.702 7.938 ( -7.354 2.052 -14.144) 16.073 8.035 ( 8.520 -0.573 -17.264) 19.260 8.187 ( -6.441 -0.390 -1.090) 6.544 8.358 ( -7.481 -0.603 8.776) 11.547 8.581 ( -7.937 -2.133 -2.409) 8.564 9.045 ( -4.821 0.378 3.215) 5.807 9.266 ( 1.490 -4.515 -8.994) 10.173 9.564 ( -3.522 14.359 -5.659) 15.830 9.915 ( -1.777 12.223 3.883) 12.948 10.104 ( 4.713 1.924 -6.438) 8.207 10.826 ( 1.194 -5.301 9.746) 11.159 11.369 ( -0.020 -1.767 -2.863) 3.364 11.587 ( 0.421 -6.163 -4.675) 7.747 11.824 ( -0.042 -0.458 -1.116) 1.207 12.463 ( 3.550 -0.887 1.756) 4.058 12.748 ( 3.229 6.988 -4.796) 9.070 13.041 ( 0.647 0.013 -1.342) 1.490 13.223 ( -0.365 -2.798 1.488) 3.190 13.549 ( -1.013 0.293 8.577) 8.641 13.846 ( 1.233 -7.247 -3.872) 8.309 14.106 ( 0.366 -10.762 8.814) 13.916 14.405 ( -1.631 -12.709 -0.072) 12.813 14.709 ( 2.087 -0.220 -0.361) 2.129 15.192 ( -1.891 -6.711 8.476) 10.975 15.246 ( -4.105 11.541 -6.631) 13.929 15.422 ( 0.309 0.604 7.196) 7.228 16.015 ( -0.782 -8.653 -7.137) 11.244 16.344 ( -0.970 -4.373 -1.050) 4.601 16.541 ( -0.018 6.325 -5.417) 8.328 16.761 ( -0.001 -0.873 -1.006) 1.332 16.942 ( 0.578 -6.563 1.966) 6.876 17.212 ( -2.218 0.366 -0.456) 2.294 20.534 ( 1.846 -10.318 -1.672) 10.614 20.934 ( 0.629 -1.025 0.676) 1.379 21.201 ( -3.395 -2.736 -4.528) 6.286 21.301 ( -1.894 15.012 -1.365) 15.192 22.359 ( 1.839 6.876 7.434) 10.292 22.663 ( -1.573 9.122 -1.764) 9.423 23.492 ( 0.548 2.722 4.588) 5.363 23.880 ( -0.005 -0.277 17.834) 17.837 24.147 ( -0.214 7.522 -8.414) 11.288 24.684 ( 3.192 -0.518 -1.575) 3.597 26.086 ( 1.826 -5.478 0.578) 5.803 26.133 ( -2.409 -10.399 1.883) 10.839 26.439 ( -0.093 5.320 5.041) 7.330 26.848 ( -0.209 4.951 -2.441) 5.524 26.988 ( 0.258 2.100 3.378) 3.986 27.116 ( -0.014 11.887 -0.301) 11.890 27.475 ( 2.510 3.543 -5.816) 7.258 27.568 ( -2.288 11.728 -2.568) 12.222 27.762 ( -0.011 6.745 3.921) 7.802 27.860 ( 0.275 9.189 3.846) 9.965 28.092 ( -8.564 -0.095 4.908) 9.872 28.713 ( 1.049 -2.130 -8.982) 9.290 29.312 ( 7.483 -6.103 13.010) 16.202 30.782 ( 12.012 -13.277 -11.850) 21.471 30.830 ( 0.327 -4.145 1.154) 4.315 31.073 ( -11.711 -12.252 -10.731) 20.060 ======================= Grid point 88 (36/108) ======================= q-point: (-0.43 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.609 ( -31.624 7.383 -2.615) 32.580 2.807 ( -9.520 7.167 -16.103) 20.033 2.862 ( -34.899 -0.327 14.869) 37.936 3.372 ( 25.519 -2.946 5.205) 26.210 3.510 ( -4.386 0.223 -3.791) 5.802 3.713 ( 3.001 5.225 -3.532) 6.984 3.763 ( 8.966 5.474 -1.714) 10.644 4.095 ( -0.461 -0.407 10.547) 10.565 4.184 ( -1.762 -6.272 5.756) 8.693 4.241 ( 4.470 -0.828 7.062) 8.399 4.607 ( 9.196 -1.174 -3.900) 10.058 4.645 ( 1.651 -3.712 -6.062) 7.297 4.809 ( -1.928 -1.704 0.945) 2.741 4.887 ( -13.987 2.439 2.093) 14.352 4.952 ( -0.485 -1.925 -2.749) 3.391 5.028 ( -11.521 10.181 1.985) 15.502 5.217 ( 0.565 0.206 -2.732) 2.797 5.300 ( -14.151 10.686 2.614) 17.924 5.533 ( -4.195 1.679 1.200) 4.675 5.623 ( 2.376 -1.032 -0.371) 2.617 5.779 ( -0.560 0.870 3.049) 3.220 5.863 ( 3.537 0.422 0.591) 3.611 5.945 ( -1.182 5.879 4.620) 7.569 5.991 ( -0.232 7.802 8.464) 11.514 6.094 ( 3.513 0.916 8.940) 9.649 6.410 ( 2.162 -4.974 -6.089) 8.154 6.419 ( -6.304 0.187 4.397) 7.688 6.608 ( -1.966 1.612 -1.218) 2.819 6.667 ( 2.804 -3.527 -6.387) 7.816 6.833 ( -18.552 1.920 2.548) 18.824 6.922 ( 1.413 -0.502 -2.361) 2.797 7.058 ( 1.799 2.707 -2.696) 4.222 7.076 ( 1.920 1.918 -0.614) 2.782 7.178 ( -0.921 1.313 -1.721) 2.352 7.349 ( 8.833 -5.261 -1.239) 10.356 7.411 ( -0.364 4.620 3.386) 5.739 7.610 ( 13.599 -0.074 7.392) 15.478 7.691 ( 11.189 5.241 3.662) 12.887 7.910 ( -1.120 3.059 -5.409) 6.314 8.069 ( 2.676 -9.745 -11.512) 15.318 8.143 ( 0.945 0.816 -4.812) 4.972 8.402 ( 9.505 0.610 -0.668) 9.548 8.588 ( 9.341 -1.977 -2.851) 9.965 8.945 ( -4.589 3.853 4.898) 7.739 9.319 ( 2.826 -0.838 -11.024) 11.412 9.515 ( -1.424 17.104 -3.334) 17.484 9.883 ( -0.183 9.769 0.224) 9.773 10.192 ( 2.947 0.174 -2.544) 3.897 10.818 ( -1.829 -5.409 9.891) 11.421 11.342 ( -2.485 -1.403 -2.957) 4.109 11.585 ( -0.676 -7.132 -6.027) 9.362 11.817 ( -0.649 -0.064 -0.058) 0.655 12.526 ( 2.067 -1.241 2.480) 3.459 12.767 ( -1.367 6.021 -4.424) 7.595 13.054 ( 0.571 0.712 -2.252) 2.430 13.214 ( -0.351 -4.264 2.908) 5.174 13.527 ( -1.056 2.015 6.867) 7.234 13.858 ( -0.320 -9.061 -2.562) 9.422 14.098 ( -1.185 -7.824 8.410) 11.548 14.348 ( -3.506 -12.781 -1.838) 13.380 14.774 ( 4.291 -0.692 3.282) 5.446 15.113 ( -3.507 11.583 -8.375) 14.718 15.233 ( 1.914 -10.303 11.253) 15.376 15.488 ( 4.974 4.010 4.710) 7.938 16.005 ( -0.133 -9.705 -8.229) 12.725 16.336 ( 0.175 -5.008 -1.724) 5.299 16.553 ( 1.147 6.624 -4.534) 8.109 16.760 ( -0.044 -1.147 -0.781) 1.388 16.958 ( 0.966 -4.781 1.800) 5.199 17.183 ( -0.548 -0.472 -0.567) 0.919 20.549 ( -0.345 -13.718 -0.555) 13.734 20.974 ( 3.251 1.701 0.866) 3.770 21.153 ( -1.201 -1.458 -6.261) 6.540 21.315 ( 3.332 13.893 -0.550) 14.298 22.362 ( -1.465 3.471 7.605) 8.487 22.630 ( -1.964 13.433 -2.327) 13.774 23.491 ( -0.700 2.469 4.312) 5.018 23.871 ( -0.854 0.211 16.281) 16.304 24.145 ( 0.052 8.078 -8.066) 11.416 24.745 ( 2.549 -1.816 0.563) 3.180 26.090 ( -0.021 -10.717 -0.195) 10.719 26.153 ( 3.277 -5.885 3.111) 7.420 26.446 ( 0.668 5.553 5.045) 7.532 26.846 ( 0.021 4.141 -2.264) 4.720 26.993 ( 0.244 3.565 3.799) 5.215 27.120 ( 0.765 12.772 -0.372) 12.800 27.500 ( -0.068 4.351 -5.727) 7.193 27.537 ( -1.179 9.582 -3.533) 10.280 27.788 ( 2.103 8.475 3.411) 9.375 27.885 ( -0.420 7.971 8.805) 11.885 28.002 ( 2.912 -0.309 -0.271) 2.941 28.705 ( -1.694 -1.949 -7.782) 8.199 29.400 ( 0.662 -7.076 15.401) 16.962 30.767 ( -14.040 -14.385 -15.545) 25.411 30.817 ( -3.022 -4.084 0.093) 5.081 30.993 ( 5.961 -9.868 -9.599) 15.002 ======================= Grid point 89 (37/108) ======================= q-point: (-0.29 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( -36.359 11.755 3.242) 38.349 2.081 ( -38.107 1.413 22.259) 44.155 2.654 ( -5.281 8.342 -17.903) 20.445 3.267 ( -11.005 0.646 -13.929) 17.763 3.629 ( -23.739 21.059 19.472) 37.231 3.715 ( -2.149 2.150 5.093) 5.931 3.897 ( 1.939 7.960 -1.695) 8.366 4.036 ( -7.269 -3.523 3.093) 8.650 4.121 ( -2.213 2.132 0.053) 3.074 4.290 ( 4.356 3.191 7.930) 9.594 4.461 ( -4.747 -1.764 2.296) 5.560 4.591 ( -11.929 2.959 -1.343) 12.364 4.741 ( 5.441 1.039 -0.425) 5.556 4.772 ( -1.927 -10.990 -4.147) 11.903 4.919 ( 2.802 1.665 1.330) 3.521 5.003 ( 4.063 2.607 -5.595) 7.390 5.225 ( 2.591 6.395 -7.763) 10.386 5.283 ( 2.719 -5.111 1.375) 5.950 5.387 ( -6.262 -7.262 6.933) 11.833 5.610 ( -1.707 -5.002 -2.195) 5.723 5.768 ( -2.001 1.206 10.740) 10.991 5.781 ( -8.421 4.528 6.267) 11.432 5.870 ( -3.786 3.551 0.854) 5.260 5.994 ( -2.234 4.697 -1.149) 5.326 6.134 ( -0.781 -1.789 7.238) 7.496 6.236 ( -15.401 8.256 2.086) 17.599 6.373 ( -2.060 -1.470 4.346) 5.029 6.428 ( -6.504 2.510 -1.740) 7.186 6.603 ( -1.129 -1.481 -1.304) 2.273 6.762 ( -4.968 -2.206 -1.382) 5.609 6.785 ( -0.655 4.033 -6.830) 7.958 7.034 ( 1.764 -1.211 -4.874) 5.323 7.124 ( -2.976 0.707 0.683) 3.134 7.233 ( 6.131 3.841 -0.459) 7.250 7.482 ( 0.195 -3.770 1.647) 4.119 7.662 ( 7.521 3.040 -9.453) 12.456 7.734 ( 12.918 4.722 -6.465) 15.198 7.908 ( 10.560 -0.155 1.406) 10.655 8.141 ( 16.819 -1.137 9.333) 19.268 8.286 ( 9.695 -3.052 -3.693) 10.814 8.347 ( 23.952 -4.706 2.099) 24.500 8.569 ( 3.821 1.466 -0.994) 4.211 8.726 ( 3.121 2.859 -9.133) 10.066 8.959 ( 6.639 0.915 5.974) 8.977 9.364 ( 1.931 3.811 -4.391) 6.126 9.504 ( 0.559 12.440 -8.012) 14.807 9.910 ( 1.567 8.724 -3.924) 9.693 10.197 ( -2.655 -0.396 0.972) 2.855 10.762 ( -3.428 -4.209 10.359) 11.696 11.279 ( -3.484 -2.056 -4.406) 5.981 11.561 ( -1.581 -6.892 -4.048) 8.147 11.796 ( -1.297 -0.036 -0.204) 1.314 12.539 ( -0.640 -2.241 0.661) 2.422 12.709 ( -3.761 4.367 -3.937) 6.980 13.064 ( 0.310 0.081 -4.023) 4.035 13.212 ( 0.137 -3.461 3.374) 4.836 13.511 ( -0.412 1.490 7.142) 7.308 13.828 ( -2.573 -12.570 -0.974) 12.868 14.072 ( -0.689 -7.536 9.365) 12.040 14.278 ( -2.985 -11.055 -2.150) 11.651 14.862 ( 3.202 0.146 5.479) 6.348 15.103 ( 2.868 11.719 -8.572) 14.800 15.302 ( 4.848 -10.838 13.499) 17.977 15.604 ( 6.399 7.005 1.277) 9.574 16.012 ( 0.881 -9.784 -9.255) 13.497 16.354 ( 1.845 -5.211 -1.558) 5.744 16.580 ( 1.298 6.509 -3.423) 7.468 16.760 ( 0.058 -1.375 -0.874) 1.630 16.982 ( 1.435 -2.449 1.862) 3.394 17.196 ( 2.048 -1.042 0.872) 2.458 20.522 ( -2.364 -15.668 -0.143) 15.847 21.048 ( 3.133 -1.785 -1.708) 3.990 21.152 ( 1.319 1.403 -3.511) 4.004 21.454 ( 11.291 17.650 0.503) 20.959 22.301 ( -4.510 3.966 8.619) 10.505 22.577 ( -3.190 14.447 -2.293) 14.971 23.468 ( -1.430 2.858 4.045) 5.155 23.848 ( -1.429 0.577 14.487) 14.569 24.148 ( 0.189 7.749 -8.449) 11.466 24.777 ( 0.356 -4.218 1.641) 4.540 26.122 ( 3.101 -11.361 -1.593) 11.883 26.236 ( 4.754 -9.908 5.169) 12.144 26.464 ( 1.027 5.795 4.986) 7.713 26.853 ( 0.734 3.393 -1.424) 3.752 26.993 ( -0.308 4.339 3.803) 5.778 27.167 ( 4.461 15.946 -0.366) 16.562 27.476 ( -2.480 7.332 -2.716) 8.203 27.513 ( 0.076 11.302 -6.435) 13.006 27.832 ( 0.744 4.963 12.675) 13.633 27.896 ( 4.659 6.676 2.085) 8.404 28.163 ( 10.368 -0.199 -3.990) 11.111 28.650 ( -3.624 -1.057 -5.286) 6.495 29.331 ( -7.228 -7.188 15.478) 18.533 30.434 ( -17.251 -12.100 -15.868) 26.378 30.771 ( -2.701 -4.316 -0.133) 5.093 31.015 ( -4.943 -12.060 -14.534) 19.522 ======================= Grid point 90 (38/108) ======================= q-point: (-0.14 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( -22.300 17.259 22.011) 35.772 1.435 ( -21.698 17.226 30.009) 40.842 2.598 ( -7.838 10.237 -3.264) 13.300 2.763 ( -36.366 36.072 21.393) 55.510 3.141 ( -1.099 5.394 -15.991) 16.912 3.696 ( -4.501 1.020 3.349) 5.702 3.831 ( -7.087 7.176 -0.756) 10.114 3.895 ( -4.528 2.294 -2.826) 5.809 4.079 ( -6.450 1.569 3.066) 7.312 4.212 ( -5.283 1.284 -6.282) 8.308 4.385 ( 0.213 5.224 4.765) 7.074 4.625 ( 3.417 -9.308 0.461) 9.926 4.668 ( -5.454 -5.599 -1.556) 7.970 4.857 ( 1.499 -1.022 -6.561) 6.807 4.961 ( 0.025 -2.023 1.621) 2.592 5.091 ( 4.958 3.851 -5.575) 8.396 5.254 ( 0.277 -5.990 -0.796) 6.049 5.298 ( -0.669 -2.612 -0.376) 2.723 5.363 ( 1.248 -6.277 8.972) 11.021 5.607 ( 1.209 -9.591 -3.909) 10.427 5.671 ( -4.413 2.806 4.169) 6.688 5.726 ( -2.987 0.293 3.616) 4.699 5.759 ( -2.713 1.732 -2.203) 3.901 5.848 ( -1.170 2.796 2.616) 4.004 6.072 ( -1.283 9.183 -6.850) 11.528 6.149 ( -2.726 -2.710 11.084) 11.732 6.331 ( -2.454 -1.227 -0.344) 2.765 6.383 ( 0.563 0.664 2.591) 2.733 6.536 ( -7.110 2.263 5.918) 9.524 6.682 ( 9.388 7.008 0.133) 11.716 6.933 ( 5.363 4.221 -4.973) 8.445 7.092 ( 0.286 2.486 -0.356) 2.527 7.108 ( 6.342 -1.185 -6.863) 9.419 7.321 ( 1.026 3.099 -3.832) 5.034 7.456 ( 0.275 -1.919 4.993) 5.356 7.633 ( -0.622 4.125 -1.974) 4.615 8.127 ( 15.060 0.733 -3.205) 15.415 8.214 ( 15.478 3.358 -1.442) 15.903 8.312 ( 2.983 0.228 5.597) 6.346 8.445 ( 6.194 -0.037 0.616) 6.225 8.569 ( 1.572 0.044 -2.106) 2.628 8.733 ( 1.075 -3.986 -6.125) 7.387 8.836 ( 8.069 -2.238 -4.393) 9.456 9.049 ( 1.582 0.109 7.322) 7.491 9.418 ( 3.443 10.005 1.867) 10.744 9.525 ( 0.357 3.134 -12.302) 12.700 9.888 ( -3.893 7.919 -3.820) 9.616 10.111 ( -4.333 -0.138 2.019) 4.782 10.695 ( -2.801 -2.795 9.121) 9.942 11.209 ( -3.013 -2.787 -7.001) 8.116 11.527 ( -1.370 -4.654 1.418) 5.055 11.781 ( 0.035 -0.496 -2.381) 2.433 12.509 ( -2.043 -3.137 -0.871) 3.844 12.636 ( -2.908 2.249 -3.806) 5.291 13.058 ( -1.041 -0.888 -5.331) 5.504 13.217 ( 0.267 -1.505 2.241) 2.713 13.514 ( 0.651 -0.881 8.481) 8.552 13.774 ( -1.964 -13.171 -1.311) 13.381 14.087 ( 1.933 -12.412 9.376) 15.675 14.240 ( -0.565 -8.082 0.723) 8.134 14.879 ( -1.432 1.795 7.509) 7.852 15.193 ( 4.332 3.151 -3.436) 6.364 15.412 ( 4.586 -4.854 11.337) 13.157 15.768 ( 10.247 10.250 -7.046) 16.115 16.038 ( 1.592 -7.667 -9.081) 11.990 16.416 ( 4.063 -4.156 -0.525) 5.836 16.600 ( 0.602 5.945 -2.882) 6.634 16.763 ( 0.147 -1.577 -1.440) 2.140 17.015 ( 1.580 -0.741 1.381) 2.225 17.278 ( 6.273 -3.751 4.187) 8.424 20.450 ( -4.747 -15.302 0.392) 16.026 21.065 ( -1.193 -6.334 -10.036) 11.927 21.213 ( 4.013 4.106 6.300) 8.523 21.809 ( 22.604 19.381 -4.261) 30.079 22.190 ( -5.519 5.531 11.810) 14.161 22.521 ( -0.872 13.303 -0.172) 13.333 23.439 ( -1.291 4.361 3.399) 5.678 23.816 ( -1.683 1.065 12.885) 13.038 24.145 ( -0.681 6.205 -9.490) 11.359 24.754 ( -2.514 -6.029 -0.108) 6.533 26.189 ( 2.543 -12.615 0.605) 12.883 26.324 ( 2.390 -17.063 3.840) 17.652 26.488 ( 1.589 4.532 4.477) 6.566 26.876 ( 1.320 2.077 -0.142) 2.465 26.982 ( -0.669 3.897 3.633) 5.370 27.295 ( 5.341 16.128 -8.381) 18.944 27.460 ( 3.384 15.403 4.213) 16.323 27.559 ( 4.748 13.239 -8.031) 16.197 27.864 ( 4.878 4.948 13.926) 15.563 28.036 ( 7.799 3.173 2.409) 8.758 28.363 ( 7.456 -3.154 -3.693) 8.898 28.553 ( -5.834 -0.216 -3.725) 6.925 29.143 ( -9.747 -4.957 14.088) 17.834 30.061 ( -20.437 -14.004 -21.318) 32.684 30.662 ( -11.500 -6.114 -4.591) 13.810 30.816 ( -8.796 -3.085 -4.186) 10.218 ======================= Grid point 91 (39/108) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( 8.309 30.057 23.503) 39.049 1.994 ( 15.433 39.306 14.403) 44.616 2.746 ( 4.550 2.673 -9.295) 10.689 3.092 ( -12.502 52.237 23.921) 58.799 3.235 ( 2.322 2.680 1.195) 3.741 3.722 ( -1.535 4.163 1.754) 4.771 3.801 ( -2.750 0.843 -0.315) 2.894 3.990 ( 0.032 -5.846 1.207) 5.970 4.054 ( -6.081 9.273 -8.462) 13.948 4.176 ( 7.142 5.248 -1.882) 9.060 4.433 ( -4.558 -0.166 -3.122) 5.527 4.508 ( 2.939 -3.202 1.927) 4.754 4.540 ( 3.609 -4.221 -3.373) 6.498 4.765 ( -1.182 -6.360 0.410) 6.482 4.907 ( 0.170 -3.006 -7.574) 8.150 5.074 ( -4.163 -3.763 5.635) 7.953 5.184 ( -3.097 8.911 0.599) 9.453 5.231 ( -3.073 -5.122 -4.604) 7.542 5.325 ( 4.982 -7.560 -0.300) 9.059 5.504 ( -5.397 1.539 -14.006) 15.088 5.613 ( -3.045 -6.096 5.135) 8.533 5.683 ( 1.110 6.605 1.742) 6.920 5.739 ( -1.086 3.462 -4.734) 5.965 5.848 ( 2.985 1.575 2.748) 4.353 6.037 ( -2.787 -1.993 2.283) 4.117 6.226 ( -0.500 -6.082 0.045) 6.103 6.264 ( 2.376 -3.459 4.912) 6.460 6.355 ( 2.720 9.835 -7.877) 12.891 6.691 ( 0.753 12.505 7.842) 14.780 6.813 ( -1.033 -5.235 -5.585) 7.724 7.021 ( 2.610 -0.482 -1.703) 3.153 7.090 ( 4.722 -2.353 -2.234) 5.729 7.199 ( -9.188 -2.595 0.361) 9.554 7.361 ( -0.302 -0.409 0.239) 0.562 7.536 ( 2.335 4.527 2.045) 5.489 7.729 ( 1.153 2.154 0.582) 2.512 8.200 ( -2.144 1.878 -2.177) 3.586 8.393 ( -0.516 0.585 -6.838) 6.882 8.495 ( -7.191 2.664 1.757) 7.868 8.581 ( 7.873 -0.238 -0.244) 7.880 8.655 ( 1.737 10.359 1.001) 10.551 8.777 ( 8.343 8.323 3.171) 12.204 8.850 ( -6.735 0.653 3.560) 7.646 9.088 ( 2.473 -0.802 10.106) 10.435 9.478 ( -8.007 3.676 -16.835) 19.001 9.728 ( 4.975 9.022 1.366) 10.393 10.004 ( -0.412 9.251 0.396) 9.269 10.099 ( 1.519 1.765 -2.616) 3.502 10.597 ( -1.114 -2.530 6.355) 6.931 11.114 ( 0.140 -2.281 -10.314) 10.564 11.475 ( 1.527 -3.562 6.737) 7.772 11.707 ( -0.581 -3.687 4.346) 5.729 12.483 ( 0.107 3.800 -6.275) 7.337 12.601 ( -1.964 0.632 -7.494) 7.773 12.968 ( -2.674 -4.624 -4.114) 6.742 13.206 ( 2.145 -4.012 -2.601) 5.240 13.309 ( -0.772 -17.231 2.938) 17.497 13.600 ( 3.691 -4.291 -1.541) 5.866 13.932 ( -0.902 -4.608 7.860) 9.155 14.122 ( 1.290 -6.307 6.197) 8.936 14.771 ( -2.621 -11.684 8.668) 14.783 14.954 ( -0.490 -16.727 12.288) 20.761 15.473 ( -1.223 -1.128 0.671) 1.794 15.899 ( 0.021 -7.468 -9.339) 11.958 15.994 ( 4.103 -3.878 -10.459) 11.886 16.364 ( 0.196 -4.602 -4.204) 6.236 16.685 ( 0.191 0.082 -1.086) 1.105 16.744 ( -0.547 2.098 3.386) 4.021 17.027 ( -3.942 1.572 -1.588) 4.531 17.282 ( 2.862 -4.781 3.307) 6.480 20.294 ( 0.229 4.495 1.478) 4.737 20.988 ( -0.741 2.147 -15.980) 16.141 21.369 ( -0.488 6.919 13.056) 14.784 22.110 ( -5.207 0.964 7.502) 9.183 22.245 ( 7.373 -8.118 -1.098) 11.021 22.832 ( 0.449 13.350 -8.095) 15.619 23.573 ( 1.449 4.930 1.692) 5.410 23.842 ( -1.853 5.241 11.331) 12.621 24.207 ( -1.284 4.117 -14.446) 15.076 24.623 ( -1.825 0.193 0.990) 2.085 25.955 ( -2.236 -8.148 1.993) 8.681 26.016 ( -0.035 -12.675 -0.998) 12.715 26.609 ( -0.406 7.165 5.988) 9.346 26.929 ( 0.538 2.370 -0.250) 2.443 27.031 ( -1.471 3.573 6.080) 7.204 27.560 ( -0.028 10.225 -10.318) 14.526 27.758 ( -7.423 12.917 -0.072) 14.898 27.970 ( 3.340 11.514 -3.734) 12.557 28.104 ( 1.896 7.984 3.280) 8.837 28.167 ( -2.546 -0.035 3.988) 4.732 28.325 ( 6.458 1.205 0.299) 6.576 28.476 ( 1.292 -2.959 -3.257) 4.586 28.916 ( -7.670 -3.138 8.749) 12.051 29.609 ( 6.020 -13.317 -8.540) 16.926 30.586 ( 4.956 1.476 1.946) 5.525 30.682 ( -1.111 -3.775 0.107) 3.937 ======================= Grid point 92 (40/108) ======================= q-point: ( 0.14 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( 3.231 37.499 16.893) 41.255 2.229 ( 22.104 24.906 21.953) 39.885 2.892 ( 10.090 -2.993 -5.665) 11.952 3.281 ( 2.426 8.371 -8.216) 11.977 3.390 ( 33.565 42.388 19.344) 57.424 3.696 ( 1.230 0.874 -3.121) 3.467 3.809 ( 1.407 1.690 -2.019) 2.985 3.960 ( -0.727 9.269 2.186) 9.550 4.049 ( 4.904 -8.983 2.165) 10.461 4.269 ( -4.350 -0.814 1.167) 4.577 4.445 ( 8.901 2.359 -3.743) 9.940 4.568 ( 1.062 -1.559 -1.483) 2.400 4.592 ( 1.149 -5.190 1.317) 5.477 4.807 ( 5.166 -3.241 -1.253) 6.226 4.906 ( -2.274 1.090 -7.939) 8.330 4.965 ( -5.305 -4.175 2.238) 7.112 5.138 ( -1.546 2.559 -1.950) 3.570 5.224 ( 6.100 -0.947 -2.515) 6.665 5.347 ( -3.699 -8.299 -4.156) 9.991 5.468 ( 5.896 -6.800 0.225) 9.003 5.646 ( 2.372 -1.127 3.594) 4.451 5.700 ( -0.231 6.103 -3.660) 7.120 5.713 ( 1.648 6.482 0.537) 6.710 5.920 ( 2.359 3.211 1.344) 4.205 5.948 ( -5.196 -0.998 -0.548) 5.319 6.252 ( 1.503 -1.473 -5.561) 5.945 6.328 ( 4.384 -0.428 6.724) 8.039 6.360 ( -1.329 12.114 -4.470) 12.981 6.719 ( 0.172 7.139 6.668) 9.770 6.768 ( -1.148 -2.343 -1.120) 2.839 6.923 ( -10.613 -2.407 -4.606) 11.817 7.052 ( 1.134 5.988 2.083) 6.441 7.233 ( 5.054 -1.509 -4.142) 6.706 7.355 ( 1.415 0.663 2.702) 3.121 7.499 ( -4.126 1.038 1.545) 4.526 7.751 ( -0.531 0.390 1.577) 1.709 8.117 ( -6.763 2.041 -0.922) 7.124 8.279 ( -11.581 -1.914 -6.182) 13.266 8.325 ( -6.131 2.076 -1.521) 6.649 8.546 ( -9.010 7.587 -0.035) 11.779 8.598 ( -14.786 3.123 3.554) 15.525 8.680 ( -3.713 1.976 3.353) 5.379 8.872 ( -1.001 4.651 2.743) 5.491 9.148 ( 1.602 -4.359 7.917) 9.178 9.303 ( -7.845 2.947 -15.477) 17.600 9.857 ( 4.766 9.769 -5.501) 12.183 10.034 ( 3.420 10.996 -0.097) 11.516 10.160 ( 3.913 4.376 -1.724) 6.118 10.607 ( 2.236 -3.715 6.608) 7.903 11.150 ( 3.214 -3.689 -9.975) 11.110 11.512 ( 1.798 -3.429 7.549) 8.484 11.704 ( 0.479 -3.244 4.343) 5.442 12.482 ( -0.195 7.274 -7.005) 10.101 12.619 ( 3.769 -0.022 -5.240) 6.454 12.937 ( -0.170 -6.010 -4.333) 7.411 13.217 ( -1.299 -2.784 1.909) 3.617 13.336 ( 3.509 -17.196 -1.344) 17.602 13.681 ( 3.591 -4.574 -3.346) 6.709 13.898 ( -2.039 -4.006 10.933) 11.821 14.155 ( 1.704 -7.708 6.029) 9.934 14.710 ( -2.854 -9.277 6.336) 11.591 14.949 ( -0.091 -15.318 12.672) 19.881 15.440 ( -1.809 -0.403 -0.351) 1.887 15.875 ( -4.070 -10.746 -8.292) 14.170 15.896 ( -10.014 -1.381 -8.204) 13.019 16.346 ( -1.520 -2.054 -3.406) 4.258 16.690 ( 0.120 1.356 -1.277) 1.867 16.730 ( -0.836 1.108 4.104) 4.332 16.926 ( -4.624 1.425 -2.150) 5.294 17.289 ( -2.018 -5.067 2.486) 5.994 20.331 ( 2.690 3.429 0.474) 4.384 20.973 ( -0.536 3.841 -14.288) 14.805 21.327 ( -3.414 4.342 10.355) 11.736 21.968 ( -8.784 9.589 0.356) 13.009 22.290 ( -0.874 -9.255 6.096) 11.117 22.868 ( 2.407 10.732 -8.592) 13.957 23.560 ( -1.566 6.052 2.494) 6.730 23.841 ( 1.512 1.806 17.321) 17.480 24.222 ( 2.290 5.277 -15.162) 16.217 24.616 ( 0.981 1.408 -0.102) 1.720 25.922 ( -0.362 -6.345 -0.004) 6.355 26.001 ( -1.473 -11.255 0.457) 11.361 26.599 ( -0.577 7.715 5.963) 9.768 26.934 ( -0.063 2.425 -0.460) 2.469 27.009 ( -0.537 2.786 5.256) 5.973 27.549 ( -6.557 15.672 -6.191) 18.081 27.562 ( -2.529 8.282 -4.570) 9.792 27.983 ( -1.537 9.029 5.935) 10.914 28.071 ( -2.515 14.018 0.631) 14.255 28.128 ( -3.454 6.511 2.796) 7.883 28.380 ( -3.166 -2.897 -1.258) 4.472 28.561 ( 5.020 1.160 -4.467) 6.819 28.835 ( 3.045 -5.818 6.338) 9.126 29.857 ( 14.378 -20.202 -8.372) 26.171 30.680 ( 1.130 -4.521 0.223) 4.666 30.783 ( 10.729 -7.087 0.039) 12.859 ======================= Grid point 93 (41/108) ======================= q-point: ( 0.29 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( 14.351 24.325 12.927) 31.060 2.749 ( 25.757 17.198 12.188) 33.283 3.110 ( 10.388 4.276 -2.382) 11.483 3.363 ( 7.038 1.628 -11.388) 13.487 3.668 ( 0.547 -1.557 -2.180) 2.734 3.743 ( -5.618 5.664 -3.101) 8.559 3.936 ( 2.527 2.660 8.604) 9.353 4.015 ( -2.843 -0.190 3.372) 4.414 4.177 ( -1.506 7.225 1.009) 7.449 4.355 ( 17.714 7.065 1.853) 19.161 4.420 ( -1.787 4.458 6.994) 8.484 4.582 ( 4.001 3.543 1.715) 5.612 4.692 ( 1.601 -1.333 -1.074) 2.344 4.795 ( 4.657 -1.592 5.227) 7.179 4.907 ( -0.809 -4.606 -7.537) 8.870 4.971 ( 8.391 -3.184 -7.747) 11.856 5.097 ( -3.486 -1.222 1.176) 3.876 5.333 ( 3.905 -6.544 0.621) 7.646 5.482 ( 9.656 4.367 2.839) 10.971 5.577 ( 7.546 -2.759 1.212) 8.126 5.611 ( -3.009 1.713 -5.595) 6.580 5.718 ( 2.918 0.443 0.511) 2.996 5.851 ( 11.228 2.182 1.052) 11.486 5.927 ( -0.573 3.107 0.425) 3.188 6.009 ( 10.863 6.231 0.588) 12.537 6.244 ( 0.238 -3.508 -3.164) 4.730 6.321 ( -0.609 14.021 2.285) 14.219 6.486 ( 7.054 1.620 1.833) 7.466 6.694 ( -5.374 -1.716 -4.092) 6.969 6.722 ( 2.698 6.414 -2.319) 7.335 6.868 ( 4.615 -3.717 0.100) 5.926 7.137 ( 3.865 8.316 3.677) 9.880 7.258 ( -2.764 0.523 -0.608) 2.878 7.373 ( -1.368 3.413 5.325) 6.471 7.439 ( -0.671 -5.426 4.159) 6.869 7.738 ( 0.039 -0.266 -5.676) 5.683 7.863 ( -20.440 2.051 -5.659) 21.308 7.975 ( -13.801 2.372 5.162) 14.925 8.171 ( -11.357 0.387 1.232) 11.430 8.263 ( -14.080 12.815 -7.310) 20.394 8.357 ( -10.807 -2.175 -0.309) 11.028 8.527 ( -9.208 0.159 3.533) 9.864 8.745 ( -10.685 -1.005 4.606) 11.678 9.157 ( -0.364 0.725 7.117) 7.163 9.178 ( -3.129 2.389 -15.824) 16.307 9.880 ( -1.300 10.676 -11.261) 15.572 10.107 ( 3.106 8.631 -4.182) 10.082 10.232 ( 1.845 11.178 1.916) 11.491 10.669 ( 3.128 -4.579 6.001) 8.171 11.224 ( 3.325 -5.204 -9.758) 11.548 11.536 ( 0.449 -2.366 8.332) 8.673 11.729 ( 1.734 -3.787 4.752) 6.319 12.495 ( 1.834 8.429 -3.813) 9.431 12.728 ( 6.167 0.642 -4.432) 7.622 12.956 ( 1.831 -5.599 -3.693) 6.952 13.180 ( -1.957 -4.886 2.449) 5.805 13.419 ( 3.945 -12.830 -1.977) 13.568 13.723 ( 0.767 -3.540 -6.254) 7.227 13.880 ( 0.393 -5.257 13.943) 14.906 14.181 ( 0.557 -9.132 5.277) 10.562 14.672 ( -0.734 -7.230 4.117) 8.352 14.943 ( -0.635 -14.276 12.476) 18.970 15.405 ( -1.585 -1.050 -0.315) 1.927 15.618 ( -12.122 -1.324 -4.997) 13.178 15.841 ( -2.013 -8.683 -8.823) 12.541 16.304 ( -2.410 -2.038 -3.566) 4.762 16.681 ( -0.815 5.172 0.112) 5.237 16.720 ( -0.052 -2.448 2.527) 3.519 16.866 ( -1.361 -0.386 -2.768) 3.109 17.221 ( -4.104 -5.968 1.805) 7.464 20.378 ( 1.647 1.583 0.256) 2.299 20.967 ( -0.082 3.723 -13.033) 13.555 21.250 ( -3.587 3.816 6.541) 8.380 21.781 ( -8.647 14.999 -2.059) 17.435 22.274 ( -0.303 -10.153 8.337) 13.141 22.916 ( 2.254 11.488 -9.574) 15.124 23.545 ( -0.050 3.816 6.041) 7.145 23.875 ( 1.547 1.615 19.006) 19.137 24.272 ( 2.233 6.324 -14.140) 15.650 24.654 ( 2.620 3.048 0.802) 4.099 25.924 ( -0.436 -8.563 -0.269) 8.578 25.972 ( -0.559 -7.959 0.459) 7.992 26.589 ( -0.384 8.340 6.082) 10.329 26.927 ( -0.606 2.299 -0.617) 2.456 27.009 ( 0.479 2.112 5.072) 5.515 27.446 ( -1.994 16.008 -1.257) 16.181 27.548 ( -0.821 5.935 -7.074) 9.270 27.938 ( -2.977 9.544 1.522) 10.113 27.979 ( -4.899 16.994 2.954) 17.931 28.078 ( -0.846 9.321 2.130) 9.599 28.268 ( -6.935 0.062 1.921) 7.196 28.634 ( 2.693 -0.325 -6.076) 6.654 28.985 ( 9.115 -8.076 7.043) 14.068 30.131 ( 12.108 -24.156 -10.889) 29.132 30.707 ( 1.298 -5.525 0.707) 5.719 30.921 ( 2.086 -10.494 -2.220) 10.927 ======================= Grid point 94 (42/108) ======================= q-point: ( 0.43 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.643 ( 15.220 2.313 2.420) 15.584 3.083 ( 5.173 10.842 -9.920) 15.579 3.363 ( 7.589 14.753 6.531) 17.830 3.482 ( -13.598 -4.014 2.537) 14.403 3.575 ( 4.824 2.666 1.521) 5.718 3.598 ( -1.376 11.298 -0.407) 11.388 3.823 ( -4.609 -2.316 -4.098) 6.587 4.037 ( 3.653 -0.666 6.587) 7.562 4.138 ( -3.825 6.678 4.531) 8.930 4.215 ( -5.613 -2.412 8.635) 10.578 4.495 ( 1.473 -1.397 -6.347) 6.663 4.566 ( -2.557 4.284 -4.773) 6.905 4.769 ( -1.482 -6.340 3.318) 7.307 4.823 ( -0.720 -5.278 -1.680) 5.586 5.032 ( -2.011 0.205 2.966) 3.589 5.154 ( 11.809 3.558 -6.688) 14.030 5.282 ( -4.257 -1.224 4.348) 6.207 5.387 ( 23.358 3.719 -6.128) 24.433 5.583 ( 1.960 3.137 8.306) 9.093 5.623 ( 3.685 -2.568 -4.721) 6.516 5.730 ( 5.730 -4.402 -0.480) 7.242 5.860 ( -0.806 1.163 -4.120) 4.356 5.959 ( 12.698 4.594 4.491) 14.231 5.999 ( 0.562 3.186 9.613) 10.143 6.168 ( 0.489 1.403 -2.682) 3.066 6.364 ( 9.677 -2.273 -2.349) 10.214 6.428 ( 9.233 8.131 2.241) 12.505 6.485 ( -0.811 2.970 -0.287) 3.093 6.751 ( 7.007 6.209 -0.301) 9.367 6.849 ( 8.044 10.313 -0.570) 13.092 6.958 ( 0.144 -6.791 0.592) 6.819 7.091 ( 1.162 3.043 2.164) 3.911 7.177 ( -11.073 1.415 -0.965) 11.205 7.295 ( -12.770 5.315 -1.096) 13.875 7.395 ( -5.286 1.113 2.811) 6.089 7.424 ( -4.254 -0.998 11.459) 12.264 7.666 ( -11.884 2.805 3.165) 12.614 7.781 ( -5.373 4.766 2.850) 7.727 8.031 ( -8.570 5.704 -10.786) 14.910 8.032 ( -2.186 -0.007 -11.056) 11.270 8.197 ( 0.955 2.752 -0.687) 2.993 8.337 ( -9.115 -1.362 0.061) 9.216 8.515 ( -8.332 -3.611 7.543) 11.805 9.099 ( -1.961 4.495 -0.316) 4.914 9.245 ( 5.489 3.305 -10.915) 12.657 9.847 ( -1.094 11.889 -12.842) 17.535 10.169 ( 2.586 4.837 -3.949) 6.759 10.210 ( -3.028 15.699 2.827) 16.236 10.713 ( 0.984 -4.842 4.814) 6.898 11.264 ( 0.531 -5.820 -9.689) 11.315 11.531 ( -0.851 -1.870 7.538) 7.813 11.760 ( 0.973 -4.011 5.679) 7.020 12.547 ( 2.684 8.058 -0.430) 8.504 12.831 ( 3.000 0.740 -3.879) 4.959 13.003 ( 2.604 -3.828 -2.813) 5.417 13.144 ( -1.463 -4.755 1.498) 5.196 13.477 ( 1.515 -10.060 -1.830) 10.337 13.728 ( -0.529 -3.715 -5.440) 6.609 13.901 ( 1.736 -6.906 11.685) 13.684 14.169 ( -1.675 -9.765 3.763) 10.598 14.682 ( 1.631 -5.712 5.517) 8.107 14.927 ( -0.589 -14.477 12.035) 18.835 15.336 ( -5.800 -6.726 -1.815) 9.065 15.484 ( -0.193 5.363 -4.205) 6.818 15.804 ( -1.549 -9.663 -8.435) 12.920 16.259 ( -1.837 -3.206 -3.890) 5.365 16.673 ( 0.160 5.592 -0.206) 5.598 16.721 ( 0.151 -2.698 2.498) 3.680 16.863 ( 0.901 -1.610 -2.559) 3.155 17.143 ( -3.152 -6.998 1.145) 7.760 20.396 ( 0.241 0.474 0.749) 0.918 20.967 ( 0.075 1.188 -12.999) 13.054 21.204 ( -0.590 6.611 4.910) 8.256 21.646 ( -4.243 15.180 -2.512) 15.961 22.274 ( 0.082 -10.032 8.309) 13.026 22.953 ( 1.187 11.689 -10.196) 15.556 23.544 ( -0.248 2.705 7.485) 7.963 23.899 ( 0.739 2.372 18.644) 18.809 24.304 ( 0.893 7.196 -12.934) 14.828 24.712 ( 2.707 3.458 2.269) 4.943 25.896 ( -1.566 -9.726 1.161) 9.920 25.985 ( 1.279 -6.399 -0.585) 6.552 26.585 ( 0.041 8.586 6.235) 10.612 26.912 ( -0.693 2.093 -0.694) 2.312 27.027 ( 1.267 2.134 5.709) 6.225 27.434 ( -0.245 17.181 -1.881) 17.285 27.542 ( 1.005 3.034 -4.404) 5.441 27.853 ( -3.753 14.777 -3.631) 15.672 27.950 ( 0.755 8.982 1.866) 9.205 28.069 ( -1.103 8.384 -0.057) 8.457 28.132 ( -4.960 8.258 7.014) 11.916 28.669 ( 0.654 -1.568 -6.212) 6.440 29.147 ( 6.034 -9.782 9.680) 15.027 30.316 ( 4.987 -28.678 -14.669) 32.596 30.724 ( 0.283 -5.872 1.214) 6.003 30.898 ( -2.846 -6.372 -1.973) 7.252 ======================= Grid point 95 (43/108) ======================= q-point: (-0.43 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.647 ( -18.690 -5.616 -1.218) 19.554 2.925 ( -28.157 13.333 7.600) 32.068 3.000 ( -8.628 10.917 -12.663) 18.814 3.544 ( 8.888 7.571 0.206) 11.677 3.564 ( -5.036 11.298 1.369) 12.445 3.809 ( 11.144 2.932 -0.083) 11.524 3.846 ( 4.742 2.155 -2.244) 5.672 4.077 ( -2.224 -1.775 3.941) 4.861 4.101 ( 3.784 0.692 7.206) 8.169 4.212 ( 4.404 -0.530 6.466) 7.841 4.503 ( -0.092 -7.425 -9.067) 11.719 4.625 ( 7.817 3.752 4.388) 9.717 4.724 ( -1.058 -7.272 1.035) 7.421 4.855 ( 0.503 -3.889 1.914) 4.364 4.984 ( -3.583 5.755 0.112) 6.781 5.162 ( -4.351 -1.268 -1.559) 4.792 5.281 ( -0.139 7.345 -7.087) 10.208 5.456 ( -8.947 -9.136 2.377) 13.007 5.557 ( -6.954 3.363 -8.598) 11.559 5.661 ( -11.462 10.693 2.058) 15.809 5.815 ( -2.818 0.023 1.643) 3.262 5.850 ( 5.508 0.138 1.652) 5.752 5.992 ( 2.128 -1.293 11.785) 12.045 6.081 ( -3.865 4.660 9.175) 10.992 6.117 ( -1.632 -6.173 -3.811) 7.436 6.367 ( -4.033 4.904 0.584) 6.376 6.513 ( 1.105 1.880 -0.420) 2.220 6.626 ( 3.360 7.989 -1.888) 8.870 6.751 ( -1.266 7.976 5.224) 9.618 6.810 ( -7.825 -5.644 -1.167) 9.718 6.941 ( -7.183 7.974 0.761) 10.759 7.105 ( -5.763 3.153 3.063) 7.249 7.132 ( -0.383 0.105 -2.971) 2.997 7.240 ( -0.920 2.903 1.645) 3.461 7.281 ( 12.833 0.734 -0.014) 12.854 7.505 ( 1.443 2.858 3.292) 4.593 7.593 ( 21.374 1.379 7.792) 22.792 7.808 ( 6.972 5.935 -0.119) 9.157 7.858 ( -9.039 -6.844 -14.081) 18.078 7.974 ( 0.757 1.611 -4.142) 4.508 8.230 ( 2.495 5.543 0.082) 6.079 8.400 ( 11.310 -0.161 -2.142) 11.512 8.546 ( 10.749 -1.732 3.150) 11.334 9.065 ( -2.182 7.461 -0.024) 7.774 9.344 ( 3.953 3.832 -10.553) 11.902 9.851 ( 0.740 13.354 -11.250) 17.477 10.108 ( -3.834 10.021 -1.289) 10.807 10.239 ( 1.935 6.949 0.062) 7.213 10.709 ( -1.171 -4.376 5.068) 6.797 11.247 ( -1.966 -5.420 -9.525) 11.134 11.509 ( -1.266 -2.047 5.473) 5.979 11.763 ( -0.629 -3.946 6.729) 7.826 12.578 ( -0.186 5.398 -0.137) 5.403 12.833 ( -2.294 0.160 -3.745) 4.395 13.051 ( 1.820 -1.798 -1.894) 3.183 13.126 ( -0.252 -3.635 0.795) 3.730 13.474 ( -1.844 -10.414 -2.511) 10.870 13.684 ( -3.804 -5.434 -1.739) 6.857 13.944 ( 1.666 -5.847 10.206) 11.880 14.128 ( -1.793 -8.403 1.315) 8.692 14.731 ( 2.963 -6.590 8.025) 10.799 14.936 ( 1.536 -16.039 12.575) 20.438 15.252 ( -1.004 -1.376 -5.778) 6.024 15.537 ( 4.242 1.925 -1.358) 4.853 15.781 ( -0.468 -9.611 -9.595) 13.589 16.235 ( -0.300 -4.260 -4.462) 6.177 16.681 ( 0.359 3.546 -1.913) 4.045 16.729 ( 0.709 -0.110 4.350) 4.409 16.900 ( 2.828 -1.490 -2.201) 3.881 17.104 ( -0.547 -7.065 0.899) 7.142 20.392 ( -0.628 0.688 1.062) 1.413 20.972 ( 0.519 -1.415 -13.559) 13.642 21.226 ( 2.515 9.911 5.538) 11.628 21.620 ( 1.892 12.622 -2.815) 13.070 22.272 ( -0.459 -8.508 8.247) 11.858 22.958 ( -0.766 11.914 -10.098) 15.636 23.531 ( -0.999 2.206 7.579) 7.957 23.905 ( -0.129 3.358 17.098) 17.425 24.310 ( -0.216 7.004 -12.130) 14.008 24.751 ( 0.938 2.966 3.615) 4.769 25.878 ( 0.029 -9.232 0.447) 9.243 26.013 ( 1.349 -7.506 0.115) 7.627 26.591 ( 0.516 8.261 6.234) 10.362 26.902 ( -0.262 2.173 -0.498) 2.245 27.056 ( 1.392 2.747 6.586) 7.270 27.431 ( 0.683 15.242 -3.309) 15.612 27.589 ( 2.713 5.109 -2.039) 6.133 27.805 ( -0.945 15.103 -5.514) 16.106 27.967 ( -0.876 0.084 3.620) 3.725 28.015 ( -0.059 11.656 0.640) 11.674 28.126 ( 2.459 13.354 3.720) 14.079 28.663 ( -1.073 -1.551 -5.293) 5.619 29.209 ( -0.272 -11.357 11.220) 15.967 30.291 ( -7.388 -27.954 -16.639) 33.359 30.717 ( -1.071 -5.512 1.281) 5.759 30.859 ( -0.843 -5.326 -2.419) 5.910 ======================= Grid point 96 (44/108) ======================= q-point: (-0.29 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( -25.778 13.203 4.904) 29.375 2.357 ( -25.878 22.403 11.218) 36.020 2.872 ( -6.566 12.067 -9.341) 16.613 3.315 ( -9.513 3.036 -5.358) 11.332 3.724 ( 0.137 2.168 -2.319) 3.178 3.906 ( 1.405 0.389 1.262) 1.928 3.982 ( 1.987 4.697 -0.978) 5.193 4.060 ( 1.570 2.734 3.164) 4.466 4.206 ( 6.484 -0.699 2.237) 6.895 4.314 ( 3.533 -3.511 8.736) 10.056 4.500 ( -7.180 0.995 1.014) 7.319 4.580 ( -19.224 7.183 -0.372) 20.525 4.661 ( -9.759 1.412 0.927) 9.904 4.799 ( 6.240 5.437 2.747) 8.720 4.994 ( 1.950 -3.770 -0.723) 4.305 5.047 ( -3.474 10.217 -1.792) 10.939 5.159 ( -2.241 -6.654 -0.054) 7.022 5.248 ( -10.004 -6.175 1.759) 11.887 5.426 ( -1.004 6.711 -6.879) 9.663 5.530 ( -2.242 6.012 -5.948) 8.749 5.732 ( -4.247 -4.282 4.519) 7.536 5.856 ( -3.793 1.055 3.440) 5.228 5.968 ( -2.777 4.477 4.700) 7.060 6.016 ( -8.344 0.730 0.706) 8.405 6.109 ( 1.097 -4.904 2.046) 5.425 6.181 ( -11.733 -4.542 10.597) 16.450 6.425 ( -5.703 -0.363 0.395) 5.728 6.579 ( -7.609 9.299 -7.858) 14.357 6.660 ( -3.715 2.356 5.694) 7.196 6.746 ( -3.885 8.684 -1.599) 9.646 6.856 ( 4.059 1.719 -1.604) 4.691 6.999 ( 0.723 -2.265 -2.683) 3.585 7.164 ( -1.050 2.719 -1.013) 3.085 7.309 ( 7.196 3.559 3.203) 8.644 7.432 ( 2.506 -0.397 5.048) 5.650 7.675 ( -2.277 -4.622 -9.991) 11.241 7.814 ( 19.638 3.421 -2.687) 20.114 7.929 ( 13.795 4.640 -5.912) 15.709 8.150 ( 13.840 0.871 0.891) 13.896 8.189 ( 18.747 -1.422 1.580) 18.867 8.369 ( 12.499 4.148 5.478) 14.263 8.579 ( 4.730 -0.558 -1.086) 4.885 8.786 ( 8.914 2.332 -2.356) 9.511 9.030 ( 0.799 7.065 2.384) 7.499 9.423 ( 4.584 4.473 -7.606) 9.943 9.818 ( -4.106 13.207 -7.082) 15.538 10.084 ( 0.418 6.371 -6.612) 9.191 10.228 ( -3.490 5.574 1.627) 6.774 10.673 ( -2.161 -3.542 6.746) 7.920 11.196 ( -2.823 -3.933 -9.745) 10.881 11.481 ( -1.379 -2.396 4.777) 5.520 11.742 ( -1.190 -3.930 6.579) 7.755 12.540 ( -2.813 1.628 -2.909) 4.361 12.764 ( -4.140 0.716 -4.882) 6.441 13.066 ( -0.541 -0.492 -2.524) 2.628 13.135 ( 1.103 -3.830 1.748) 4.353 13.410 ( -3.972 -14.446 -2.686) 15.221 13.599 ( -3.694 -5.365 0.235) 6.518 13.951 ( -0.588 -3.826 10.966) 11.630 14.106 ( -0.472 -6.588 1.064) 6.690 14.784 ( 1.890 -10.329 8.654) 13.607 14.967 ( 0.798 -17.369 12.980) 21.698 15.328 ( 8.115 4.655 -5.542) 10.874 15.629 ( 4.720 -3.547 0.303) 5.912 15.801 ( 2.778 -7.160 -11.996) 14.244 16.252 ( 2.081 -4.519 -5.121) 7.140 16.684 ( -0.021 0.850 -1.914) 2.095 16.745 ( 0.625 2.272 4.109) 4.737 16.974 ( 4.183 0.602 -1.550) 4.501 17.123 ( 2.300 -6.110 1.659) 6.736 20.368 ( -1.749 1.843 1.135) 2.783 20.987 ( 0.809 -1.658 -14.905) 15.019 21.289 ( 3.294 10.663 8.431) 13.987 21.732 ( 9.365 8.096 -2.850) 12.703 22.251 ( -1.677 -5.890 8.204) 10.238 22.921 ( -2.684 13.279 -9.232) 16.394 23.514 ( -0.390 1.895 6.614) 6.891 23.896 ( -0.716 4.648 14.417) 15.164 24.295 ( -1.267 5.420 -12.070) 13.292 24.744 ( -1.768 2.000 4.142) 4.928 25.902 ( 2.206 -9.539 -0.592) 9.809 26.035 ( 0.589 -9.581 0.854) 9.637 26.603 ( 0.620 7.581 6.110) 9.756 26.903 ( 0.375 2.371 -0.168) 2.406 27.074 ( 0.157 3.546 6.941) 7.796 27.483 ( 4.419 12.997 -5.215) 14.685 27.631 ( 1.866 8.271 -0.627) 8.502 27.811 ( 1.631 16.020 -6.287) 17.287 27.961 ( 1.339 5.106 10.238) 11.519 28.059 ( 2.996 8.839 0.595) 9.352 28.205 ( 5.060 6.426 -2.054) 8.433 28.627 ( -2.673 -1.004 -4.264) 5.132 29.139 ( -5.990 -11.171 11.085) 16.839 30.057 ( -14.644 -22.393 -15.619) 30.982 30.679 ( -2.825 -4.295 0.199) 5.145 30.825 ( -3.290 -6.970 -3.056) 8.291 ======================= Grid point 97 (45/108) ======================= q-point: (-0.14 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( -3.451 32.285 14.375) 35.509 1.947 ( -12.605 31.347 15.002) 36.967 2.743 ( -4.345 9.547 -9.972) 14.472 3.215 ( -1.112 0.994 0.010) 1.491 3.607 ( -22.320 27.004 14.980) 38.102 3.786 ( -13.302 15.633 3.495) 20.822 3.900 ( -5.925 1.832 1.407) 6.359 4.011 ( -0.581 -1.078 2.529) 2.810 4.035 ( 0.162 4.171 -4.139) 5.879 4.331 ( -13.863 10.407 -6.936) 18.670 4.430 ( 4.219 -6.781 5.720) 9.824 4.450 ( 3.132 -8.684 1.246) 9.315 4.532 ( -2.143 1.097 -4.636) 5.223 4.846 ( -3.023 -2.989 -5.454) 6.915 4.922 ( -3.934 -3.483 0.366) 5.267 5.102 ( 1.117 -5.261 0.081) 5.378 5.168 ( 5.132 -1.061 -3.143) 6.111 5.198 ( 2.369 -5.674 2.117) 6.503 5.426 ( -9.669 4.877 0.962) 10.872 5.473 ( 4.187 8.605 -9.892) 13.763 5.671 ( -1.655 -3.005 2.617) 4.314 5.769 ( -3.770 1.652 6.332) 7.552 5.780 ( -6.609 1.257 -5.145) 8.470 5.892 ( -8.287 1.784 1.122) 8.551 6.086 ( -1.934 -2.170 5.163) 5.925 6.116 ( 5.446 -7.124 3.812) 9.744 6.319 ( -5.444 -1.337 1.338) 5.764 6.406 ( -6.856 9.164 -6.405) 13.115 6.651 ( 1.738 6.239 6.457) 9.145 6.786 ( 5.936 1.007 -6.015) 8.511 6.967 ( 0.313 -6.425 -1.315) 6.566 6.969 ( 4.230 0.199 -0.161) 4.238 7.270 ( 6.827 8.277 -2.723) 11.069 7.354 ( -1.441 -0.108 0.776) 1.640 7.458 ( 1.647 1.629 4.726) 5.263 7.698 ( 2.737 1.944 -2.064) 3.941 8.176 ( 11.177 3.601 -6.813) 13.577 8.268 ( 14.388 1.816 -3.725) 14.973 8.330 ( 6.193 0.868 6.624) 9.109 8.416 ( 10.921 -1.668 -4.469) 11.917 8.629 ( 3.887 5.533 -0.684) 6.797 8.673 ( 7.680 0.735 5.527) 9.491 8.864 ( 0.929 3.735 0.804) 3.932 9.080 ( 1.051 3.238 4.971) 6.025 9.526 ( 3.857 4.819 -10.718) 12.368 9.723 ( -4.006 9.580 -2.588) 10.701 10.059 ( -3.585 8.155 -4.253) 9.872 10.124 ( -4.420 2.174 0.461) 4.947 10.631 ( -1.922 -2.494 7.216) 7.873 11.141 ( -2.382 -2.400 -10.183) 10.730 11.461 ( -0.303 -3.015 5.806) 6.549 11.722 ( -0.808 -3.950 5.179) 6.563 12.494 ( -1.415 0.911 -5.187) 5.453 12.673 ( -4.516 1.317 -6.907) 8.356 13.029 ( -2.864 -2.217 -3.271) 4.880 13.164 ( 1.716 -5.104 -0.635) 5.422 13.341 ( -2.368 -15.831 0.293) 16.010 13.558 ( -0.007 -4.575 -0.400) 4.593 13.940 ( -0.310 -3.666 9.954) 10.612 14.105 ( 0.370 -5.881 3.596) 6.904 14.801 ( -0.302 -12.380 8.971) 15.292 14.966 ( -0.596 -17.306 12.135) 21.145 15.468 ( 2.915 1.647 0.120) 3.350 15.790 ( 12.010 -4.639 -6.789) 14.555 15.871 ( 3.055 -5.462 -10.236) 11.998 16.317 ( 3.782 -4.773 -5.390) 8.132 16.683 ( 0.003 0.136 -1.305) 1.312 16.751 ( -0.056 2.293 3.263) 3.989 17.046 ( 2.021 1.614 -1.732) 3.113 17.195 ( 4.650 -4.592 3.510) 7.418 20.323 ( -2.433 3.352 1.395) 4.371 20.997 ( 0.015 -0.158 -16.207) 16.208 21.348 ( 2.235 9.411 11.820) 15.273 21.988 ( 14.705 -0.837 -0.782) 14.749 22.201 ( -3.240 -1.971 6.835) 7.817 22.861 ( -2.813 14.785 -8.400) 17.236 23.527 ( 1.854 2.760 4.622) 5.694 23.877 ( -1.233 5.919 11.037) 12.584 24.256 ( -2.596 3.703 -13.223) 13.974 24.685 ( -3.660 0.814 3.096) 4.863 25.954 ( 2.309 -10.080 -0.420) 10.350 26.030 ( -1.098 -11.918 0.827) 11.997 26.612 ( 0.166 7.092 6.040) 9.317 26.915 ( 0.712 2.391 -0.033) 2.495 27.061 ( -1.311 3.869 6.726) 7.869 27.554 ( 1.236 9.951 -11.734) 15.435 27.729 ( 7.783 10.574 5.211) 14.126 27.878 ( 4.624 16.317 -7.148) 18.404 28.009 ( 3.734 8.506 11.541) 14.815 28.126 ( 3.574 5.312 1.750) 6.637 28.305 ( 3.236 -1.418 -4.078) 5.395 28.533 ( -6.668 -1.837 -3.323) 7.673 29.019 ( -4.393 -6.767 10.737) 13.430 29.737 ( -15.151 -16.259 -13.821) 26.171 30.601 ( -4.303 -1.250 -0.928) 4.576 30.737 ( -4.206 -4.404 -0.057) 6.090 ======================= Grid point 98 (46/108) ======================= q-point: ( 0.00 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.441 ( 6.652 25.327 18.959) 32.328 2.766 ( 9.290 33.436 2.064) 34.764 2.844 ( -0.512 6.610 -1.478) 6.792 3.283 ( 5.712 2.217 8.262) 10.285 3.687 ( -3.804 0.421 2.637) 4.648 3.786 ( -0.083 0.274 0.931) 0.974 3.824 ( 0.312 -2.445 1.452) 2.861 3.954 ( -6.255 11.790 4.172) 13.983 4.150 ( 0.679 0.436 -4.009) 4.090 4.295 ( -1.685 2.516 -0.681) 3.104 4.418 ( 1.692 -1.555 -3.510) 4.195 4.473 ( -2.834 -3.392 0.216) 4.425 4.519 ( 1.697 1.405 -3.542) 4.171 4.627 ( -3.649 -5.925 4.587) 8.334 4.851 ( 4.230 5.808 -7.717) 10.544 5.057 ( -0.553 -2.980 1.094) 3.222 5.132 ( -2.191 5.308 -2.621) 6.313 5.271 ( -7.310 2.053 -4.498) 8.825 5.351 ( 2.733 6.016 -6.223) 9.077 5.507 ( -6.010 2.881 6.089) 9.027 5.599 ( -0.899 0.680 -1.370) 1.774 5.747 ( 0.558 -2.117 -1.673) 2.755 5.872 ( 0.599 1.274 -2.578) 2.938 5.921 ( -2.904 6.763 -0.190) 7.363 6.048 ( -2.609 5.471 9.700) 11.438 6.098 ( 7.930 -3.143 1.408) 8.645 6.268 ( -0.316 6.454 4.941) 8.135 6.492 ( -1.571 0.536 -11.065) 11.189 6.686 ( -0.098 -4.884 -5.294) 7.203 6.895 ( 5.135 1.400 3.941) 6.623 6.956 ( 8.555 -5.646 -0.441) 10.260 7.083 ( 4.829 4.783 -4.311) 8.049 7.155 ( -15.731 -1.294 3.878) 16.254 7.297 ( -0.079 -1.445 5.860) 6.036 7.667 ( 5.109 3.843 1.982) 6.693 7.745 ( -1.858 0.422 -1.326) 2.321 8.240 ( -2.128 1.647 -3.780) 4.640 8.374 ( -2.363 -2.264 -4.673) 5.705 8.531 ( -5.912 0.994 2.321) 6.428 8.634 ( 8.963 5.365 -4.930) 11.551 8.785 ( 5.884 -1.550 5.581) 8.256 8.908 ( -0.715 12.124 1.810) 12.279 8.999 ( 0.524 9.391 3.899) 10.182 9.118 ( -4.039 3.831 5.244) 7.648 9.581 ( -8.683 6.042 -13.177) 16.898 9.807 ( 6.913 -1.874 -5.958) 9.317 10.109 ( 2.872 -0.515 -2.055) 3.569 10.207 ( -0.343 9.948 -0.452) 9.964 10.621 ( -1.582 5.598 5.224) 7.819 11.133 ( 0.221 4.608 -7.770) 9.036 11.356 ( 0.168 -6.813 6.480) 9.404 11.694 ( 0.493 2.302 5.765) 6.227 12.517 ( 3.110 -1.903 -0.858) 3.746 12.620 ( -3.046 -3.026 -6.760) 8.008 12.743 ( 0.982 -17.176 -5.877) 18.180 13.059 ( -2.598 3.169 -3.806) 5.593 13.146 ( -0.974 -5.819 5.033) 7.755 13.536 ( 2.789 -4.012 -10.659) 11.726 13.813 ( -1.240 -7.919 8.008) 11.331 14.017 ( 1.196 -4.442 6.288) 7.791 14.327 ( -1.316 -25.571 8.569) 27.000 14.685 ( 1.160 -13.839 13.003) 19.025 15.381 ( -0.800 -5.148 -1.033) 5.311 15.786 ( -0.712 -3.225 -7.836) 8.503 15.882 ( 1.103 -6.612 -2.734) 7.240 16.336 ( 2.002 0.286 -8.333) 8.575 16.673 ( 0.090 -0.695 -0.385) 0.800 16.809 ( -0.198 2.498 0.332) 2.528 16.940 ( -2.076 -7.286 5.584) 9.412 17.241 ( 0.946 -0.217 1.187) 1.533 20.535 ( -0.113 17.890 1.674) 17.969 21.092 ( 0.683 7.780 -14.056) 16.080 21.548 ( -2.460 9.840 6.413) 12.000 21.981 ( 1.778 -9.254 8.967) 13.008 22.108 ( 1.115 -7.433 1.607) 7.686 22.939 ( -0.319 -5.128 -17.842) 18.567 23.647 ( 1.905 5.875 12.986) 14.380 23.960 ( -3.101 3.942 8.258) 9.662 24.319 ( 0.626 7.662 -12.463) 14.644 24.679 ( -2.194 3.538 -0.072) 4.164 25.813 ( -1.004 -6.439 -0.703) 6.555 25.828 ( 0.812 -5.528 -0.058) 5.588 26.750 ( 0.127 5.929 4.859) 7.667 26.977 ( 0.336 1.483 0.758) 1.699 27.135 ( -1.552 7.857 6.482) 10.303 27.703 ( -0.522 3.598 -7.093) 7.970 27.989 ( -5.716 9.562 1.974) 11.314 28.140 ( 1.499 6.787 0.583) 6.975 28.170 ( -0.162 0.702 -0.017) 0.721 28.281 ( 5.329 7.075 0.743) 8.889 28.385 ( -0.737 3.358 -2.008) 3.982 28.453 ( 5.125 2.785 -2.656) 6.409 28.850 ( -5.100 -3.249 6.586) 8.941 29.330 ( 1.458 -14.114 -5.449) 15.199 30.592 ( 2.660 -1.004 -0.082) 2.845 30.614 ( -1.116 -2.523 0.287) 2.774 ======================= Grid point 99 (47/108) ======================= q-point: ( 0.14 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.679 ( 14.286 19.364 19.007) 30.664 2.856 ( 0.034 31.228 9.250) 32.570 2.895 ( 7.206 4.223 -2.978) 8.867 3.426 ( 8.015 6.418 1.056) 10.322 3.650 ( -3.959 -3.300 -3.279) 6.109 3.810 ( 2.874 -4.074 4.067) 6.434 3.857 ( 2.517 -2.936 2.890) 4.828 4.059 ( 11.676 9.907 -3.260) 15.656 4.100 ( 0.170 3.881 4.118) 5.661 4.347 ( 5.364 6.832 0.433) 8.697 4.456 ( 0.236 -6.129 2.935) 6.800 4.468 ( 6.155 0.195 -4.195) 7.451 4.628 ( 2.252 -11.578 0.934) 11.832 4.641 ( 7.027 6.110 -6.532) 11.374 4.912 ( 2.677 4.051 -7.993) 9.352 4.995 ( -7.119 -0.654 -1.859) 7.387 5.074 ( -3.736 -2.440 -1.006) 4.574 5.168 ( 1.704 7.761 3.920) 8.860 5.399 ( 1.043 0.339 -6.272) 6.367 5.466 ( 4.319 10.737 -5.258) 12.712 5.672 ( 5.318 2.418 4.794) 7.557 5.768 ( -4.898 -3.409 -3.724) 7.034 5.808 ( 3.628 5.505 5.189) 8.390 5.900 ( -1.008 -2.594 0.517) 2.830 6.023 ( 1.013 5.678 3.902) 6.963 6.237 ( -1.404 1.894 -2.088) 3.149 6.338 ( 11.632 2.994 5.555) 13.233 6.470 ( -1.122 -3.609 -6.492) 7.512 6.698 ( -1.017 -2.508 -1.697) 3.195 6.827 ( -7.996 -0.675 1.240) 8.120 6.945 ( -2.405 6.535 -1.510) 7.126 7.140 ( 8.303 -1.076 6.546) 10.627 7.205 ( 5.327 1.785 -2.088) 5.993 7.325 ( 2.739 -0.272 5.573) 6.216 7.614 ( -7.066 7.784 -3.688) 11.141 7.726 ( -1.331 -3.116 2.175) 4.026 8.153 ( -7.635 0.665 -2.417) 8.036 8.237 ( -10.209 -2.269 -3.890) 11.158 8.348 ( -9.573 0.547 -0.292) 9.593 8.575 ( -11.858 -0.761 2.146) 12.074 8.750 ( -6.527 7.616 3.152) 10.514 8.822 ( -9.895 11.678 -1.828) 15.415 8.950 ( -7.775 2.483 2.571) 8.558 9.143 ( 6.442 4.158 5.389) 9.372 9.407 ( -7.793 6.953 -12.076) 15.966 9.966 ( 6.375 -0.246 -11.703) 13.328 10.204 ( 4.469 2.944 -0.711) 5.399 10.261 ( 6.252 7.877 -0.690) 10.080 10.608 ( 0.854 4.878 5.514) 7.411 11.164 ( 2.656 5.816 -7.951) 10.203 11.378 ( 1.729 -7.874 6.704) 10.485 11.709 ( 0.878 2.712 6.921) 7.485 12.577 ( -0.076 -4.334 -5.750) 7.201 12.602 ( 4.510 -2.007 1.889) 5.285 12.804 ( 4.214 -8.421 -9.658) 13.489 13.018 ( -1.029 -2.995 5.574) 6.410 13.132 ( -0.116 -6.700 -3.837) 7.721 13.599 ( 2.877 -5.896 -11.435) 13.183 13.792 ( -0.647 -6.651 9.906) 11.950 14.040 ( 0.872 -4.489 5.994) 7.539 14.312 ( 0.004 -23.614 8.425) 25.072 14.711 ( 1.159 -12.307 13.263) 18.130 15.369 ( -0.256 -4.500 -0.523) 4.538 15.727 ( -7.480 -1.951 -4.623) 9.007 15.797 ( -5.725 -7.607 -6.467) 11.510 16.347 ( -0.900 0.421 -7.551) 7.616 16.669 ( -0.382 -1.361 -0.720) 1.587 16.805 ( -0.223 3.276 1.341) 3.547 16.863 ( -4.763 -6.424 3.596) 8.768 17.213 ( -3.552 -1.637 1.704) 4.266 20.548 ( 1.074 16.749 0.919) 16.809 21.092 ( -0.743 7.632 -12.905) 15.011 21.475 ( -4.148 9.142 4.533) 11.015 21.983 ( -0.730 -7.624 11.412) 13.743 22.109 ( -1.928 -5.735 -1.754) 6.300 22.944 ( 0.836 -5.492 -16.771) 17.667 23.666 ( -0.352 6.301 9.643) 11.524 23.915 ( -0.439 4.129 14.263) 14.855 24.352 ( 2.331 7.382 -12.460) 14.669 24.673 ( 1.462 3.021 -0.959) 3.491 25.794 ( -0.800 -5.496 -0.392) 5.568 25.838 ( 0.200 -5.530 -0.119) 5.535 26.752 ( 0.029 6.398 5.080) 8.170 26.977 ( -0.379 1.196 0.583) 1.383 27.104 ( -1.356 7.595 5.496) 9.473 27.669 ( -3.073 2.467 -4.802) 6.212 27.825 ( -5.876 11.538 -0.470) 12.957 28.156 ( -1.515 5.866 1.590) 6.264 28.196 ( 1.157 5.143 1.305) 5.430 28.330 ( -1.840 3.868 -3.950) 5.827 28.381 ( 1.337 6.770 0.996) 6.972 28.593 ( 6.131 2.337 -1.701) 6.778 28.746 ( -1.699 -2.364 5.292) 6.040 29.456 ( 8.951 -18.928 -5.638) 21.684 30.602 ( 0.045 -3.160 0.070) 3.161 30.682 ( 5.094 -3.869 0.220) 6.400 ======================= Grid point 100 (48/108) ======================= q-point: ( 0.29 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.744 ( -1.252 17.092 13.442) 21.781 3.084 ( 14.320 16.296 0.241) 21.696 3.162 ( 18.985 4.539 6.857) 20.689 3.514 ( -0.706 6.830 -11.121) 13.070 3.601 ( 2.113 -0.292 -4.401) 4.890 3.822 ( -1.341 1.073 0.047) 1.718 3.928 ( -0.411 -5.929 3.019) 6.666 4.022 ( -1.465 6.198 1.658) 6.581 4.209 ( 0.496 -0.801 -0.636) 1.137 4.436 ( -0.874 4.293 13.388) 14.087 4.502 ( 1.446 -8.271 -0.158) 8.397 4.631 ( -2.992 -9.326 -0.028) 9.794 4.691 ( 1.701 4.693 -5.327) 7.300 4.818 ( -3.545 3.123 4.814) 6.745 4.827 ( 20.034 7.646 -4.976) 22.013 5.021 ( 7.575 3.023 -10.397) 13.214 5.055 ( 2.614 -9.333 1.958) 9.888 5.279 ( 6.184 10.589 1.082) 12.310 5.494 ( 6.329 -3.371 -6.555) 9.715 5.558 ( -1.751 1.150 0.856) 2.263 5.656 ( 5.253 5.135 -6.495) 9.805 5.762 ( 2.515 1.920 1.756) 3.618 5.886 ( 1.300 -2.265 3.778) 4.593 6.017 ( 7.383 -1.271 3.906) 8.449 6.047 ( 4.728 5.518 2.452) 7.670 6.207 ( -0.760 1.571 1.969) 2.631 6.419 ( 0.707 0.782 -0.244) 1.082 6.537 ( 6.195 2.997 2.535) 7.334 6.709 ( 3.422 -2.260 -0.566) 4.140 6.834 ( 6.149 5.267 -2.325) 8.423 6.914 ( 2.071 9.135 -2.635) 9.730 7.236 ( -0.420 -3.148 0.996) 3.328 7.283 ( -1.055 -1.060 3.353) 3.672 7.377 ( 5.064 3.601 7.228) 9.532 7.469 ( -7.436 6.937 7.010) 12.351 7.725 ( 3.008 -0.721 -5.895) 6.657 7.888 ( -17.873 0.116 -6.887) 19.154 7.997 ( -12.585 -1.027 3.930) 13.224 8.172 ( -7.500 0.062 0.901) 7.554 8.322 ( -11.782 0.241 -0.336) 11.789 8.551 ( -15.278 11.346 0.061) 19.030 8.562 ( -11.234 6.372 -1.787) 13.038 8.721 ( -13.565 -0.049 6.253) 14.937 9.241 ( -1.245 4.317 -0.207) 4.498 9.296 ( 1.532 10.460 -12.312) 16.228 10.020 ( -0.193 2.504 -17.037) 17.222 10.261 ( 1.908 6.528 -2.295) 7.178 10.410 ( 5.872 4.940 1.217) 7.770 10.655 ( 2.998 4.338 5.388) 7.539 11.218 ( 2.006 5.908 -8.828) 10.810 11.418 ( 1.992 -7.656 8.138) 11.350 11.725 ( 0.679 2.491 8.275) 8.668 12.599 ( 2.388 -3.440 -4.179) 5.916 12.715 ( 5.717 -2.355 2.592) 6.704 12.892 ( 4.325 0.518 -9.171) 10.153 13.011 ( -0.043 -9.050 9.009) 12.770 13.154 ( 2.332 -8.976 -6.855) 11.533 13.641 ( 1.350 -6.773 -11.616) 13.514 13.788 ( 0.038 -5.146 10.879) 12.035 14.045 ( -0.429 -4.861 4.096) 6.371 14.330 ( 1.590 -21.427 8.731) 23.192 14.722 ( -0.330 -11.413 12.178) 16.693 15.364 ( -1.250 -1.432 1.897) 2.686 15.496 ( -10.579 -5.039 -1.565) 11.822 15.731 ( -2.212 -4.399 -10.341) 11.453 16.305 ( -2.947 0.631 -7.737) 8.303 16.657 ( -0.867 -3.436 -0.807) 3.635 16.771 ( -3.411 -3.065 4.885) 6.701 16.805 ( -0.102 0.041 -1.255) 1.260 17.118 ( -5.055 -2.427 1.764) 5.878 20.564 ( 0.411 15.429 0.699) 15.450 21.062 ( -2.131 6.006 -10.619) 12.385 21.408 ( -1.950 9.962 1.304) 10.234 21.951 ( -3.302 0.855 6.764) 7.575 22.053 ( -1.912 -8.678 0.412) 8.896 22.966 ( 1.145 -6.933 -16.153) 17.615 23.655 ( -0.259 7.489 9.430) 12.045 23.934 ( 1.591 3.425 18.963) 19.335 24.399 ( 2.008 6.195 -12.144) 13.780 24.724 ( 3.184 2.743 -0.735) 4.266 25.774 ( -1.259 -5.261 0.565) 5.439 25.845 ( 0.592 -5.373 -0.710) 5.452 26.751 ( -0.089 6.711 5.114) 8.438 26.964 ( -0.807 1.065 0.277) 1.364 27.086 ( -0.264 6.452 5.490) 8.475 27.604 ( -2.316 2.098 -2.696) 4.128 27.764 ( -1.295 12.483 -0.341) 12.554 28.106 ( -3.072 6.474 -0.091) 7.167 28.190 ( -1.098 1.409 -0.818) 1.965 28.248 ( -5.804 8.409 -1.923) 10.396 28.398 ( 1.211 13.189 2.502) 13.478 28.659 ( 1.554 2.716 -3.133) 4.427 28.827 ( 6.716 -6.863 5.994) 11.320 29.637 ( 8.041 -23.091 -8.167) 25.779 30.609 ( 0.491 -3.912 0.523) 3.977 30.763 ( 2.321 -6.213 -0.649) 6.664 ======================= Grid point 101 (49/108) ======================= q-point: ( 0.43 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.729 ( -1.426 7.393 8.658) 11.474 3.326 ( 4.480 11.193 -9.672) 15.457 3.382 ( -0.868 -5.205 -1.843) 5.590 3.550 ( 5.537 5.074 -0.432) 7.523 3.666 ( 2.002 7.388 -8.464) 11.412 3.801 ( 0.300 5.940 3.114) 6.714 3.895 ( 4.398 4.050 -3.571) 6.964 4.022 ( -0.204 0.597 3.919) 3.969 4.178 ( -2.326 1.346 4.784) 5.487 4.314 ( -9.375 7.835 3.525) 12.716 4.475 ( -1.148 -4.160 0.832) 4.395 4.581 ( -0.482 -3.671 10.044) 10.704 4.666 ( -3.328 4.484 -3.139) 6.405 4.795 ( 1.934 2.962 6.188) 7.128 5.045 ( -0.424 -3.000 0.175) 3.035 5.184 ( 9.525 -2.297 -8.441) 12.933 5.293 ( 5.602 -6.476 1.797) 8.749 5.331 ( 3.730 1.431 -4.055) 5.692 5.522 ( 1.649 0.902 -10.404) 10.572 5.571 ( 5.437 -2.772 -0.373) 6.114 5.773 ( -3.265 1.053 0.953) 3.561 5.828 ( -1.048 -4.902 -1.882) 5.355 5.926 ( 9.209 -6.466 2.639) 11.557 6.055 ( 1.484 4.035 9.124) 10.086 6.156 ( 2.401 -3.846 -4.072) 6.094 6.314 ( 8.375 1.776 5.903) 10.399 6.544 ( 5.144 8.026 4.679) 10.619 6.609 ( 7.549 0.622 -2.634) 8.019 6.888 ( 10.260 1.875 -1.332) 10.515 6.957 ( -0.843 6.620 -1.503) 6.841 7.054 ( 12.101 8.070 -1.664) 14.640 7.157 ( -7.658 3.333 -1.392) 8.467 7.208 ( 1.881 2.164 4.284) 5.154 7.308 ( -7.842 1.096 5.860) 9.851 7.468 ( -3.361 4.145 8.104) 9.703 7.518 ( -11.627 7.829 4.351) 14.677 7.684 ( -8.360 -0.407 -1.754) 8.552 7.859 ( -1.230 2.288 0.619) 2.671 8.047 ( -7.640 2.682 1.086) 8.170 8.112 ( -7.949 3.216 -4.664) 9.761 8.319 ( -9.971 1.228 -6.465) 11.947 8.334 ( -0.223 7.783 2.371) 8.139 8.485 ( -7.796 1.803 8.027) 11.334 9.182 ( -1.139 2.629 -5.586) 6.278 9.402 ( 5.473 11.613 -11.808) 17.442 10.000 ( -0.931 3.233 -18.825) 19.124 10.283 ( -0.210 5.842 0.112) 5.847 10.470 ( 0.563 7.192 -0.431) 7.227 10.697 ( 0.885 5.256 4.545) 7.005 11.234 ( -0.251 4.375 -8.908) 9.928 11.447 ( 0.652 -5.968 8.935) 10.765 11.734 ( 0.045 1.616 9.006) 9.150 12.654 ( 2.244 -1.543 -3.029) 4.073 12.796 ( 1.530 -3.207 0.452) 3.581 12.970 ( 2.569 0.993 0.069) 2.755 13.025 ( 1.912 -7.435 -2.276) 8.007 13.203 ( 1.743 -10.551 -0.912) 10.733 13.661 ( 0.497 -5.446 -10.569) 11.900 13.787 ( 0.195 -6.193 9.739) 11.543 14.026 ( -1.286 -4.470 1.996) 5.061 14.367 ( 1.703 -21.209 9.048) 23.121 14.696 ( -1.917 -12.037 10.997) 16.417 15.253 ( -5.701 1.613 0.893) 5.991 15.437 ( 1.504 -6.935 1.656) 7.287 15.698 ( -0.918 -2.378 -10.848) 11.144 16.241 ( -3.030 0.520 -8.690) 9.217 16.637 ( -0.940 -6.163 -0.742) 6.278 16.736 ( 0.265 -5.422 3.006) 6.205 16.807 ( 0.230 1.766 0.110) 1.784 17.034 ( -2.783 -1.893 1.434) 3.658 20.567 ( 0.066 14.906 1.220) 14.956 21.017 ( -1.788 4.633 -9.182) 10.439 21.405 ( 1.512 10.936 -0.692) 11.062 21.857 ( -4.839 6.322 -0.958) 8.019 22.052 ( 1.055 -11.243 6.770) 13.166 22.981 ( 0.269 -8.164 -16.435) 18.353 23.655 ( 0.036 8.072 11.039) 13.676 23.964 ( 1.231 3.251 19.566) 19.873 24.426 ( 0.590 5.375 -11.991) 13.154 24.788 ( 2.815 2.723 0.401) 3.937 25.749 ( -1.008 -4.767 0.984) 4.970 25.859 ( 0.631 -5.861 -0.901) 5.964 26.748 ( -0.190 6.629 4.939) 8.268 26.948 ( -0.583 1.168 0.173) 1.317 27.095 ( 1.142 5.544 6.306) 8.473 27.585 ( 0.272 0.755 -2.464) 2.592 27.749 ( -0.138 13.507 1.344) 13.574 28.045 ( -2.914 4.098 -0.830) 5.096 28.131 ( -3.957 9.782 -4.217) 11.364 28.179 ( -0.588 4.562 -1.484) 4.834 28.426 ( 1.340 16.456 3.317) 16.840 28.675 ( -0.015 2.060 -2.247) 3.048 28.942 ( 3.844 -9.947 6.606) 12.544 29.757 ( 3.315 -25.211 -10.237) 27.411 30.616 ( 0.165 -4.353 1.039) 4.479 30.777 ( -0.580 -5.779 -1.517) 6.003 ======================= Grid point 102 (50/108) ======================= q-point: (-0.43 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.636 ( -8.087 6.568 5.149) 11.621 3.190 ( -9.822 7.035 -5.758) 13.383 3.231 ( -15.251 13.935 -4.148) 21.071 3.570 ( -3.775 0.247 -5.194) 6.426 3.794 ( 7.429 5.266 -2.301) 9.393 3.825 ( 2.706 0.316 1.748) 3.236 3.991 ( -2.653 1.507 1.325) 3.327 4.040 ( 5.130 4.484 -0.346) 6.823 4.109 ( -4.206 2.569 3.038) 5.790 4.264 ( 6.067 1.666 -1.407) 6.446 4.417 ( -6.818 1.651 -0.318) 7.022 4.559 ( 1.070 -5.398 5.121) 7.517 4.734 ( 8.133 1.985 9.611) 12.746 4.834 ( 3.352 3.120 3.599) 5.824 5.019 ( -3.357 -3.645 -1.792) 5.269 5.175 ( -8.110 3.625 -2.023) 9.111 5.247 ( -2.994 -7.606 -2.046) 8.426 5.420 ( 2.758 2.240 -3.192) 4.776 5.554 ( -0.640 1.449 -13.011) 13.107 5.699 ( -1.758 -3.044 0.606) 3.567 5.751 ( 5.281 -10.412 -3.991) 12.338 5.791 ( -3.349 -3.140 3.649) 5.864 5.919 ( -4.502 -5.243 3.199) 7.615 6.143 ( 4.704 7.969 10.839) 14.251 6.206 ( -1.300 3.427 3.177) 4.851 6.384 ( -2.868 -8.209 2.566) 9.066 6.557 ( -7.203 12.269 4.591) 14.949 6.692 ( -3.548 -4.965 -1.743) 6.347 6.791 ( -8.796 5.052 -3.561) 10.750 6.973 ( 6.029 7.124 -0.604) 9.353 7.036 ( -6.489 -0.812 -2.876) 7.144 7.128 ( 2.724 1.573 4.365) 5.381 7.203 ( -12.938 5.048 2.032) 14.036 7.302 ( 1.003 5.541 8.178) 9.929 7.377 ( -0.737 6.461 3.008) 7.164 7.569 ( 11.909 4.378 2.657) 12.964 7.634 ( 2.546 4.174 -0.287) 4.898 7.870 ( 3.289 3.798 -2.109) 5.449 7.918 ( 8.664 6.129 0.216) 10.615 8.017 ( -0.379 5.659 -5.122) 7.643 8.303 ( 6.364 0.684 -2.667) 6.934 8.417 ( 3.116 2.330 -0.632) 3.942 8.548 ( 14.526 2.240 6.899) 16.237 9.197 ( 1.597 4.001 -3.719) 5.691 9.487 ( 3.097 10.408 -12.306) 16.412 9.990 ( -0.660 1.055 -18.083) 18.126 10.232 ( -4.518 4.605 0.697) 6.489 10.466 ( -0.748 9.439 -1.619) 9.606 10.697 ( -0.695 4.959 4.977) 7.060 11.216 ( -1.353 3.450 -7.917) 8.741 11.448 ( -0.508 -4.031 7.331) 8.382 11.725 ( -0.869 1.136 8.978) 9.092 12.648 ( -3.680 -0.574 -1.895) 4.179 12.786 ( -1.547 -4.255 -2.426) 5.137 12.978 ( -1.588 -8.610 4.701) 9.938 13.078 ( 2.351 -2.522 -9.668) 10.265 13.206 ( -1.203 -6.175 4.205) 7.567 13.635 ( -3.146 -2.344 -5.893) 7.080 13.819 ( 2.474 -8.213 6.072) 10.509 14.002 ( -0.892 -4.154 1.135) 4.398 14.389 ( 0.373 -22.838 8.648) 24.423 14.664 ( -0.938 -14.001 10.790) 17.701 15.224 ( 3.068 2.476 -0.623) 3.992 15.474 ( 1.635 -6.466 3.968) 7.761 15.704 ( 1.664 -0.630 -10.605) 10.753 16.196 ( -1.091 0.009 -9.787) 9.847 16.628 ( 0.192 -6.482 -0.614) 6.514 16.779 ( 3.548 -7.904 2.024) 8.897 16.812 ( 0.303 3.136 1.434) 3.462 17.015 ( 1.036 -0.626 0.938) 1.531 20.572 ( 0.301 15.427 1.770) 15.531 21.001 ( 0.337 4.550 -9.696) 10.716 21.458 ( 3.374 11.063 -0.140) 11.567 21.783 ( -1.945 5.020 -2.334) 5.867 22.079 ( 1.380 -10.359 8.059) 13.197 22.977 ( -0.536 -8.881 -17.065) 19.245 23.647 ( -0.909 8.844 12.118) 15.030 23.984 ( 0.783 3.372 18.185) 18.512 24.421 ( -1.135 4.938 -11.748) 12.795 24.827 ( 0.831 2.800 1.455) 3.263 25.739 ( 0.144 -4.488 0.509) 4.519 25.868 ( 0.178 -6.564 -0.658) 6.600 26.745 ( -0.126 6.238 4.623) 7.766 26.943 ( 0.063 1.437 0.392) 1.491 27.128 ( 1.839 5.300 7.579) 9.429 27.605 ( 1.495 1.674 -3.333) 4.019 27.766 ( 1.887 11.659 3.025) 12.192 27.994 ( -1.357 3.910 -1.477) 4.395 28.086 ( -0.691 10.569 -5.993) 12.170 28.183 ( 0.766 5.724 -0.983) 5.858 28.446 ( 0.519 16.778 3.133) 17.076 28.660 ( -1.404 1.036 -2.147) 2.767 28.969 ( -1.117 -11.674 6.878) 13.595 29.759 ( -3.272 -23.563 -10.462) 25.987 30.615 ( -0.304 -4.184 1.290) 4.389 30.752 ( -1.694 -5.217 -2.192) 5.907 ======================= Grid point 103 (51/108) ======================= q-point: (-0.29 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( -7.245 18.925 4.164) 20.688 2.850 ( -17.009 24.497 1.554) 29.864 3.079 ( -4.346 7.707 2.244) 9.128 3.384 ( -12.410 4.207 -6.634) 14.687 3.785 ( -1.635 2.380 -3.525) 4.557 3.895 ( -5.180 -1.249 -0.962) 5.415 3.991 ( 4.446 -5.693 8.187) 10.918 4.045 ( -0.482 -5.477 -2.225) 5.931 4.138 ( 2.261 0.015 -0.001) 2.261 4.268 ( -3.019 1.996 3.540) 5.063 4.470 ( 10.580 1.919 -9.731) 14.502 4.582 ( -3.126 -4.508 1.638) 5.725 4.734 ( -4.114 -2.981 3.449) 6.141 4.911 ( -5.780 -13.099 2.199) 14.485 4.976 ( -2.137 2.576 2.379) 4.107 5.061 ( 1.976 15.560 -0.020) 15.684 5.152 ( -5.877 -2.430 -3.607) 7.311 5.343 ( -10.485 14.319 0.980) 17.774 5.533 ( 1.354 0.513 -13.071) 13.151 5.614 ( -4.398 1.688 7.650) 8.984 5.731 ( -1.029 3.167 1.149) 3.523 5.843 ( 1.823 -8.441 -3.555) 9.339 5.850 ( -2.159 -6.558 3.439) 7.713 6.075 ( -13.851 -1.645 6.341) 15.322 6.135 ( -4.449 10.056 11.694) 16.052 6.163 ( -8.380 5.425 -4.457) 10.932 6.444 ( 0.605 2.239 3.176) 3.933 6.601 ( -4.609 -1.212 -2.570) 5.415 6.688 ( -10.038 0.099 10.419) 14.468 6.877 ( -4.069 -1.811 -5.681) 7.219 6.970 ( -7.693 7.311 -4.149) 11.395 7.040 ( -2.150 7.865 0.328) 8.161 7.238 ( 7.758 6.118 0.462) 9.891 7.338 ( 2.476 -1.557 4.710) 5.544 7.451 ( 3.501 -0.018 5.085) 6.173 7.548 ( 3.823 -3.298 -4.464) 6.739 7.910 ( 18.864 6.030 -2.250) 19.931 8.046 ( 8.379 2.584 -4.654) 9.927 8.134 ( 11.454 2.644 -0.732) 11.778 8.254 ( 13.349 4.534 -1.675) 14.197 8.482 ( 11.581 2.923 4.235) 12.673 8.574 ( 11.409 4.048 -1.695) 12.224 8.831 ( 11.589 2.352 4.676) 12.716 9.211 ( -0.425 8.666 -1.856) 8.873 9.554 ( 4.044 8.270 -8.139) 12.288 9.928 ( -5.951 -1.523 -13.005) 14.383 10.152 ( -2.674 2.424 -4.656) 5.891 10.416 ( -4.723 8.692 -1.520) 10.009 10.677 ( -1.170 4.983 6.679) 8.415 11.186 ( -1.609 3.464 -7.492) 8.410 11.422 ( -2.056 -3.489 5.927) 7.178 11.705 ( -0.979 1.416 7.663) 7.854 12.538 ( -5.270 -2.638 -1.898) 6.192 12.750 ( -2.203 -2.141 -4.947) 5.823 12.897 ( -5.959 -18.120 2.065) 19.186 13.107 ( 0.647 -2.045 -9.488) 9.727 13.185 ( -0.701 1.120 7.738) 7.850 13.558 ( -3.764 -1.344 -6.103) 7.295 13.850 ( 0.265 -7.835 6.553) 10.217 13.992 ( -0.132 -4.627 2.109) 5.086 14.383 ( -0.853 -24.726 8.461) 26.148 14.659 ( 0.193 -15.466 11.022) 18.992 15.346 ( 6.353 -0.287 -2.371) 6.787 15.521 ( 5.013 -3.376 4.067) 7.285 15.756 ( 2.950 -1.573 -8.968) 9.571 16.207 ( 2.211 0.014 -10.346) 10.580 16.642 ( 1.065 -4.094 -0.355) 4.245 16.813 ( 0.079 0.556 -0.841) 1.011 16.865 ( 4.148 -6.543 5.177) 9.317 17.076 ( 4.680 0.572 0.613) 4.754 20.573 ( -0.412 16.620 1.975) 16.742 21.027 ( 1.898 5.366 -11.502) 12.833 21.526 ( 2.962 11.224 2.629) 11.902 21.792 ( 2.930 0.301 -1.491) 3.301 22.100 ( 0.610 -9.318 7.917) 12.242 22.964 ( -0.666 -8.544 -17.761) 19.720 23.623 ( -1.153 9.145 12.966) 15.908 23.998 ( 0.540 3.743 15.085) 15.552 24.383 ( -2.419 4.882 -11.628) 12.842 24.816 ( -2.033 2.995 1.697) 3.998 25.756 ( 1.512 -4.834 -0.306) 5.074 25.864 ( -0.616 -7.104 -0.336) 7.138 26.744 ( 0.064 5.835 4.440) 7.333 26.950 ( 0.619 1.662 0.680) 1.899 27.159 ( 0.903 5.804 8.381) 10.235 27.648 ( 2.748 3.394 -4.978) 6.622 27.816 ( 3.030 9.491 2.931) 10.385 28.017 ( 3.741 3.130 0.394) 4.893 28.099 ( 2.008 10.713 -5.626) 12.266 28.204 ( 1.357 5.852 -0.629) 6.040 28.440 ( -1.388 14.461 1.936) 14.656 28.609 ( -4.241 -1.364 -3.050) 5.399 28.918 ( -2.904 -9.751 6.807) 12.241 29.631 ( -8.859 -18.889 -8.955) 22.704 30.602 ( -1.001 -3.167 0.748) 3.405 30.708 ( -2.632 -4.914 -1.918) 5.895 ======================= Grid point 104 (52/108) ======================= q-point: (-0.14 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.393 ( 0.003 26.532 13.487) 29.764 2.628 ( -1.878 32.315 -0.391) 32.372 2.959 ( -8.252 11.195 -0.122) 13.908 3.215 ( -1.414 0.285 3.805) 4.069 3.772 ( 0.505 2.291 -1.694) 2.894 3.798 ( -4.344 -4.705 0.631) 6.435 3.913 ( -7.062 -3.187 3.372) 8.449 4.082 ( -1.700 0.271 0.347) 1.756 4.141 ( -2.026 -3.172 1.200) 3.950 4.282 ( 4.063 -7.499 -2.702) 8.947 4.438 ( -6.539 2.124 -1.576) 7.053 4.585 ( -5.591 3.031 -2.597) 6.870 4.661 ( -9.412 -8.164 -4.267) 13.169 4.736 ( 1.638 14.722 -1.345) 14.874 4.783 ( -10.871 2.173 10.987) 15.608 5.076 ( -0.975 -3.198 0.470) 3.376 5.131 ( 1.544 5.906 -6.641) 9.021 5.249 ( 2.738 9.988 -4.241) 11.192 5.470 ( -7.940 -0.525 -4.709) 9.246 5.646 ( 1.499 -0.096 0.168) 1.512 5.657 ( -9.993 -1.440 13.715) 17.030 5.737 ( 1.317 -1.077 -2.904) 3.366 5.866 ( -4.837 3.151 -3.397) 6.698 5.936 ( 5.139 -3.161 -1.863) 6.315 6.017 ( -5.596 12.206 2.694) 13.695 6.107 ( -0.122 2.876 3.156) 4.272 6.357 ( -8.719 5.930 8.825) 13.750 6.528 ( -2.633 0.520 -6.361) 6.903 6.665 ( 6.484 -3.326 2.341) 7.654 6.795 ( -1.800 -1.530 -0.207) 2.371 6.869 ( -0.695 -2.658 -7.365) 7.860 7.019 ( 0.750 5.801 -1.581) 6.059 7.311 ( -1.222 -3.440 4.476) 5.776 7.378 ( -1.079 2.237 5.340) 5.889 7.523 ( 4.961 4.665 -0.632) 6.839 7.698 ( 6.562 -2.016 -1.301) 6.986 8.222 ( 7.398 0.647 -3.327) 8.137 8.287 ( 11.631 -2.033 -1.103) 11.859 8.353 ( 13.299 5.741 -3.330) 14.863 8.455 ( 9.626 3.840 -2.691) 10.707 8.655 ( 5.791 -0.514 4.437) 7.313 8.839 ( 10.280 10.966 0.129) 15.032 8.965 ( 1.910 5.721 5.148) 7.930 9.191 ( -1.796 7.412 2.158) 7.926 9.649 ( 4.187 6.420 -8.956) 11.788 9.786 ( -6.419 -2.237 -8.104) 10.577 10.105 ( -1.869 -0.489 -5.294) 5.636 10.286 ( -6.795 9.383 -0.756) 11.609 10.652 ( -1.312 5.175 6.588) 8.479 11.151 ( -1.640 3.733 -7.666) 8.683 11.376 ( -2.004 -4.912 6.132) 8.108 11.691 ( -0.278 1.843 5.944) 6.229 12.481 ( -0.138 -2.976 -2.160) 3.680 12.691 ( -3.527 -0.739 -7.231) 8.079 12.781 ( -4.470 -21.195 -0.955) 21.683 13.102 ( -1.266 1.801 -9.584) 9.833 13.167 ( -1.105 -1.503 10.332) 10.499 13.509 ( -0.534 -2.221 -8.901) 9.189 13.838 ( -1.150 -7.801 7.346) 10.777 13.997 ( 0.654 -4.715 4.548) 6.584 14.358 ( -1.536 -25.889 8.614) 27.327 14.667 ( 0.625 -15.182 11.869) 19.281 15.395 ( -0.195 -5.080 -1.316) 5.252 15.713 ( 10.349 -0.469 -0.125) 10.360 15.806 ( 2.228 -4.845 -7.727) 9.388 16.274 ( 3.790 0.178 -9.657) 10.376 16.663 ( 0.843 -1.665 -0.234) 1.881 16.812 ( -0.131 1.873 -0.149) 1.883 16.935 ( 2.315 -7.884 5.604) 9.946 17.180 ( 4.725 0.739 0.723) 4.837 20.553 ( -1.332 17.709 1.969) 17.868 21.066 ( 1.791 6.680 -13.392) 15.072 21.565 ( 0.700 10.987 5.604) 12.353 21.891 ( 6.013 -5.680 1.866) 8.479 22.102 ( -0.258 -8.487 6.614) 10.763 22.951 ( -0.661 -6.808 -18.231) 19.471 23.616 ( 0.671 7.917 13.579) 15.732 24.000 ( -0.654 3.775 10.526) 11.201 24.334 ( -1.951 5.946 -11.952) 13.491 24.750 ( -4.065 3.384 0.934) 5.371 25.794 ( 1.946 -5.771 -0.858) 6.151 25.843 ( -1.326 -6.760 -0.026) 6.888 26.747 ( 0.166 5.688 4.563) 7.294 26.965 ( 0.749 1.689 0.802) 2.014 27.160 ( -0.740 6.946 7.799) 10.470 27.696 ( 1.396 3.812 -7.443) 8.478 27.914 ( 6.756 8.340 3.824) 11.394 28.115 ( 4.502 1.376 3.322) 5.761 28.154 ( 2.839 9.727 -3.038) 10.578 28.248 ( 2.470 7.335 -2.028) 8.001 28.373 ( -4.880 7.384 -1.646) 9.003 28.491 ( -5.549 -1.050 -1.960) 5.978 28.889 ( -0.125 -5.798 6.862) 8.984 29.431 ( -9.534 -14.098 -7.105) 18.443 30.578 ( -0.916 -1.206 -0.450) 1.579 30.653 ( -2.532 -3.689 -0.198) 4.479 ======================= Grid point 105 (53/108) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.821 ( 0.575 10.776 7.435) 13.104 3.017 ( 8.157 7.179 14.341) 17.992 3.165 ( 0.706 8.960 -4.155) 9.902 3.432 ( 1.402 13.335 4.327) 14.090 3.668 ( -0.690 -2.036 2.312) 3.157 3.773 ( 2.129 -4.921 2.557) 5.940 3.801 ( -3.353 3.836 0.709) 5.144 3.984 ( -0.237 -2.587 1.385) 2.944 4.097 ( 3.533 -4.293 -4.562) 7.192 4.231 ( 4.765 -9.216 -3.218) 10.863 4.306 ( -2.809 -4.635 -0.989) 5.509 4.354 ( -4.583 -4.810 -1.479) 6.806 4.565 ( 2.179 4.649 -2.472) 5.698 4.662 ( -6.342 6.083 6.614) 10.998 4.947 ( 1.489 0.924 -11.379) 11.513 5.052 ( -2.867 0.658 0.513) 2.986 5.312 ( -2.012 5.642 -4.213) 7.324 5.386 ( 1.940 2.077 -1.346) 3.145 5.459 ( -2.593 -2.932 -2.417) 4.601 5.567 ( 1.819 1.760 -0.471) 2.574 5.601 ( -1.809 7.382 6.221) 9.822 5.743 ( 1.586 5.443 1.417) 5.844 5.892 ( 1.634 2.317 -0.061) 2.836 5.988 ( 0.166 3.619 -2.922) 4.654 6.139 ( -7.975 9.558 0.808) 12.475 6.255 ( 6.686 5.721 4.166) 9.736 6.401 ( -5.098 -1.655 -9.057) 10.524 6.475 ( -4.801 9.133 7.875) 12.980 6.589 ( -1.773 -5.516 -4.061) 7.075 6.784 ( 4.171 -5.335 0.993) 6.845 6.825 ( 9.237 -8.088 4.660) 13.132 7.103 ( -10.200 -4.447 5.879) 12.585 7.216 ( 4.219 5.448 -1.700) 7.098 7.363 ( 3.494 2.567 5.333) 6.873 7.642 ( -0.308 -1.271 -2.970) 3.245 7.766 ( 1.252 -0.576 1.349) 1.928 8.262 ( -3.582 0.889 -4.658) 5.943 8.328 ( -2.558 -1.993 -3.307) 4.631 8.560 ( -3.905 2.467 4.421) 6.394 8.697 ( -1.701 -1.900 3.029) 3.960 8.828 ( 14.048 8.354 -6.167) 17.469 9.088 ( -1.401 0.791 -3.025) 3.426 9.135 ( -0.063 8.353 0.953) 8.407 9.249 ( -2.383 5.976 5.467) 8.443 9.675 ( -1.742 0.649 -7.109) 7.349 9.718 ( -1.446 -2.469 -9.204) 9.638 10.128 ( 3.881 3.265 -1.300) 5.236 10.321 ( 0.177 -0.043 -6.263) 6.266 10.794 ( -1.025 10.651 5.184) 11.890 11.192 ( -0.025 -5.702 10.409) 11.868 11.359 ( 0.920 13.322 -8.502) 15.831 11.797 ( -0.014 7.265 2.487) 7.679 12.250 ( 0.154 -19.831 1.781) 19.911 12.425 ( 2.137 -7.464 0.821) 7.807 12.672 ( -0.520 1.326 -2.541) 2.913 12.981 ( -1.248 -10.433 1.613) 10.631 13.266 ( -3.348 11.992 -4.024) 13.085 13.418 ( 0.264 -5.071 -14.034) 14.924 13.604 ( 0.085 -11.436 4.276) 12.209 13.870 ( -0.926 -13.954 -0.499) 13.993 14.003 ( 2.160 -0.479 15.666) 15.822 14.374 ( 2.079 -16.004 12.621) 20.488 15.348 ( -0.739 2.423 -4.830) 5.454 15.653 ( -0.826 -9.684 -8.221) 12.730 15.878 ( 0.223 6.096 3.539) 7.052 16.269 ( 1.068 -8.195 -1.982) 8.498 16.657 ( 0.327 -0.091 -2.629) 2.650 16.741 ( -0.356 -4.213 -1.112) 4.372 16.977 ( -0.557 6.776 5.158) 8.534 17.210 ( 0.371 -3.227 -0.140) 3.251 20.944 ( -0.725 21.158 2.005) 21.265 21.267 ( 0.698 8.446 -7.191) 11.114 21.653 ( -1.033 -2.928 -0.723) 3.187 21.809 ( -2.069 -10.837 4.082) 11.764 22.026 ( 3.377 6.953 2.477) 8.117 22.691 ( 0.455 -16.956 -14.398) 22.249 23.798 ( 0.585 7.509 12.055) 14.214 23.982 ( -1.505 -1.237 9.872) 10.062 24.492 ( 0.231 8.603 -8.844) 12.341 24.711 ( -1.910 -0.886 -3.362) 3.967 25.728 ( -0.071 -2.053 -0.415) 2.096 25.750 ( 0.308 -2.634 0.284) 2.667 26.844 ( 0.243 3.811 3.923) 5.475 26.970 ( 0.178 -1.914 2.485) 3.142 27.344 ( -0.983 11.766 4.203) 12.533 27.702 ( -0.949 -3.673 -2.291) 4.431 28.117 ( -4.723 3.249 0.213) 5.737 28.166 ( 0.384 -0.425 -1.260) 1.384 28.280 ( 4.576 5.910 -0.148) 7.476 28.366 ( 4.682 2.031 -0.371) 5.118 28.490 ( -3.738 7.991 -1.215) 8.905 28.563 ( 4.385 5.664 -2.873) 7.717 28.791 ( -1.801 -2.330 4.189) 5.121 29.050 ( -1.873 -13.452 -2.700) 13.848 30.561 ( 0.203 -1.112 -0.156) 1.141 30.580 ( 0.461 -1.441 -0.474) 1.586 ======================= Grid point 106 (54/108) ======================= q-point: ( 0.14 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.952 ( 11.899 9.302 6.743) 16.540 3.078 ( -1.709 13.182 6.379) 14.743 3.322 ( 6.841 7.471 0.133) 10.131 3.448 ( 6.601 -1.338 7.251) 9.897 3.614 ( -3.305 -1.643 1.682) 4.056 3.745 ( -1.579 3.899 0.745) 4.272 3.826 ( 2.623 -2.426 2.865) 4.580 4.109 ( 6.971 1.406 -6.538) 9.660 4.171 ( 6.165 1.222 4.948) 7.999 4.275 ( -1.825 -9.730 0.759) 9.929 4.309 ( 4.203 -7.971 -5.209) 10.409 4.379 ( 6.332 -7.054 -1.947) 9.677 4.589 ( 1.171 8.372 6.767) 10.828 4.733 ( 10.692 3.958 -5.178) 12.522 4.967 ( 1.395 3.216 -2.121) 4.098 4.994 ( -3.415 -1.720 -7.002) 7.978 5.182 ( -7.449 11.272 -6.145) 14.843 5.353 ( -3.886 -4.974 -4.312) 7.644 5.505 ( 5.218 8.454 3.302) 10.468 5.575 ( 0.294 -3.960 0.233) 3.978 5.665 ( 3.528 1.760 -1.821) 4.343 5.718 ( -2.276 5.878 3.950) 7.439 5.853 ( -3.343 -1.665 0.586) 3.781 5.996 ( 1.329 8.212 6.352) 10.467 6.124 ( -0.663 1.500 -7.262) 7.445 6.264 ( -5.221 -3.037 -5.700) 8.305 6.374 ( 5.884 6.332 2.191) 8.917 6.502 ( 9.274 11.250 6.110) 15.808 6.652 ( 6.945 -3.092 -2.160) 7.903 6.760 ( -5.659 -2.816 9.084) 11.067 6.987 ( 5.959 -4.308 -2.276) 7.697 7.070 ( 7.217 -1.646 3.266) 8.090 7.256 ( -3.010 1.721 1.614) 3.825 7.426 ( 3.265 5.458 4.879) 8.016 7.616 ( -1.298 -6.200 0.519) 6.356 7.715 ( -4.774 0.874 0.140) 4.855 8.126 ( -10.003 -1.829 -4.891) 11.284 8.182 ( -11.007 -3.184 -3.539) 11.992 8.402 ( -9.477 4.829 1.702) 10.771 8.558 ( -10.161 -1.405 1.201) 10.328 8.892 ( -9.288 5.829 -0.378) 10.972 8.981 ( -9.395 0.824 -0.336) 9.437 9.064 ( -7.220 11.706 -2.364) 13.956 9.268 ( 5.718 5.989 3.660) 9.053 9.552 ( -4.963 6.856 -6.979) 10.970 9.874 ( 9.627 -7.289 -12.740) 17.553 10.243 ( 6.495 2.096 -0.493) 6.842 10.359 ( 3.092 0.505 -6.340) 7.072 10.781 ( 0.165 11.187 5.565) 12.496 11.212 ( 1.885 -7.462 9.538) 12.256 11.406 ( 3.213 15.523 -8.122) 17.812 11.799 ( 0.099 5.661 3.507) 6.660 12.309 ( 5.293 -16.010 3.009) 17.128 12.494 ( 4.374 -7.900 1.893) 9.226 12.683 ( 1.859 -1.759 -3.135) 4.047 12.937 ( -2.974 -10.993 1.549) 11.493 13.222 ( -0.550 12.606 -5.349) 13.705 13.439 ( 1.463 -7.008 -13.352) 15.150 13.617 ( 1.021 -9.752 5.331) 11.161 13.873 ( 1.235 -12.544 -0.942) 12.640 14.045 ( 1.786 -0.192 15.584) 15.687 14.417 ( 1.845 -15.743 12.330) 20.082 15.335 ( -0.483 1.911 -4.465) 4.881 15.619 ( -2.903 -9.434 -7.527) 12.413 15.801 ( -6.752 8.135 2.403) 10.842 16.260 ( -1.753 -9.964 -1.381) 10.211 16.643 ( -1.828 -0.286 -3.126) 3.633 16.718 ( -1.938 -3.617 -0.797) 4.181 16.944 ( -2.275 6.992 4.127) 8.432 17.173 ( -3.774 -3.171 0.091) 4.930 20.933 ( -0.478 19.806 1.021) 19.838 21.254 ( -2.026 7.294 -5.706) 9.480 21.605 ( -2.978 0.745 -2.321) 3.849 21.785 ( -0.417 -10.725 6.582) 12.591 22.079 ( 1.392 5.819 -0.233) 5.988 22.701 ( 0.571 -16.448 -13.952) 21.576 23.808 ( 0.227 6.877 10.361) 12.438 23.962 ( -0.169 0.145 13.047) 13.049 24.504 ( 0.920 7.345 -8.870) 11.553 24.699 ( 0.723 -0.939 -3.899) 4.075 25.723 ( -0.339 -1.644 -0.118) 1.682 25.754 ( 0.135 -2.914 0.186) 2.923 26.848 ( 0.139 3.705 3.980) 5.440 26.968 ( -0.355 -1.821 2.335) 2.983 27.311 ( -2.154 11.650 3.771) 12.433 27.659 ( -3.044 -3.552 -1.788) 5.008 28.005 ( -4.152 6.394 1.007) 7.690 28.175 ( 0.110 -2.174 -1.929) 2.909 28.311 ( -3.296 5.783 1.460) 6.814 28.415 ( 0.394 2.732 -3.754) 4.660 28.511 ( 5.483 7.274 -1.608) 9.251 28.655 ( 4.094 2.844 -0.082) 4.985 28.744 ( -1.270 1.821 4.578) 5.088 29.104 ( 5.705 -15.950 -4.221) 17.457 30.560 ( -0.069 -0.886 -0.156) 0.902 30.614 ( 2.260 -2.992 -0.345) 3.766 ======================= Grid point 107 (55/108) ======================= q-point: ( 0.29 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.011 ( -3.274 11.485 8.877) 14.880 3.234 ( 10.690 6.315 1.038) 12.459 3.425 ( 2.257 2.349 -3.842) 5.037 3.471 ( 6.220 2.481 -2.845) 7.276 3.724 ( 4.110 -3.852 4.476) 7.195 3.746 ( 1.734 5.533 0.314) 5.807 3.878 ( 2.728 -0.995 1.478) 3.258 4.173 ( -6.632 -1.855 -2.934) 7.486 4.216 ( 8.336 6.190 -3.832) 11.068 4.298 ( 1.532 -6.757 2.723) 7.444 4.465 ( 2.259 -3.089 3.577) 5.238 4.500 ( 8.636 -3.659 0.234) 9.382 4.667 ( 7.510 -0.857 4.348) 8.720 4.869 ( -5.969 4.298 -1.195) 7.452 4.950 ( 7.309 -1.045 -4.119) 8.454 5.021 ( 1.765 10.309 -0.458) 10.469 5.099 ( 0.108 5.869 -8.857) 10.625 5.351 ( 4.206 -11.768 -0.605) 12.512 5.512 ( -0.564 3.376 -1.564) 3.763 5.583 ( -4.209 2.063 -2.205) 5.180 5.666 ( 3.016 -3.208 2.929) 5.289 5.749 ( 0.843 0.686 -0.684) 1.284 5.860 ( 2.105 2.159 1.277) 3.274 5.943 ( -7.349 -12.552 -3.855) 15.047 6.111 ( 4.971 6.041 6.981) 10.485 6.271 ( 7.164 3.745 -1.280) 8.184 6.529 ( 1.681 2.206 1.508) 3.157 6.639 ( 3.947 5.753 6.100) 9.267 6.792 ( 9.127 9.772 2.160) 13.545 6.870 ( 15.281 7.074 0.448) 16.845 7.039 ( -1.132 4.093 -1.261) 4.430 7.144 ( -1.680 -5.235 -0.353) 5.510 7.233 ( 4.555 -4.179 5.260) 8.116 7.469 ( -0.813 4.848 2.600) 5.560 7.562 ( -4.483 0.057 6.726) 8.083 7.703 ( 5.952 -2.734 -0.810) 6.600 7.856 ( -15.327 -2.892 -5.109) 16.413 7.919 ( -12.763 -5.152 0.223) 13.766 8.226 ( -7.575 5.104 -0.862) 9.174 8.352 ( -9.647 1.224 -0.171) 9.726 8.641 ( -13.217 4.350 -1.992) 14.056 8.710 ( -15.849 1.152 5.583) 16.843 8.866 ( -11.789 13.518 0.781) 17.954 9.270 ( -5.672 -2.355 -2.528) 6.641 9.569 ( 5.512 15.212 -11.259) 19.712 9.997 ( 2.341 -4.039 -18.225) 18.813 10.350 ( 3.343 2.386 -0.230) 4.113 10.443 ( 4.740 -1.107 -3.269) 5.864 10.815 ( 2.992 10.699 6.463) 12.853 11.262 ( 2.744 -8.260 9.104) 12.596 11.459 ( 1.360 16.147 -7.957) 18.052 11.799 ( -0.048 4.001 5.137) 6.511 12.439 ( 6.644 -9.168 1.671) 11.445 12.606 ( 6.875 -6.497 3.151) 9.970 12.741 ( 3.211 -6.935 -2.446) 8.025 12.875 ( -2.744 -11.420 -0.253) 11.748 13.240 ( 1.904 10.417 -2.351) 10.848 13.473 ( 1.901 -6.711 -12.370) 14.201 13.633 ( 0.255 -8.139 5.087) 9.601 13.914 ( 2.471 -10.053 -1.998) 10.543 14.066 ( 0.059 -1.167 15.081) 15.126 14.435 ( -0.382 -15.842 10.467) 18.992 15.331 ( 0.157 0.272 -2.880) 2.897 15.499 ( -8.520 -1.437 0.520) 8.656 15.695 ( -2.395 5.255 -4.603) 7.385 16.210 ( -2.827 -11.603 -1.990) 12.107 16.583 ( -3.831 -0.900 -3.218) 5.084 16.669 ( -2.530 -3.194 -0.775) 4.147 16.904 ( -1.340 5.740 2.740) 6.500 17.082 ( -4.468 -2.315 0.028) 5.032 20.921 ( -0.666 18.108 0.587) 18.130 21.194 ( -3.408 6.034 -4.204) 8.105 21.559 ( -1.273 2.927 -2.851) 4.280 21.788 ( 0.699 -10.984 7.729) 13.449 22.074 ( -1.694 8.460 -3.928) 9.480 22.712 ( 0.446 -16.434 -13.778) 21.450 23.810 ( 0.162 7.169 9.685) 12.050 23.975 ( 1.082 -0.011 16.322) 16.358 24.526 ( 1.092 6.455 -8.598) 10.807 24.734 ( 2.466 -1.988 -3.579) 4.779 25.712 ( -0.725 -1.145 0.372) 1.405 25.758 ( 0.208 -3.222 -0.087) 3.230 26.849 ( -0.117 3.531 3.749) 5.152 26.957 ( -0.664 -1.574 1.861) 2.527 27.270 ( -1.555 10.594 4.323) 11.548 27.594 ( -2.930 -3.393 -0.365) 4.498 27.962 ( -0.547 7.229 2.183) 7.572 28.165 ( -1.055 -3.064 -1.535) 3.586 28.234 ( -3.352 7.175 -1.850) 8.133 28.384 ( -2.630 3.819 -4.306) 6.328 28.622 ( 4.739 6.298 -1.874) 8.102 28.712 ( 1.048 1.450 -0.036) 1.789 28.764 ( 2.758 3.376 6.754) 8.038 29.229 ( 5.946 -17.262 -6.107) 19.252 30.561 ( 0.168 -0.683 0.081) 0.708 30.654 ( 1.462 -4.616 -0.734) 4.897 ======================= Grid point 108 (56/108) ======================= q-point: ( 0.43 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.951 ( -2.747 13.673 8.720) 16.448 3.293 ( 0.311 -3.141 -0.218) 3.164 3.490 ( 0.648 4.690 -6.699) 8.203 3.658 ( 2.891 5.450 -6.009) 8.612 3.757 ( 1.415 -7.242 -0.034) 7.379 3.826 ( 8.670 7.085 -4.115) 11.929 3.927 ( 2.904 0.080 -2.959) 4.147 4.008 ( -8.112 -2.639 -6.492) 10.720 4.251 ( -5.169 -4.622 3.481) 7.759 4.340 ( 1.349 9.841 0.118) 9.934 4.482 ( -1.984 0.072 7.016) 7.291 4.612 ( 6.432 5.911 6.211) 10.718 4.738 ( -1.998 -6.284 -1.578) 6.780 4.862 ( 2.390 1.871 2.032) 3.652 5.039 ( -0.594 -4.206 3.006) 5.204 5.065 ( 3.733 7.316 0.456) 8.226 5.129 ( 5.401 -0.104 -4.490) 7.024 5.450 ( 3.320 -5.979 -1.652) 7.036 5.493 ( -2.650 2.716 -5.483) 6.668 5.566 ( 2.477 -3.726 -2.574) 5.162 5.695 ( -5.019 -1.527 1.155) 5.372 5.747 ( 3.329 -2.529 0.448) 4.205 5.845 ( 2.431 -1.854 5.070) 5.920 5.939 ( 4.020 -10.268 1.483) 11.126 6.205 ( 3.717 5.783 5.805) 8.998 6.467 ( -0.247 10.150 3.396) 10.706 6.530 ( 8.899 -5.442 -1.034) 10.482 6.703 ( 1.942 6.992 1.279) 7.368 6.909 ( 4.589 -1.550 -7.167) 8.650 6.974 ( -4.455 -1.183 2.375) 5.185 7.099 ( 0.850 -3.004 1.522) 3.473 7.199 ( -7.118 -3.164 -2.371) 8.143 7.358 ( 20.444 14.532 6.837) 25.998 7.384 ( -5.192 4.363 0.621) 6.810 7.530 ( -1.321 -0.811 4.390) 4.656 7.587 ( -8.480 1.594 2.085) 8.877 7.706 ( -1.241 2.590 -0.106) 2.874 7.895 ( 3.284 0.858 2.424) 4.171 8.107 ( -1.836 1.899 -0.251) 2.653 8.174 ( -8.405 2.026 -2.280) 8.941 8.393 ( -11.857 4.972 2.888) 13.177 8.442 ( -4.389 3.189 8.816) 10.351 8.634 ( -9.274 12.630 -1.435) 15.735 9.158 ( -3.443 -6.010 -6.025) 9.180 9.674 ( 4.121 14.155 -15.603) 21.466 10.003 ( -0.939 -2.110 -20.604) 20.733 10.380 ( -0.479 3.699 1.650) 4.078 10.513 ( 1.958 -1.353 -2.981) 3.814 10.872 ( 1.817 10.415 6.738) 12.537 11.311 ( 1.698 -7.727 10.211) 12.917 11.456 ( -1.128 15.789 -8.068) 17.767 11.798 ( -0.111 3.418 5.993) 6.900 12.553 ( 4.234 -5.184 -0.857) 6.748 12.718 ( 1.689 -3.717 1.047) 4.215 12.803 ( 0.520 -10.944 -3.187) 11.411 12.841 ( 1.974 -10.952 2.102) 11.325 13.285 ( 2.262 6.981 0.788) 7.381 13.521 ( 2.957 -6.057 -11.122) 13.005 13.621 ( -1.385 -6.124 4.665) 7.822 13.958 ( 1.560 -7.084 -3.643) 8.117 14.047 ( -1.812 -4.295 14.803) 15.520 14.400 ( -2.723 -16.033 8.551) 18.374 15.323 ( -2.312 0.583 -2.208) 3.250 15.375 ( -0.805 2.674 5.247) 5.943 15.679 ( 0.284 2.842 -6.295) 6.913 16.158 ( -2.146 -11.437 -3.574) 12.173 16.510 ( -2.662 -1.481 -2.977) 4.259 16.631 ( -0.839 -4.159 -1.213) 4.413 16.891 ( -0.073 4.515 2.168) 5.009 17.014 ( -1.922 -1.226 -0.121) 2.283 20.913 ( 0.099 17.368 1.102) 17.404 21.136 ( -1.875 5.971 -3.903) 7.375 21.552 ( 0.381 2.327 -2.374) 3.346 21.811 ( 1.422 -11.621 8.404) 14.412 22.023 ( -2.930 12.082 -6.690) 14.118 22.713 ( -0.368 -16.782 -14.220) 21.999 23.818 ( 0.484 7.366 10.634) 12.945 23.996 ( 0.848 -0.589 16.993) 17.025 24.543 ( 0.481 6.482 -8.317) 10.556 24.786 ( 2.350 -3.082 -2.713) 4.731 25.698 ( -0.603 -0.641 0.617) 1.074 25.761 ( 0.122 -3.656 -0.247) 3.666 26.844 ( -0.302 3.424 3.379) 4.821 26.945 ( -0.412 -1.386 1.503) 2.085 27.256 ( 0.240 9.377 5.298) 10.773 27.555 ( -0.650 -3.877 1.060) 4.071 27.962 ( 0.189 7.574 3.159) 8.208 28.142 ( -0.901 -0.161 -2.547) 2.707 28.180 ( -2.128 6.094 -3.589) 7.385 28.340 ( -1.312 5.930 -4.699) 7.679 28.692 ( 1.879 4.263 -1.091) 4.785 28.706 ( -1.311 -0.316 -0.419) 1.412 28.816 ( 1.797 3.894 6.528) 7.811 29.328 ( 3.499 -17.453 -6.469) 18.939 30.564 ( 0.067 -0.662 0.335) 0.745 30.668 ( -0.095 -4.894 -1.317) 5.069 ======================= Grid point 109 (57/108) ======================= q-point: (-0.43 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.901 ( -2.039 17.999 6.963) 19.406 3.283 ( -3.411 3.214 -1.388) 4.888 3.417 ( -4.996 4.150 -5.649) 8.608 3.619 ( -6.188 2.848 -6.156) 9.182 3.732 ( -2.590 -5.511 1.004) 6.171 3.878 ( -2.866 -4.178 -0.149) 5.069 3.920 ( 1.573 0.405 -10.653) 10.776 4.013 ( -5.916 -9.226 0.320) 10.964 4.181 ( 3.433 8.290 -1.151) 9.047 4.361 ( 3.763 3.016 0.120) 4.824 4.462 ( -0.565 2.728 3.977) 4.855 4.649 ( -5.677 9.903 4.072) 12.119 4.709 ( -0.184 -7.309 -0.791) 7.354 4.828 ( -3.177 1.245 -0.179) 3.417 4.995 ( -0.915 -3.169 5.899) 6.759 5.163 ( 4.153 6.523 0.251) 7.737 5.231 ( 0.333 2.494 1.160) 2.771 5.451 ( 1.701 -1.524 -4.172) 4.756 5.465 ( -0.730 -11.583 -3.307) 12.068 5.620 ( 2.395 -7.727 0.523) 8.106 5.655 ( -0.282 4.823 -5.920) 7.641 5.775 ( 2.414 2.936 4.235) 5.691 5.846 ( -4.387 -3.394 4.792) 7.330 6.079 ( 5.588 -10.176 6.302) 13.209 6.248 ( -1.120 2.525 7.203) 7.714 6.377 ( -5.665 2.830 -0.899) 6.396 6.637 ( -1.440 1.709 0.468) 2.283 6.728 ( -1.390 4.593 2.902) 5.608 6.858 ( -5.720 -1.266 -7.612) 9.605 6.978 ( 4.414 -0.849 0.269) 4.503 7.047 ( -5.501 1.065 -5.650) 7.957 7.133 ( 3.331 -1.690 6.967) 7.905 7.299 ( -6.930 4.064 -3.319) 8.693 7.363 ( -11.259 -1.247 3.910) 11.984 7.481 ( 3.259 6.848 6.452) 9.957 7.651 ( 1.826 1.298 3.840) 4.446 7.833 ( 5.001 9.844 4.880) 12.072 7.885 ( -1.401 2.822 -0.872) 3.269 8.076 ( 8.198 6.279 1.070) 10.382 8.176 ( 7.338 4.831 2.871) 9.243 8.302 ( 3.315 3.116 -4.106) 6.128 8.544 ( 4.718 10.767 -0.460) 11.764 8.581 ( 11.554 0.312 6.065) 13.053 9.161 ( 3.281 -8.574 -6.959) 11.520 9.733 ( 1.835 12.407 -15.415) 19.873 9.969 ( -2.540 -1.496 -19.592) 19.813 10.325 ( -4.718 4.736 2.084) 7.002 10.524 ( -1.003 -2.238 -4.037) 4.724 10.878 ( -0.982 10.841 7.315) 13.115 11.316 ( -1.252 -5.338 11.428) 12.675 11.437 ( -0.620 13.220 -9.285) 16.167 11.796 ( -0.003 4.055 5.429) 6.776 12.582 ( -2.435 -4.243 -1.186) 5.033 12.684 ( -6.075 -8.463 -0.254) 10.421 12.728 ( -2.883 -7.145 -0.319) 7.712 12.928 ( 3.522 -9.174 -0.475) 9.838 13.327 ( 1.767 5.672 1.271) 6.075 13.574 ( -0.745 1.249 -7.244) 7.388 13.592 ( 1.051 -12.856 2.563) 13.151 13.968 ( -0.591 -2.493 -3.032) 3.969 14.005 ( -2.043 -10.135 12.756) 16.419 14.348 ( -1.914 -16.195 8.275) 18.287 15.309 ( 1.637 3.564 -1.368) 4.154 15.414 ( 3.707 0.505 5.196) 6.403 15.696 ( 1.234 2.251 -5.094) 5.704 16.130 ( -0.301 -9.706 -5.157) 10.995 16.496 ( 1.479 -1.807 -2.479) 3.406 16.644 ( 1.950 -5.194 -1.376) 5.716 16.899 ( 0.794 4.162 2.431) 4.885 17.008 ( 1.358 -0.895 -0.386) 1.671 20.929 ( 1.350 17.938 1.990) 18.098 21.127 ( 1.005 6.701 -4.629) 8.206 21.568 ( 1.136 -0.253 -1.656) 2.024 21.840 ( 1.312 -12.231 9.225) 15.375 21.971 ( -1.927 14.297 -7.840) 16.419 22.699 ( -0.891 -17.143 -14.666) 22.578 23.822 ( -0.184 7.733 11.278) 13.676 24.009 ( 0.469 -1.078 15.900) 15.943 24.542 ( -0.646 7.182 -8.036) 10.797 24.819 ( 0.745 -3.759 -1.912) 4.282 25.692 ( 0.088 -0.484 0.373) 0.618 25.761 ( -0.137 -3.880 -0.194) 3.888 26.839 ( -0.200 3.516 3.145) 4.721 26.942 ( 0.166 -1.363 1.517) 2.046 27.277 ( 1.741 8.726 6.239) 10.867 27.570 ( 2.044 -4.388 1.500) 5.067 27.966 ( 0.419 7.766 3.108) 8.376 28.131 ( -0.446 7.632 -5.130) 9.207 28.153 ( -0.009 0.236 -2.339) 2.351 28.331 ( 0.313 6.270 -4.288) 7.602 28.654 ( -3.752 -2.115 -1.279) 4.493 28.700 ( -1.024 0.138 -0.112) 1.039 28.836 ( 0.270 6.927 4.982) 8.537 29.361 ( -0.461 -16.170 -5.262) 17.011 30.563 ( -0.124 -0.771 0.484) 0.918 30.654 ( -1.194 -4.407 -1.752) 4.891 ======================= Grid point 110 (58/108) ======================= q-point: (-0.29 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.865 ( -1.803 21.101 4.782) 21.711 3.159 ( -7.033 5.814 -0.454) 9.136 3.308 ( -5.296 13.160 0.572) 14.197 3.453 ( -10.285 1.805 -6.063) 12.075 3.703 ( 0.971 -9.871 4.067) 10.720 3.835 ( -3.563 -1.699 -0.755) 4.019 3.845 ( -4.603 -8.468 6.480) 11.614 3.963 ( 1.911 -2.565 -9.316) 9.850 4.178 ( -3.574 3.893 -2.100) 5.687 4.358 ( -7.929 2.404 1.814) 8.482 4.500 ( 1.794 -0.992 3.257) 3.848 4.588 ( 2.317 8.780 -4.110) 9.967 4.635 ( -5.640 -10.946 -0.173) 12.314 4.752 ( -4.039 5.786 -4.197) 8.210 5.009 ( 1.560 -2.594 3.550) 4.666 5.160 ( -3.919 2.588 -1.990) 5.101 5.211 ( -0.207 1.064 -0.334) 1.134 5.482 ( 2.050 -2.465 0.313) 3.221 5.523 ( 2.499 -4.952 -0.658) 5.586 5.613 ( -5.111 -3.539 1.660) 6.434 5.693 ( -4.164 2.336 1.428) 4.983 5.705 ( 1.919 -5.149 -1.607) 5.725 5.828 ( 0.834 3.961 -1.927) 4.483 5.999 ( -7.388 -2.047 5.039) 9.174 6.233 ( -1.151 4.099 -0.728) 4.319 6.373 ( 5.565 0.297 6.060) 8.234 6.504 ( -5.950 4.416 2.711) 7.889 6.607 ( -9.083 7.147 2.826) 11.898 6.785 ( -7.389 2.137 1.789) 7.898 6.860 ( -10.408 6.567 -2.604) 12.579 6.995 ( -7.563 -5.478 1.158) 9.410 7.133 ( -1.044 1.631 -0.506) 2.001 7.255 ( 1.329 -1.476 4.017) 4.481 7.385 ( 14.582 0.764 1.803) 14.713 7.497 ( -6.592 7.536 -1.859) 10.184 7.557 ( 0.063 1.493 6.382) 6.554 8.006 ( 11.585 2.295 -1.068) 11.859 8.016 ( 11.665 -1.994 1.165) 11.892 8.239 ( 8.296 4.389 3.865) 10.150 8.406 ( 12.001 6.352 -0.827) 13.604 8.440 ( 7.916 2.038 -9.925) 12.858 8.766 ( 15.333 10.661 1.684) 18.751 8.856 ( 12.712 -0.747 5.136) 13.731 9.245 ( 3.791 -7.541 -5.556) 10.105 9.744 ( -1.171 9.858 -9.745) 13.911 9.899 ( -3.860 1.118 -16.591) 17.071 10.215 ( -5.530 4.149 -0.415) 6.925 10.468 ( -4.314 -3.299 -4.463) 7.029 10.846 ( -1.855 10.530 7.594) 13.115 11.271 ( -2.839 -3.939 10.739) 11.785 11.417 ( -1.721 10.916 -9.467) 14.551 11.798 ( 0.125 5.581 3.661) 6.676 12.458 ( -8.281 -5.937 -0.407) 10.197 12.522 ( -7.510 -13.410 1.633) 15.456 12.708 ( -0.520 -1.494 -1.233) 2.006 12.978 ( 1.506 -9.421 -0.972) 9.590 13.347 ( 0.095 6.136 0.156) 6.138 13.517 ( -3.554 1.912 -3.997) 5.680 13.619 ( 0.333 -13.287 -1.557) 13.382 13.947 ( -1.428 -5.002 -2.414) 5.735 13.967 ( -1.383 -9.051 13.269) 16.121 14.328 ( -0.130 -16.435 9.496) 18.982 15.350 ( 1.420 1.969 -3.412) 4.187 15.533 ( 7.575 -0.390 3.653) 8.419 15.725 ( 1.806 2.880 -3.062) 4.575 16.154 ( 2.610 -8.181 -5.061) 9.967 16.557 ( 3.899 -1.230 -2.107) 4.599 16.694 ( 2.491 -5.158 -1.229) 5.858 16.923 ( 1.666 4.692 3.366) 6.010 17.068 ( 4.286 -1.654 -0.613) 4.635 20.956 ( 0.973 19.502 2.628) 19.703 21.170 ( 2.918 7.657 -5.989) 10.149 21.598 ( 1.865 -3.249 -1.059) 3.893 21.862 ( 0.693 -13.470 8.662) 16.029 21.948 ( -0.409 15.044 -5.829) 16.139 22.684 ( -0.429 -17.372 -14.732) 22.781 23.810 ( -0.901 8.309 11.624) 14.317 24.015 ( 0.057 -1.738 13.445) 13.557 24.520 ( -1.302 8.261 -7.950) 11.539 24.812 ( -1.460 -3.589 -1.739) 4.247 25.702 ( 0.806 -0.876 -0.128) 1.197 25.756 ( -0.355 -3.612 0.001) 3.629 26.837 ( 0.030 3.702 3.247) 4.925 26.950 ( 0.543 -1.510 1.819) 2.426 27.318 ( 1.948 9.241 6.497) 11.463 27.631 ( 3.586 -4.431 0.479) 5.720 27.990 ( 2.265 7.581 2.107) 8.188 28.131 ( 0.617 7.566 -3.997) 8.579 28.179 ( 2.399 -0.627 -1.207) 2.757 28.348 ( 1.245 5.386 -4.537) 7.152 28.551 ( -6.037 -3.059 -1.998) 7.056 28.665 ( -2.305 2.478 -0.084) 3.385 28.827 ( -1.021 5.425 4.023) 6.831 29.303 ( -5.225 -14.040 -3.672) 15.424 30.560 ( -0.193 -0.851 0.368) 0.947 30.623 ( -1.667 -3.515 -1.642) 4.223 ======================= Grid point 111 (59/108) ======================= q-point: (-0.14 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.840 ( -0.140 16.521 9.551) 19.084 2.994 ( -7.550 4.463 0.908) 8.817 3.243 ( -7.196 6.865 -3.059) 10.406 3.318 ( 5.099 19.106 5.936) 20.646 3.732 ( -4.149 -2.921 1.897) 5.417 3.738 ( 1.422 -6.046 0.418) 6.225 3.846 ( 0.535 -4.041 5.205) 6.611 3.991 ( 0.454 -6.606 -2.361) 7.029 4.086 ( -3.479 -0.613 -4.435) 5.670 4.223 ( -4.015 0.769 -2.788) 4.948 4.421 ( -7.576 -3.859 0.988) 8.559 4.464 ( -6.068 -6.930 -0.956) 9.261 4.598 ( -4.277 3.271 2.017) 5.749 4.783 ( 1.850 8.425 -4.124) 9.561 4.934 ( -5.097 -5.371 -8.421) 11.214 5.129 ( -3.279 5.440 7.572) 9.883 5.246 ( 4.486 2.836 -3.296) 6.247 5.409 ( -3.502 -11.023 -0.504) 11.577 5.478 ( -2.818 0.658 -6.554) 7.164 5.589 ( 0.311 5.112 -0.161) 5.124 5.664 ( -1.584 8.680 3.517) 9.498 5.704 ( -1.423 -1.541 7.519) 7.806 5.867 ( 1.604 -3.071 1.485) 3.770 5.938 ( 2.720 1.744 -7.512) 8.177 6.227 ( -2.145 10.064 2.833) 10.673 6.358 ( -8.904 16.595 1.700) 18.909 6.441 ( -0.587 -5.892 -4.044) 7.170 6.534 ( -2.422 5.274 7.912) 9.812 6.631 ( 2.989 -0.168 7.144) 7.746 6.719 ( -4.267 -1.084 -4.408) 6.230 6.805 ( -8.413 -3.545 -0.305) 9.135 7.144 ( 0.403 4.084 0.406) 4.124 7.268 ( 2.243 -0.346 1.264) 2.598 7.357 ( -8.161 -5.998 5.284) 11.423 7.613 ( 3.383 3.486 -2.036) 5.267 7.653 ( 9.467 -0.438 2.348) 9.764 8.225 ( 8.145 -0.140 -1.687) 8.319 8.249 ( 9.717 -1.529 0.546) 9.852 8.471 ( 12.361 4.194 6.174) 14.440 8.576 ( 7.425 8.624 -15.496) 19.225 8.626 ( 7.843 -0.679 3.701) 8.699 9.018 ( 7.656 2.036 0.795) 7.962 9.064 ( 7.542 6.179 0.805) 9.783 9.282 ( -0.376 -2.255 -0.749) 2.406 9.691 ( -2.750 2.875 -5.833) 7.060 9.827 ( -4.105 4.214 -11.997) 13.362 10.119 ( -3.050 3.017 -1.331) 4.492 10.369 ( -4.598 -2.060 -5.644) 7.565 10.815 ( -1.137 10.194 6.513) 12.151 11.216 ( -2.257 -4.572 10.589) 11.753 11.373 ( -1.984 11.406 -9.215) 14.797 11.799 ( -0.065 7.184 2.252) 7.529 12.306 ( -5.600 -17.016 1.146) 17.951 12.422 ( -2.166 -7.049 0.800) 7.417 12.691 ( -1.077 0.329 -1.901) 2.210 12.992 ( 0.038 -9.888 0.474) 9.899 13.328 ( -2.106 8.442 -1.197) 8.782 13.445 ( -2.941 -0.057 -10.879) 11.270 13.612 ( -0.692 -12.939 1.693) 13.068 13.904 ( -2.243 -13.444 -1.084) 13.672 13.967 ( 1.104 -1.495 14.748) 14.865 14.340 ( 1.182 -16.379 11.351) 19.963 15.360 ( -0.254 2.176 -4.313) 4.837 15.647 ( 2.206 -8.952 -5.266) 10.618 15.801 ( 5.762 7.728 3.005) 10.097 16.220 ( 3.361 -7.580 -3.515) 9.006 16.628 ( 2.627 -0.447 -2.259) 3.493 16.733 ( 1.227 -4.667 -1.144) 4.960 16.962 ( 1.771 5.760 4.715) 7.652 17.160 ( 4.150 -2.687 -0.513) 4.971 20.960 ( -0.561 20.979 2.633) 21.151 21.231 ( 2.711 8.438 -7.193) 11.415 21.640 ( 1.913 -4.818 -0.250) 5.190 21.854 ( -1.684 -13.149 3.748) 13.776 21.964 ( 2.215 12.485 1.061) 12.724 22.683 ( 0.272 -17.367 -14.628) 22.708 23.795 ( -0.419 8.379 12.054) 14.686 24.008 ( -0.836 -2.180 10.661) 10.914 24.497 ( -0.742 9.045 -8.271) 12.278 24.765 ( -2.903 -2.285 -2.423) 4.418 25.720 ( 0.843 -1.721 -0.537) 1.990 25.749 ( -0.280 -2.915 0.297) 2.944 26.839 ( 0.192 3.815 3.603) 5.251 26.962 ( 0.536 -1.760 2.229) 2.890 27.347 ( 0.743 10.695 5.501) 12.049 27.692 ( 1.942 -4.057 -1.376) 4.703 28.071 ( 5.614 7.086 1.957) 9.250 28.148 ( 0.962 2.722 -2.378) 3.740 28.255 ( 4.829 1.387 0.149) 5.027 28.334 ( -4.736 -1.774 -3.678) 6.253 28.475 ( 1.166 6.376 -3.326) 7.285 28.599 ( -4.376 7.042 -0.292) 8.296 28.807 ( -0.665 -0.843 3.751) 3.901 29.165 ( -7.590 -12.410 -2.535) 14.766 30.556 ( -0.036 -0.682 -0.131) 0.696 30.592 ( -1.239 -2.343 -0.844) 2.781 ======================= Grid point 112 (60/108) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.975 ( 4.187 -6.284 7.898) 10.927 2.975 ( 4.187 6.284 7.898) 10.927 3.444 ( -3.129 -14.078 1.452) 14.495 3.444 ( -3.129 14.078 1.452) 14.495 3.676 ( 0.914 -5.323 2.476) 5.942 3.676 ( 0.914 5.323 2.476) 5.942 3.923 ( 4.356 -6.425 2.757) 8.237 3.923 ( 4.356 6.425 2.757) 8.237 4.056 ( -0.082 -3.828 -4.857) 6.185 4.056 ( -0.082 3.828 -4.857) 6.185 4.288 ( -3.174 -1.990 -0.712) 3.813 4.288 ( -3.174 1.990 -0.712) 3.813 4.696 ( -0.580 -4.674 -1.397) 4.913 4.696 ( -0.580 4.674 -1.397) 4.913 5.022 ( -2.004 -5.890 -4.925) 7.935 5.022 ( -2.004 5.890 -4.925) 7.935 5.286 ( 2.481 -2.051 5.297) 6.198 5.286 ( 2.481 2.051 5.297) 6.198 5.550 ( -1.217 -4.578 -3.349) 5.801 5.550 ( -1.217 4.578 -3.349) 5.801 5.756 ( 1.768 -4.433 5.465) 7.255 5.756 ( 1.768 4.433 5.465) 7.255 5.979 ( -1.028 -8.640 -8.195) 11.952 5.979 ( -1.028 8.640 -8.195) 11.952 6.268 ( -2.558 -5.450 -5.831) 8.381 6.268 ( -2.558 5.450 -5.831) 8.381 6.489 ( -3.413 -2.544 -3.133) 5.285 6.489 ( -3.413 2.544 -3.133) 5.285 6.642 ( 4.973 -8.600 9.998) 14.094 6.642 ( 4.973 8.600 9.998) 14.094 6.901 ( -3.265 -14.681 8.520) 17.285 6.901 ( -3.265 14.681 8.520) 17.285 7.308 ( 3.647 -4.393 1.235) 5.841 7.308 ( 3.647 4.393 1.235) 5.841 7.708 ( -0.852 -4.764 -0.669) 4.886 7.708 ( -0.852 4.764 -0.669) 4.886 8.290 ( -3.351 -1.818 -4.070) 5.576 8.290 ( -3.351 1.818 -4.070) 5.576 8.629 ( -1.949 -3.940 4.655) 6.402 8.629 ( -1.949 3.940 4.655) 6.402 9.015 ( 6.717 -7.910 -7.368) 12.727 9.015 ( 6.717 7.910 -7.368) 12.727 9.257 ( 1.272 -3.846 0.080) 4.051 9.257 ( 1.272 3.846 0.080) 4.051 9.691 ( -4.624 -2.652 -3.826) 6.562 9.691 ( -4.624 2.652 -3.826) 6.562 10.237 ( 2.078 -6.431 -5.773) 8.888 10.237 ( 2.078 6.431 -5.773) 8.888 11.018 ( -0.459 -10.699 7.451) 13.046 11.018 ( -0.459 10.699 7.451) 13.046 11.698 ( 1.088 -17.429 -6.090) 18.494 11.698 ( 1.088 17.429 -6.090) 18.494 12.201 ( 0.165 -13.069 5.744) 14.276 12.201 ( 0.165 13.069 5.744) 14.276 12.765 ( -0.888 -8.479 1.574) 8.670 12.765 ( -0.888 8.479 1.574) 8.670 13.363 ( -1.307 -4.717 -7.910) 9.302 13.363 ( -1.307 4.717 -7.910) 9.302 13.622 ( -0.373 -11.708 -2.234) 11.925 13.622 ( -0.373 11.708 -2.234) 11.925 14.100 ( 2.268 -9.723 14.822) 17.870 14.100 ( 2.268 9.723 14.822) 17.870 15.463 ( -0.797 -8.299 -7.317) 11.093 15.463 ( -0.797 8.299 -7.317) 11.093 16.058 ( 0.300 -10.859 3.719) 11.482 16.058 ( 0.300 10.859 3.719) 11.482 16.682 ( 0.132 -2.171 -2.528) 3.335 16.682 ( 0.132 2.171 -2.528) 3.335 17.114 ( 0.034 -6.146 1.224) 6.266 17.114 ( 0.034 6.146 1.224) 6.266 21.307 ( -0.961 -10.627 -0.344) 10.676 21.307 ( -0.961 10.627 -0.344) 10.676 21.596 ( 0.260 -4.758 1.882) 5.123 21.596 ( 0.260 4.758 1.882) 5.123 22.323 ( 1.025 -18.365 -8.262) 20.164 22.323 ( 1.025 18.365 -8.262) 20.164 23.922 ( -0.303 -4.658 10.926) 11.881 23.922 ( -0.303 4.658 10.926) 11.881 24.641 ( -0.893 -5.788 -6.035) 8.409 24.641 ( -0.893 5.788 -6.035) 8.409 25.717 ( 0.105 -0.669 0.161) 0.696 25.717 ( 0.105 0.669 0.161) 0.696 26.915 ( 0.183 -3.260 3.374) 4.695 26.915 ( 0.183 3.260 3.374) 4.695 27.566 ( -0.740 -9.422 1.341) 9.546 27.566 ( -0.740 9.422 1.341) 9.546 28.152 ( -2.477 -0.913 -1.323) 2.953 28.152 ( -2.477 0.913 -1.323) 2.953 28.365 ( 5.362 -2.267 -0.165) 5.823 28.365 ( 5.362 2.267 -0.165) 5.823 28.623 ( 0.871 -1.848 -2.365) 3.125 28.623 ( 0.871 1.848 -2.365) 3.125 28.816 ( -2.939 -7.742 0.997) 8.341 28.816 ( -2.939 7.742 0.997) 8.341 30.557 ( 0.207 -0.625 -0.448) 0.797 30.557 ( 0.207 0.625 -0.448) 0.797 ======================= Grid point 114 (61/108) ======================= q-point: ( 0.14 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.160 ( 12.620 -11.291 6.812) 18.253 3.160 ( 12.620 11.291 6.812) 18.253 3.339 ( -5.894 -11.433 0.249) 12.866 3.339 ( -5.894 11.433 0.249) 12.866 3.716 ( 2.640 -6.717 6.364) 9.623 3.716 ( 2.640 6.717 6.364) 9.623 3.956 ( 1.344 -13.797 -2.666) 14.116 3.956 ( 1.344 13.797 -2.666) 14.116 4.184 ( 7.632 -5.260 -4.678) 10.383 4.184 ( 7.632 5.260 -4.678) 10.383 4.264 ( 2.440 -3.256 2.048) 4.555 4.264 ( 2.440 3.256 2.048) 4.555 4.780 ( 8.003 -3.008 -1.561) 8.691 4.780 ( 8.003 3.008 -1.561) 8.691 4.988 ( -1.284 -3.941 -2.704) 4.949 4.988 ( -1.284 3.941 -2.704) 4.949 5.250 ( -5.547 -3.118 1.537) 6.546 5.250 ( -5.547 3.118 1.537) 6.546 5.556 ( 1.486 -4.195 -2.194) 4.962 5.556 ( 1.486 4.195 -2.194) 4.962 5.792 ( 0.561 -4.116 3.598) 5.495 5.792 ( 0.561 4.116 3.598) 5.495 5.864 ( -6.712 -8.623 -5.976) 12.455 5.864 ( -6.712 8.623 -5.976) 12.455 6.208 ( -2.742 -5.123 -4.097) 7.110 6.208 ( -2.742 5.123 -4.097) 7.110 6.541 ( 4.165 -5.286 -0.041) 6.730 6.541 ( 4.165 5.286 -0.041) 6.730 6.754 ( 9.339 -9.709 10.907) 17.333 6.754 ( 9.339 9.709 10.907) 17.333 6.967 ( 8.009 -10.517 1.269) 13.280 6.967 ( 8.009 10.517 1.269) 13.280 7.331 ( -1.945 -7.167 3.413) 8.173 7.331 ( -1.945 7.167 3.413) 8.173 7.655 ( -3.142 -5.595 0.830) 6.471 7.655 ( -3.142 5.595 0.830) 6.471 8.127 ( -11.999 -1.820 -5.373) 13.272 8.127 ( -11.999 1.820 -5.373) 13.272 8.502 ( -8.683 -4.254 1.496) 9.784 8.502 ( -8.683 4.254 1.496) 9.784 8.971 ( -10.207 -2.101 -2.641) 10.750 8.971 ( -10.207 2.101 -2.641) 10.750 9.268 ( -2.868 -6.790 1.954) 7.626 9.268 ( -2.868 6.790 1.954) 7.626 9.708 ( 6.573 -8.745 -9.112) 14.237 9.708 ( 6.573 8.745 -9.112) 14.237 10.308 ( 4.277 -4.047 -5.105) 7.793 10.308 ( 4.277 4.047 -5.105) 7.793 11.019 ( 0.787 -11.493 7.561) 13.780 11.019 ( 0.787 11.493 7.561) 13.780 11.735 ( 2.017 -14.319 -5.716) 15.549 11.735 ( 2.017 14.319 -5.716) 15.549 12.263 ( 5.931 -12.122 7.024) 15.213 12.263 ( 5.931 12.122 7.024) 15.213 12.735 ( -1.908 -6.886 -0.044) 7.145 12.735 ( -1.908 6.886 -0.044) 7.145 13.346 ( -0.322 -4.430 -6.790) 8.114 13.346 ( -0.322 4.430 -6.790) 8.114 13.645 ( 2.505 -10.885 -1.979) 11.343 13.645 ( 2.505 10.885 -1.979) 11.343 14.144 ( 1.719 -9.748 14.283) 17.377 14.144 ( 1.719 9.748 14.283) 17.377 15.439 ( -1.590 -7.763 -7.105) 10.643 15.439 ( -1.590 7.763 -7.105) 10.643 16.016 ( -4.046 -12.453 3.518) 13.558 16.016 ( -4.046 12.453 3.518) 13.558 16.666 ( -1.757 -2.032 -2.655) 3.777 16.666 ( -1.757 2.032 -2.655) 3.777 17.079 ( -3.083 -5.978 1.024) 6.804 17.079 ( -3.083 5.978 1.024) 6.804 21.267 ( -2.692 -10.064 -0.897) 10.457 21.267 ( -2.692 10.064 -0.897) 10.457 21.599 ( 0.037 -4.823 2.397) 5.386 21.599 ( 0.037 4.823 2.397) 5.386 22.345 ( 1.019 -17.520 -8.590) 19.539 22.345 ( 1.019 17.520 -8.590) 19.539 23.921 ( 0.179 -4.034 11.532) 12.218 23.921 ( 0.179 4.034 11.532) 12.218 24.634 ( 0.291 -5.190 -6.239) 8.121 24.634 ( 0.291 5.190 -6.239) 8.121 25.717 ( -0.060 -0.826 0.185) 0.849 25.717 ( -0.060 0.826 0.185) 0.849 26.916 ( -0.096 -3.093 3.273) 4.504 26.916 ( -0.096 3.093 3.273) 4.504 27.528 ( -2.726 -9.167 1.396) 9.665 27.528 ( -2.726 9.167 1.396) 9.665 28.107 ( -1.851 -4.224 -0.937) 4.706 28.107 ( -1.851 4.224 -0.937) 4.706 28.406 ( -1.177 -2.966 0.343) 3.210 28.406 ( -1.177 2.966 0.343) 3.210 28.657 ( 2.509 -4.059 -2.126) 5.224 28.657 ( 2.509 4.059 -2.126) 5.224 28.836 ( 4.119 -9.163 -0.169) 10.048 28.836 ( 4.119 9.163 -0.169) 10.048 30.567 ( 0.677 -1.493 -0.412) 1.691 30.567 ( 0.677 1.493 -0.412) 1.691 ======================= Grid point 116 (62/108) ======================= q-point: ( 0.29 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.232 ( -3.503 -9.748 1.653) 10.490 3.232 ( -3.503 9.748 1.653) 10.490 3.426 ( 11.152 -7.852 0.285) 13.642 3.426 ( 11.152 7.852 0.285) 13.642 3.777 ( 3.544 -5.154 4.997) 8.006 3.777 ( 3.544 5.154 4.997) 8.006 3.975 ( -0.511 -12.228 -2.161) 12.429 3.975 ( -0.511 12.228 -2.161) 12.429 4.262 ( 3.085 -4.050 -2.383) 5.622 4.262 ( 3.085 4.050 -2.383) 5.622 4.431 ( 9.746 -4.670 -0.881) 10.843 4.431 ( 9.746 4.670 -0.881) 10.843 4.888 ( -3.564 -9.890 -3.708) 11.148 4.888 ( -3.564 9.890 -3.708) 11.148 4.986 ( 3.165 -9.291 2.779) 10.201 4.986 ( 3.165 9.291 2.779) 10.201 5.187 ( 3.701 -7.078 0.085) 7.988 5.187 ( 3.701 7.078 0.085) 7.988 5.572 ( -0.876 -7.093 0.096) 7.148 5.572 ( -0.876 7.093 0.096) 7.148 5.687 ( -5.393 -7.027 -6.862) 11.205 5.687 ( -5.393 7.027 -6.862) 11.205 5.838 ( 0.020 -4.593 4.262) 6.266 5.838 ( 0.020 4.593 4.263) 6.266 6.242 ( 5.560 -6.227 1.740) 8.528 6.242 ( 5.560 6.227 1.740) 8.528 6.599 ( 3.616 -5.997 1.207) 7.106 6.599 ( 3.616 5.997 1.207) 7.106 6.979 ( 8.777 -9.404 3.879) 13.436 6.979 ( 8.777 9.404 3.879) 13.436 7.071 ( -2.585 -7.199 -1.046) 7.721 7.071 ( -2.585 7.199 -1.046) 7.721 7.359 ( 10.411 -16.820 5.128) 20.435 7.359 ( 10.411 16.820 5.128) 20.435 7.597 ( -2.962 -5.203 5.041) 7.826 7.597 ( -2.962 5.203 5.041) 7.826 7.847 ( -13.170 -2.098 -5.455) 14.409 7.847 ( -13.170 2.098 -5.455) 14.409 8.327 ( -8.413 -3.776 -0.582) 9.240 8.327 ( -8.413 3.776 -0.582) 9.240 8.706 ( -14.191 -1.735 0.210) 14.298 8.706 ( -14.191 1.735 0.210) 14.298 9.128 ( -9.572 -11.232 1.168) 14.804 9.128 ( -9.572 11.232 1.168) 14.804 9.849 ( 5.306 -11.176 -15.219) 19.613 9.849 ( 5.306 11.176 -15.219) 19.613 10.394 ( 3.952 -2.721 -2.716) 5.513 10.394 ( 3.952 2.721 -2.716) 5.513 11.056 ( 2.626 -12.072 8.335) 14.903 11.056 ( 2.626 12.072 8.335) 14.903 11.761 ( 0.357 -10.563 -4.482) 11.480 11.761 ( 0.357 10.563 -4.482) 11.480 12.426 ( 9.181 -9.445 6.549) 14.710 12.426 ( 9.181 9.445 6.549) 14.710 12.699 ( -1.323 -3.263 -1.748) 3.931 12.699 ( -1.323 3.263 -1.748) 3.931 13.347 ( 0.311 -5.409 -4.259) 6.892 13.347 ( 0.311 5.409 -4.259) 6.892 13.709 ( 3.336 -10.814 -2.140) 11.517 13.709 ( 3.336 10.814 -2.140) 11.517 14.158 ( -0.571 -9.799 12.576) 15.953 14.158 ( -0.571 9.799 12.576) 15.953 15.399 ( -2.288 -5.626 -4.888) 7.796 15.399 ( -2.288 5.626 -4.888) 7.796 15.925 ( -4.062 -14.509 2.306) 15.242 15.925 ( -4.062 14.509 2.306) 15.242 16.612 ( -3.302 -2.586 -3.176) 5.261 16.612 ( -3.302 2.586 -3.176) 5.261 17.012 ( -3.000 -4.592 0.707) 5.530 17.012 ( -3.000 4.592 0.707) 5.530 21.209 ( -2.725 -7.613 -1.265) 8.185 21.209 ( -2.725 7.613 -1.265) 8.185 21.600 ( 0.069 -5.535 3.269) 6.429 21.600 ( 0.069 5.535 3.269) 6.429 22.358 ( 0.150 -17.535 -9.860) 20.117 22.358 ( 0.150 17.535 -9.860) 20.117 23.929 ( 0.525 -4.358 12.438) 13.190 23.929 ( 0.525 4.358 12.438) 13.190 24.652 ( 1.339 -5.664 -5.751) 8.182 24.652 ( 1.339 5.664 -5.751) 8.182 25.714 ( -0.212 -1.145 0.200) 1.182 25.714 ( -0.212 1.145 0.200) 1.182 26.911 ( -0.371 -2.772 2.841) 3.987 26.911 ( -0.371 2.772 2.841) 3.987 27.470 ( -2.610 -8.547 2.520) 9.285 27.470 ( -2.610 8.547 2.520) 9.285 28.081 ( -0.667 -5.061 -0.141) 5.106 28.081 ( -0.667 5.061 -0.141) 5.106 28.368 ( -1.890 -4.839 -2.497) 5.764 28.368 ( -1.890 4.839 -2.497) 5.764 28.695 ( 0.835 -2.791 0.699) 2.996 28.695 ( 0.835 2.791 0.699) 2.996 28.940 ( 5.311 -11.674 -1.960) 12.974 28.940 ( 5.311 11.674 -1.960) 12.974 30.581 ( 0.610 -2.501 -0.489) 2.620 30.581 ( 0.610 2.501 -0.489) 2.620 ======================= Grid point 118 (63/108) ======================= q-point: ( 0.43 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.199 ( 0.278 -8.509 3.595) 9.241 3.199 ( 0.278 8.509 3.595) 9.241 3.575 ( 3.196 -6.111 -3.048) 7.540 3.575 ( 3.196 6.111 -3.048) 7.540 3.813 ( -2.388 -7.224 -5.277) 9.259 3.813 ( -2.388 7.224 -5.277) 9.259 3.955 ( -0.262 -2.796 -1.022) 2.989 3.955 ( -0.262 2.796 -1.022) 2.989 4.326 ( 3.452 -11.445 1.902) 12.105 4.326 ( 3.452 11.445 1.902) 12.105 4.542 ( -1.291 -6.718 -1.119) 6.932 4.542 ( -1.291 6.718 -1.119) 6.932 4.783 ( -1.304 -9.433 -2.434) 9.829 4.783 ( -1.304 9.433 -2.434) 9.829 5.077 ( 5.362 -8.190 0.290) 9.794 5.077 ( 5.362 8.190 0.290) 9.794 5.324 ( 5.751 -8.811 1.811) 10.677 5.324 ( 5.751 8.811 1.811) 10.677 5.475 ( -6.713 -9.618 0.739) 11.752 5.475 ( -6.713 9.618 0.739) 11.752 5.705 ( 6.053 -7.363 1.519) 9.651 5.705 ( 6.053 7.363 1.519) 9.651 5.829 ( -1.062 -4.237 3.752) 5.758 5.829 ( -1.062 4.237 3.752) 5.758 6.349 ( 3.761 -8.604 2.678) 9.765 6.349 ( 3.761 8.604 2.678) 9.765 6.711 ( 5.199 -8.589 -1.918) 10.221 6.711 ( 5.199 8.589 -1.918) 10.221 6.932 ( -6.272 -4.541 -2.237) 8.060 6.932 ( -6.272 4.541 -2.237) 8.060 7.082 ( 0.412 -3.979 1.540) 4.286 7.082 ( 0.412 3.979 1.540) 4.286 7.465 ( -2.251 -3.576 -0.472) 4.252 7.465 ( -2.251 3.576 -0.472) 4.252 7.581 ( -2.617 -3.975 6.667) 8.192 7.581 ( -2.617 3.975 6.667) 8.192 7.814 ( 13.107 -7.879 1.616) 15.378 7.814 ( 13.107 7.879 1.616) 15.378 8.160 ( -6.977 -2.905 -3.186) 8.202 8.160 ( -6.977 2.905 -3.186) 8.202 8.460 ( -8.289 -1.567 7.906) 11.562 8.460 ( -8.289 1.567 7.906) 11.562 8.937 ( -7.629 -14.970 -3.695) 17.203 8.937 ( -7.629 14.970 -3.695) 17.203 9.910 ( 1.254 -8.072 -19.413) 21.061 9.910 ( 1.254 8.072 -19.413) 21.061 10.450 ( 1.139 -3.745 -0.603) 3.960 10.450 ( 1.139 3.745 -0.603) 3.960 11.107 ( 1.849 -12.042 9.077) 15.193 11.107 ( 1.849 12.042 9.077) 15.193 11.755 ( -0.682 -10.156 -3.339) 10.712 11.755 ( -0.682 10.156 -3.339) 10.712 12.576 ( 3.797 -9.335 2.923) 10.493 12.576 ( 3.797 9.335 2.923) 10.493 12.695 ( 1.382 -1.426 -0.410) 2.028 12.695 ( 1.382 1.426 -0.410) 2.028 13.357 ( 0.781 -5.972 -2.462) 6.506 13.357 ( 0.781 5.972 -2.462) 6.506 13.762 ( 1.607 -11.315 -2.233) 11.645 13.762 ( 1.607 11.315 -2.233) 11.645 14.122 ( -2.592 -9.515 10.772) 14.605 14.122 ( -2.592 9.515 10.772) 14.605 15.362 ( -0.771 -3.038 -1.934) 3.683 15.362 ( -0.771 3.038 -1.934) 3.683 15.871 ( -1.274 -14.186 0.757) 14.263 15.871 ( -1.274 14.186 0.757) 14.263 16.551 ( -2.118 -3.693 -3.826) 5.724 16.551 ( -2.118 3.693 -3.826) 5.724 16.970 ( -1.006 -3.154 0.576) 3.360 16.970 ( -1.006 3.154 0.576) 3.360 21.171 ( -0.712 -5.498 -1.138) 5.660 21.171 ( -0.712 5.498 -1.138) 5.660 21.602 ( 0.171 -6.681 3.894) 7.735 21.602 ( 0.171 6.681 3.894) 7.735 22.349 ( -0.906 -18.430 -11.185) 21.578 22.349 ( -0.906 18.430 -11.185) 21.578 23.941 ( 0.565 -4.637 13.037) 13.849 23.941 ( 0.565 4.637 13.037) 13.849 24.681 ( 1.263 -6.679 -5.063) 8.476 24.681 ( 1.263 6.679 -5.063) 8.476 25.710 ( -0.234 -1.606 0.206) 1.636 25.710 ( -0.234 1.606 0.206) 1.636 26.903 ( -0.330 -2.573 2.429) 3.553 26.903 ( -0.330 2.573 2.429) 3.553 27.435 ( -0.643 -7.806 3.687) 8.656 27.435 ( -0.643 7.806 3.687) 8.656 28.078 ( 0.241 -4.448 0.592) 4.493 28.078 ( 0.241 4.448 0.592) 4.493 28.337 ( -1.133 -5.990 -5.102) 7.949 28.337 ( -1.133 5.990 -5.102) 7.949 28.687 ( -1.616 -1.576 1.320) 2.614 28.687 ( -1.616 1.576 1.320) 2.614 29.033 ( 3.615 -12.671 -1.735) 13.290 29.033 ( 3.615 12.671 -1.735) 13.290 30.588 ( 0.033 -2.826 -0.648) 2.899 30.588 ( 0.033 2.826 -0.648) 2.899 ======================= Grid point 120 (64/108) ======================= q-point: (-0.43 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.240 ( 3.469 -11.346 5.516) 13.084 3.240 ( 3.469 11.346 5.516) 13.084 3.517 ( -9.728 -10.206 -4.186) 14.708 3.517 ( -9.728 10.206 -4.186) 14.708 3.733 ( -2.698 -6.488 -5.867) 9.153 3.733 ( -2.698 6.488 -5.867) 9.153 3.933 ( -2.427 -1.580 -2.735) 3.983 3.933 ( -2.427 1.580 -2.735) 3.983 4.382 ( -1.280 -6.332 1.545) 6.642 4.382 ( -1.280 6.332 1.545) 6.642 4.487 ( 1.279 -6.945 -1.323) 7.185 4.487 ( 1.279 6.945 -1.323) 7.185 4.795 ( -0.128 -4.288 -1.813) 4.658 4.795 ( -0.128 4.288 -1.813) 4.658 5.137 ( -1.865 -14.467 -1.367) 14.651 5.137 ( -1.865 14.467 -1.367) 14.651 5.365 ( -2.940 -9.396 3.786) 10.548 5.365 ( -2.940 9.396 3.786) 10.548 5.409 ( 4.482 -10.757 1.458) 11.744 5.409 ( 4.482 10.757 1.458) 11.744 5.757 ( -4.164 -4.301 0.598) 6.017 5.757 ( -4.164 4.301 0.598) 6.017 5.891 ( 8.611 -7.527 7.344) 13.592 5.891 ( 8.611 7.527 7.344) 13.592 6.335 ( -5.786 -5.103 1.241) 7.814 6.335 ( -5.786 5.103 1.241) 7.814 6.752 ( -0.495 -4.407 -4.139) 6.066 6.752 ( -0.495 4.407 -4.139) 6.066 6.870 ( 0.025 -6.338 -3.869) 7.426 6.870 ( 0.025 6.338 -3.869) 7.426 7.084 ( 0.782 -2.322 6.429) 6.880 7.084 ( 0.782 2.322 6.429) 6.880 7.353 ( -8.795 -1.435 -2.583) 9.278 7.353 ( -8.795 1.435 -2.583) 9.278 7.600 ( 4.754 -4.664 6.538) 9.333 7.600 ( 4.754 4.664 6.538) 9.333 7.938 ( -2.095 -1.215 1.468) 2.832 7.938 ( -2.095 1.215 1.468) 2.832 8.159 ( 5.505 -2.835 -0.019) 6.192 8.159 ( 5.505 2.835 -0.019) 6.192 8.470 ( 10.611 -8.934 8.755) 16.403 8.470 ( 10.611 8.934 8.755) 16.403 8.877 ( 2.205 -17.689 -8.365) 19.691 8.877 ( 2.205 17.689 -8.365) 19.691 9.918 ( -0.248 -5.152 -18.316) 19.028 9.918 ( -0.248 5.152 -18.316) 19.028 10.430 ( -3.101 -5.728 -0.749) 6.557 10.430 ( -3.101 5.728 -0.749) 6.557 11.117 ( -0.864 -12.211 9.434) 15.455 11.117 ( -0.864 12.211 9.434) 15.455 11.741 ( -0.632 -11.646 -3.710) 12.239 11.741 ( -0.632 11.646 -3.710) 12.239 12.552 ( -5.389 -2.892 0.350) 6.126 12.552 ( -5.389 2.892 0.350) 6.126 12.738 ( 1.788 -6.540 2.088) 7.095 12.738 ( 1.788 6.540 2.088) 7.095 13.380 ( 1.408 -5.902 -1.796) 6.328 13.380 ( 1.408 5.902 -1.796) 6.328 13.767 ( -1.175 -11.461 -2.511) 11.792 13.767 ( -1.175 11.461 -2.511) 11.792 14.073 ( -1.915 -9.252 9.849) 13.648 14.073 ( -1.915 9.252 9.849) 13.648 15.380 ( 2.465 -3.727 -1.232) 4.635 15.380 ( 2.465 3.727 -1.232) 4.635 15.868 ( 0.958 -13.216 0.718) 13.270 15.868 ( 0.958 13.216 0.718) 13.270 16.545 ( 1.616 -4.512 -4.000) 6.243 16.545 ( 1.616 4.512 -4.000) 6.243 16.971 ( 1.020 -2.813 0.577) 3.047 16.971 ( 1.020 2.813 0.577) 3.047 21.185 ( 2.041 -4.375 -0.903) 4.912 21.185 ( 2.041 4.375 -0.903) 4.912 21.604 ( -0.067 -7.854 4.102) 8.861 21.604 ( -0.067 7.854 4.102) 8.861 22.326 ( -1.156 -19.078 -11.552) 22.333 22.326 ( -1.156 19.078 -11.552) 22.333 23.948 ( 0.127 -4.721 12.786) 13.631 23.948 ( 0.127 4.721 12.786) 13.631 24.696 ( 0.211 -7.615 -4.561) 8.879 24.696 ( 0.211 7.615 -4.561) 8.879 25.707 ( -0.032 -1.727 0.139) 1.732 25.707 ( -0.032 1.727 0.139) 1.732 26.900 ( 0.013 -2.660 2.339) 3.542 26.900 ( 0.013 2.660 2.339) 3.542 27.447 ( 1.749 -7.566 4.156) 8.808 27.447 ( 1.749 7.566 4.156) 8.808 28.087 ( 0.759 -4.483 0.899) 4.635 28.087 ( 0.759 4.483 0.899) 4.635 28.321 ( -0.654 -7.320 -5.872) 9.406 28.321 ( -0.654 7.320 -5.872) 9.406 28.638 ( -2.747 -2.779 0.268) 3.917 28.638 ( -2.747 2.779 0.268) 3.917 29.078 ( 0.477 -12.919 -0.637) 12.944 29.078 ( 0.477 12.919 -0.637) 12.944 30.582 ( -0.524 -2.478 -0.762) 2.645 30.582 ( -0.524 2.478 -0.762) 2.645 ======================= Grid point 122 (65/108) ======================= q-point: (-0.29 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.232 ( -11.782 -6.705 0.334) 13.561 3.232 ( -11.783 6.705 0.334) 13.561 3.358 ( 3.533 -5.582 3.804) 7.623 3.358 ( 3.533 5.582 3.804) 7.623 3.686 ( -2.438 -7.801 -0.044) 8.173 3.686 ( -2.438 7.801 -0.044) 8.173 3.882 ( -2.042 -5.399 -4.879) 7.557 3.882 ( -2.042 5.399 -4.879) 7.557 4.289 ( -6.012 -6.459 -1.749) 8.996 4.289 ( -6.012 6.459 -1.749) 8.996 4.511 ( -3.402 -2.433 1.396) 4.409 4.511 ( -3.402 2.433 1.396) 4.409 4.796 ( 1.673 -6.525 -5.668) 8.803 4.796 ( 1.673 6.525 -5.668) 8.803 5.051 ( -3.837 -10.789 1.065) 11.500 5.051 ( -3.837 10.788 1.065) 11.500 5.296 ( -4.156 -8.780 6.379) 11.622 5.296 ( -4.156 8.780 6.379) 11.622 5.540 ( 5.747 -7.283 -0.185) 9.279 5.540 ( 5.747 7.283 -0.185) 9.279 5.678 ( -1.704 -1.983 -3.998) 4.777 5.678 ( -1.704 1.983 -3.998) 4.777 5.949 ( -3.471 -5.220 1.562) 6.460 5.949 ( -3.471 5.220 1.562) 6.460 6.306 ( 5.465 -3.721 6.563) 9.316 6.306 ( 5.465 3.721 6.563) 9.316 6.646 ( -8.163 -9.650 -7.048) 14.472 6.646 ( -8.163 9.650 -7.048) 14.472 6.816 ( -7.567 -8.605 3.816) 12.077 6.816 ( -7.567 8.605 3.816) 12.077 7.081 ( -2.136 -6.895 2.611) 7.676 7.081 ( -2.136 6.895 2.611) 7.676 7.316 ( 3.327 -5.968 1.811) 7.069 7.316 ( 3.327 5.968 1.811) 7.069 7.582 ( -3.223 -0.850 5.095) 6.089 7.582 ( -3.223 0.850 5.095) 6.089 8.009 ( 9.717 -1.024 0.429) 9.780 8.009 ( 9.717 1.024 0.429) 9.780 8.326 ( 10.950 -4.720 2.393) 12.162 8.326 ( 10.950 4.720 2.393) 12.162 8.717 ( 10.084 -12.683 -3.517) 16.581 8.717 ( 10.084 12.683 -3.517) 16.581 9.003 ( 9.234 -12.483 -3.804) 15.986 9.003 ( 9.234 12.483 -3.804) 15.986 9.895 ( -2.372 -3.870 -12.735) 13.520 9.895 ( -2.372 3.870 -12.735) 13.520 10.339 ( -5.273 -7.772 -2.528) 9.726 10.339 ( -5.273 7.772 -2.528) 9.726 11.081 ( -2.372 -12.007 9.106) 15.255 11.081 ( -2.372 12.007 9.106) 15.255 11.725 ( -1.056 -14.062 -5.224) 15.038 11.725 ( -1.056 14.062 -5.224) 15.038 12.397 ( -8.553 -4.076 2.293) 9.749 12.397 ( -8.553 4.076 2.293) 9.749 12.762 ( 0.747 -8.346 2.238) 8.673 12.762 ( 0.747 8.346 2.238) 8.673 13.402 ( 0.410 -6.133 -2.896) 6.795 13.402 ( 0.410 6.133 -2.896) 6.795 13.721 ( -3.071 -11.546 -3.321) 12.401 13.721 ( -3.071 11.546 -3.321) 12.401 14.051 ( -0.280 -9.467 11.087) 14.581 14.051 ( -0.280 9.467 11.087) 14.581 15.438 ( 2.544 -6.094 -3.426) 7.439 15.438 ( 2.544 6.094 -3.426) 7.439 15.916 ( 3.798 -12.907 2.223) 13.637 15.916 ( 3.798 12.907 2.223) 13.637 16.602 ( 3.378 -4.066 -3.476) 6.327 16.602 ( 3.378 4.066 -3.476) 6.327 17.011 ( 2.942 -3.777 0.697) 4.838 17.011 ( 2.942 3.777 0.697) 4.838 21.243 ( 3.299 -4.787 -0.725) 5.859 21.243 ( 3.299 4.787 -0.725) 5.859 21.599 ( -0.405 -8.258 3.629) 9.029 21.599 ( -0.405 8.258 3.629) 9.029 22.308 ( -0.500 -19.150 -10.615) 21.901 22.308 ( -0.500 19.150 -10.615) 21.901 23.945 ( -0.474 -5.066 11.851) 12.897 23.945 ( -0.474 5.066 11.851) 12.897 24.689 ( -0.876 -7.909 -4.569) 9.176 24.689 ( -0.876 7.909 -4.569) 9.176 25.708 ( 0.199 -1.349 0.065) 1.365 25.708 ( 0.199 1.349 0.065) 1.365 26.903 ( 0.274 -2.926 2.618) 3.935 26.903 ( 0.274 2.926 2.618) 3.935 27.499 ( 3.063 -8.190 3.694) 9.492 27.499 ( 3.063 8.190 3.694) 9.492 28.117 ( 2.403 -4.829 0.623) 5.430 28.117 ( 2.403 4.829 0.623) 5.430 28.299 ( -1.730 -7.694 -4.454) 9.057 28.299 ( -1.730 7.694 -4.454) 9.057 28.596 ( -0.959 -5.418 -1.431) 5.685 28.596 ( -0.959 5.418 -1.431) 5.685 29.044 ( -3.860 -12.195 0.296) 12.795 29.044 ( -3.860 12.195 0.296) 12.795 30.569 ( -0.653 -1.717 -0.721) 1.973 30.569 ( -0.653 1.717 -0.721) 1.973 ======================= Grid point 124 (66/108) ======================= q-point: (-0.14 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.012 ( -7.453 -2.156 4.367) 8.904 3.012 ( -7.453 2.156 4.367) 8.904 3.446 ( 2.831 -13.512 3.129) 14.155 3.446 ( 2.831 13.512 3.129) 14.155 3.659 ( 0.464 -9.023 2.898) 9.488 3.659 ( 0.464 9.023 2.898) 9.488 3.859 ( 0.286 -5.819 -2.446) 6.318 3.859 ( 0.286 5.819 -2.446) 6.318 4.152 ( -7.010 -6.271 -3.813) 10.149 4.152 ( -7.010 6.271 -3.813) 10.149 4.386 ( -6.430 -2.276 0.937) 6.885 4.386 ( -6.430 2.276 0.937) 6.885 4.773 ( -4.792 -9.734 -2.928) 11.238 4.773 ( -4.792 9.734 -2.928) 11.238 5.044 ( 1.094 -16.729 -4.831) 17.447 5.044 ( 1.094 16.729 -4.831) 17.447 5.229 ( -0.157 -5.312 8.551) 10.068 5.229 ( -0.157 5.312 8.551) 10.068 5.572 ( -0.564 -7.312 -4.395) 8.550 5.572 ( -0.564 7.312 -4.395) 8.550 5.721 ( 2.575 -3.440 3.375) 5.464 5.721 ( 2.575 3.440 3.375) 5.464 5.916 ( 2.652 -5.559 -5.121) 8.010 5.916 ( 2.652 5.559 -5.121) 8.010 6.391 ( -4.542 -4.975 -3.268) 7.487 6.391 ( -4.542 4.975 -3.268) 7.487 6.509 ( 1.020 -10.268 3.131) 10.783 6.509 ( 1.020 10.268 3.131) 10.783 6.648 ( -7.327 -6.989 2.437) 10.415 6.648 ( -7.327 6.989 2.437) 10.415 7.031 ( -5.526 -17.206 9.207) 20.282 7.031 ( -5.526 17.206 9.207) 20.282 7.259 ( -1.809 -1.524 -0.790) 2.494 7.259 ( -1.809 1.524 -0.790) 2.494 7.659 ( 5.616 -1.077 1.315) 5.868 7.659 ( 5.616 1.077 1.315) 5.868 8.227 ( 9.237 -0.605 -0.224) 9.259 8.227 ( 9.237 0.605 -0.224) 9.259 8.546 ( 9.076 -3.730 4.463) 10.780 8.546 ( 9.076 3.730 4.463) 10.780 8.864 ( 6.123 -14.345 -11.911) 19.625 8.864 ( 6.123 14.345 -11.911) 19.625 9.185 ( 6.902 -4.835 0.958) 8.481 9.185 ( 6.902 4.835 0.958) 8.481 9.811 ( -5.736 -5.427 -5.822) 9.811 9.811 ( -5.736 5.427 -5.822) 9.811 10.247 ( -3.057 -8.183 -5.138) 10.134 10.247 ( -3.057 8.183 -5.138) 10.134 11.038 ( -1.602 -11.118 8.192) 13.903 11.038 ( -1.602 11.118 8.192) 13.903 11.700 ( -1.073 -16.990 -6.246) 18.134 11.700 ( -1.073 16.990 -6.246) 18.134 12.252 ( -5.108 -10.017 4.296) 12.037 12.252 ( -5.108 10.017 4.296) 12.037 12.771 ( 0.158 -8.704 2.328) 9.011 12.771 ( 0.158 8.704 2.328) 9.011 13.392 ( -1.264 -6.120 -5.886) 8.585 13.392 ( -1.264 6.120 -5.886) 8.585 13.657 ( -2.819 -12.012 -3.206) 12.748 13.657 ( -2.819 12.012 -3.206) 12.748 14.062 ( 1.322 -9.728 13.532) 16.718 14.062 ( 1.322 9.728 13.532) 16.718 15.469 ( 0.455 -7.882 -6.027) 9.933 15.469 ( 0.455 7.882 -6.027) 9.933 16.006 ( 4.317 -11.684 3.440) 12.922 16.006 ( 4.317 11.684 3.440) 12.922 16.660 ( 2.064 -2.891 -2.816) 4.532 16.660 ( 2.064 2.891 -2.816) 4.532 17.078 ( 3.090 -5.257 1.002) 6.179 17.078 ( 3.090 5.257 1.002) 6.179 21.299 ( 1.753 -7.647 -0.414) 7.856 21.299 ( 1.753 7.647 -0.414) 7.856 21.593 ( -0.077 -6.623 2.538) 7.093 21.593 ( -0.077 6.623 2.538) 7.093 22.307 ( 0.407 -18.963 -9.121) 21.047 22.307 ( 0.407 18.963 -9.121) 21.047 23.932 ( -0.668 -5.250 11.022) 12.227 23.932 ( -0.668 5.250 11.022) 12.227 24.665 ( -1.315 -7.124 -5.226) 8.932 24.665 ( -1.315 7.124 -5.226) 8.932 25.713 ( 0.233 -0.777 0.093) 0.817 25.713 ( 0.233 0.777 0.093) 0.817 26.909 ( 0.315 -3.177 3.073) 4.431 26.909 ( 0.315 3.177 3.073) 4.431 27.553 ( 1.896 -9.145 2.444) 9.654 27.553 ( 1.896 9.145 2.444) 9.654 28.178 ( 1.854 -2.282 -0.218) 2.948 28.178 ( 1.854 2.282 -0.218) 2.948 28.270 ( 0.993 -2.456 -2.317) 3.519 28.270 ( 0.993 2.456 -2.317) 3.519 28.601 ( 1.107 -4.862 -2.219) 5.458 28.601 ( 1.107 4.862 -2.219) 5.458 28.930 ( -6.737 -10.625 0.881) 12.612 28.930 ( -6.737 10.625 0.881) 12.612 30.559 ( -0.349 -0.944 -0.571) 1.157 30.559 ( -0.349 0.944 -0.571) 1.157 ======================= Grid point 154 (67/108) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( -7.168 0.000 39.542) 40.186 1.790 ( -10.402 0.000 41.832) 43.106 2.417 ( 6.540 0.000 -33.827) 34.453 2.551 ( 16.170 0.000 -31.742) 35.623 2.685 ( 11.060 0.000 43.576) 44.957 3.234 ( -7.988 0.000 -11.865) 14.303 3.729 ( -4.344 0.000 3.879) 5.824 3.769 ( 0.119 0.000 2.402) 2.405 4.170 ( 2.842 0.000 3.737) 4.695 4.177 ( 4.857 0.000 -1.745) 5.161 4.353 ( -5.185 0.000 -3.455) 6.230 4.440 ( -0.164 0.000 2.318) 2.324 4.758 ( 0.180 0.000 -5.714) 5.716 4.764 ( 3.133 0.000 -11.410) 11.832 4.965 ( -0.911 0.000 1.563) 1.809 5.041 ( -4.434 0.000 -8.404) 9.502 5.208 ( 1.337 0.000 4.296) 4.499 5.260 ( -5.528 0.000 0.474) 5.548 5.438 ( -0.937 0.000 6.500) 6.567 5.591 ( -2.703 0.000 -5.858) 6.452 5.698 ( -0.790 0.000 -1.588) 1.774 5.699 ( 4.570 0.000 -0.654) 4.617 5.857 ( 2.314 0.000 -0.976) 2.511 5.882 ( -3.131 0.000 -4.291) 5.312 6.071 ( -1.683 0.000 1.689) 2.385 6.112 ( 0.266 0.000 -0.599) 0.656 6.293 ( -4.282 0.000 9.936) 10.820 6.485 ( -4.713 0.000 -2.897) 5.532 6.604 ( 2.745 0.000 -2.628) 3.800 6.610 ( 0.473 0.000 3.068) 3.104 6.919 ( 3.073 0.000 -1.037) 3.243 6.920 ( 1.080 0.000 -1.485) 1.836 7.209 ( -2.339 0.000 1.254) 2.654 7.264 ( 3.401 0.000 -2.449) 4.191 7.639 ( 4.111 0.000 2.435) 4.778 7.674 ( 0.287 0.000 -0.729) 0.784 8.217 ( -6.825 0.000 0.687) 6.859 8.255 ( 3.421 0.000 -3.304) 4.756 8.478 ( 3.339 0.000 0.969) 3.477 8.492 ( -4.302 0.000 0.436) 4.324 8.567 ( 1.157 0.000 6.406) 6.509 8.705 ( -3.109 0.000 -6.595) 7.291 8.754 ( 8.824 0.000 12.445) 15.256 9.070 ( -8.080 0.000 -17.963) 19.696 9.453 ( 6.626 0.000 6.662) 9.396 9.493 ( 0.172 0.000 4.239) 4.242 9.739 ( 1.057 0.000 4.461) 4.585 9.923 ( -4.026 0.000 -10.654) 11.390 10.881 ( -1.438 0.000 9.554) 9.661 11.059 ( 1.787 0.000 -8.467) 8.654 11.578 ( -1.717 0.000 1.803) 2.489 11.649 ( 2.237 0.000 -5.736) 6.157 12.595 ( -3.617 0.000 2.552) 4.427 12.629 ( 3.324 0.000 -0.677) 3.392 13.048 ( 0.336 0.000 3.433) 3.450 13.138 ( -1.358 0.000 -4.627) 4.822 13.802 ( 2.313 0.000 7.858) 8.191 13.874 ( -2.225 0.000 -1.169) 2.513 14.363 ( -0.569 0.000 -0.962) 1.118 14.366 ( 3.777 0.000 -2.594) 4.582 14.851 ( -8.594 0.000 7.134) 11.169 14.990 ( 3.958 0.000 -6.380) 7.508 15.645 ( -1.452 0.000 11.008) 11.103 15.893 ( 0.588 0.000 -12.916) 12.930 15.954 ( -0.435 0.000 19.433) 19.437 16.338 ( 0.993 0.000 -17.456) 17.484 16.651 ( -0.451 0.000 7.775) 7.788 16.736 ( 0.221 0.000 -1.741) 1.755 17.106 ( 2.483 0.000 6.612) 7.063 17.329 ( -2.847 0.000 -13.473) 13.770 20.626 ( -6.769 0.000 7.969) 10.456 20.853 ( 4.020 0.000 -14.075) 14.638 21.345 ( 1.643 0.000 5.358) 5.605 21.463 ( -4.141 0.000 -6.025) 7.311 22.291 ( -3.463 0.000 14.819) 15.218 22.567 ( 6.888 0.000 -12.547) 14.314 23.680 ( 2.147 0.000 11.493) 11.691 23.905 ( -0.380 0.000 -10.444) 10.451 24.206 ( 9.903 0.000 20.284) 22.573 24.559 ( -8.747 0.000 -13.777) 16.319 26.468 ( -2.948 0.000 3.678) 4.714 26.503 ( 4.863 0.000 -0.760) 4.923 26.624 ( -10.647 0.000 0.776) 10.675 26.692 ( 0.764 0.000 -4.621) 4.684 26.998 ( -0.429 0.000 2.429) 2.467 27.028 ( -0.488 0.000 -0.210) 0.531 27.242 ( -5.085 0.000 1.689) 5.358 27.316 ( 6.140 0.000 -6.053) 8.622 28.091 ( -3.136 0.000 7.334) 7.976 28.240 ( 7.650 0.000 -5.419) 9.375 28.331 ( -7.560 0.000 4.119) 8.609 28.453 ( 1.639 0.000 -6.118) 6.333 29.285 ( -9.576 0.000 15.954) 18.608 29.624 ( 14.149 0.000 -17.312) 22.359 30.670 ( 5.791 0.000 5.493) 7.981 30.747 ( -0.545 0.000 -2.353) 2.416 ======================= Grid point 155 (68/108) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 6.244 0.000 27.201) 27.909 1.770 ( 17.070 0.000 33.293) 37.414 2.544 ( -6.960 0.000 -32.321) 33.062 2.714 ( 21.198 0.000 -32.500) 38.802 3.303 ( 39.909 0.000 35.329) 53.300 3.609 ( 31.323 0.000 0.879) 31.335 3.749 ( 7.217 0.000 -3.578) 8.055 3.772 ( -1.256 0.000 4.994) 5.149 4.248 ( 1.927 0.000 8.087) 8.314 4.270 ( 2.031 0.000 -5.521) 5.883 4.350 ( 7.326 0.000 -12.791) 14.740 4.419 ( 0.837 0.000 7.426) 7.473 4.785 ( 2.580 0.000 -4.270) 4.989 4.832 ( 1.291 0.000 -11.697) 11.768 4.925 ( -8.996 0.000 1.785) 9.172 5.015 ( 1.673 0.000 -7.589) 7.771 5.145 ( -6.126 0.000 2.559) 6.639 5.171 ( 3.721 0.000 2.911) 4.724 5.473 ( 6.004 0.000 14.684) 15.864 5.581 ( 1.369 0.000 -3.120) 3.407 5.698 ( -0.647 0.000 -3.595) 3.653 5.789 ( 2.899 0.000 0.796) 3.006 5.835 ( -10.814 0.000 5.405) 12.090 5.839 ( 0.195 0.000 -1.061) 1.078 5.967 ( -6.778 0.000 5.182) 8.532 6.073 ( -4.985 0.000 6.837) 8.461 6.125 ( -7.122 0.000 7.211) 10.135 6.359 ( -2.708 0.000 0.270) 2.721 6.559 ( 1.028 0.000 5.355) 5.452 6.702 ( 6.358 0.000 -11.373) 13.030 6.922 ( -0.780 0.000 -7.888) 7.927 6.981 ( 3.167 0.000 0.857) 3.281 7.174 ( -0.380 0.000 0.534) 0.656 7.259 ( -5.318 0.000 -3.337) 6.278 7.602 ( -3.092 0.000 -0.970) 3.241 7.668 ( -1.928 0.000 -1.709) 2.577 8.104 ( -6.303 0.000 2.239) 6.689 8.175 ( -12.985 0.000 -1.536) 13.075 8.418 ( -5.620 0.000 3.491) 6.616 8.491 ( -8.135 0.000 1.192) 8.222 8.503 ( -8.157 0.000 -1.248) 8.252 8.592 ( -0.713 0.000 -4.312) 4.370 8.846 ( -0.592 0.000 13.107) 13.120 8.948 ( -2.774 0.000 -17.516) 17.734 9.434 ( -5.764 0.000 -3.803) 6.906 9.562 ( 2.998 0.000 2.657) 4.006 9.830 ( 7.204 0.000 10.466) 12.706 9.839 ( -4.683 0.000 -10.880) 11.845 10.918 ( 5.018 0.000 9.635) 10.863 11.150 ( 6.144 0.000 -8.537) 10.518 11.553 ( -0.663 0.000 -0.572) 0.876 11.679 ( 0.567 0.000 -5.479) 5.508 12.534 ( -1.617 0.000 1.628) 2.295 12.636 ( -3.068 0.000 2.708) 4.092 13.066 ( 1.336 0.000 4.650) 4.838 13.126 ( 0.620 0.000 -3.649) 3.701 13.844 ( 1.479 0.000 8.450) 8.578 13.847 ( -0.532 0.000 -2.253) 2.315 14.364 ( 1.825 0.000 -5.422) 5.721 14.432 ( 2.308 0.000 -4.697) 5.234 14.645 ( -9.257 0.000 13.124) 16.060 15.019 ( -1.009 0.000 -4.990) 5.091 15.607 ( -2.161 0.000 12.419) 12.605 15.891 ( -5.011 0.000 18.796) 19.452 15.900 ( 0.234 0.000 -12.258) 12.261 16.287 ( -5.291 0.000 -17.596) 18.374 16.633 ( -1.269 0.000 7.968) 8.068 16.740 ( 0.193 0.000 -1.433) 1.446 17.119 ( -1.221 0.000 5.873) 5.999 17.222 ( -5.389 0.000 -10.652) 11.938 20.553 ( -0.239 0.000 9.294) 9.297 20.946 ( 4.433 0.000 -11.437) 12.266 21.337 ( -3.250 0.000 4.478) 5.534 21.346 ( -6.169 0.000 -0.809) 6.222 22.240 ( -0.812 0.000 11.390) 11.419 22.630 ( 0.223 0.000 -11.932) 11.934 23.678 ( -1.467 0.000 11.225) 11.320 23.882 ( -1.475 0.000 -12.059) 12.149 24.388 ( 4.546 0.000 21.178) 21.661 24.438 ( -2.178 0.000 -13.866) 14.036 26.256 ( -11.472 0.000 5.500) 12.722 26.505 ( -1.225 0.000 8.072) 8.165 26.533 ( -1.666 0.000 1.295) 2.110 26.675 ( -1.979 0.000 -4.025) 4.485 27.004 ( 0.711 0.000 3.113) 3.193 27.024 ( 0.178 0.000 -0.029) 0.181 27.194 ( 0.388 0.000 -0.964) 1.039 27.413 ( 2.244 0.000 -4.532) 5.057 27.972 ( -6.053 0.000 7.083) 9.317 28.099 ( -10.713 0.000 0.611) 10.731 28.403 ( 4.269 0.000 -4.814) 6.434 28.449 ( -2.344 0.000 -1.126) 2.601 29.266 ( 7.784 0.000 16.900) 18.606 30.003 ( 18.133 0.000 -21.017) 27.758 30.789 ( 4.014 0.000 -2.233) 4.593 30.907 ( 12.334 0.000 -10.884) 16.449 ======================= Grid point 156 (69/108) ======================= q-point: ( 0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 27.947 0.000 3.280) 28.139 2.260 ( 28.365 0.000 20.380) 34.927 2.518 ( 5.255 0.000 -21.368) 22.004 3.227 ( 28.245 0.000 -26.392) 38.656 3.610 ( -9.902 0.000 9.082) 13.436 3.792 ( -2.066 0.000 -1.788) 2.732 4.129 ( 25.121 0.000 5.763) 25.773 4.178 ( 2.146 0.000 19.420) 19.538 4.213 ( 9.563 0.000 -0.844) 9.601 4.266 ( 2.001 0.000 6.771) 7.060 4.469 ( -0.015 0.000 -7.026) 7.026 4.630 ( -6.387 0.000 2.784) 6.967 4.658 ( 4.575 0.000 2.086) 5.028 4.716 ( 4.257 0.000 -5.167) 6.694 4.921 ( 3.206 0.000 0.740) 3.290 5.000 ( -2.791 0.000 0.356) 2.814 5.148 ( 5.959 0.000 -21.199) 22.021 5.352 ( 10.289 0.000 10.813) 14.926 5.498 ( -6.138 0.000 13.062) 14.433 5.559 ( -4.852 0.000 -0.151) 4.854 5.692 ( -0.683 0.000 1.181) 1.365 5.745 ( 18.204 0.000 9.304) 20.443 5.827 ( 1.523 0.000 1.081) 1.868 5.895 ( 1.945 0.000 12.854) 13.000 5.906 ( -0.602 0.000 1.626) 1.734 6.018 ( 5.814 0.000 5.573) 8.054 6.117 ( 3.821 0.000 3.519) 5.195 6.452 ( 10.734 0.000 -9.732) 14.489 6.620 ( 2.686 0.000 4.355) 5.116 6.720 ( -3.799 0.000 -11.186) 11.814 7.048 ( 12.242 0.000 -13.302) 18.078 7.048 ( 3.244 0.000 2.098) 3.863 7.142 ( -2.975 0.000 -2.098) 3.640 7.199 ( 2.496 0.000 -1.906) 3.140 7.525 ( -12.181 0.000 -4.826) 13.102 7.564 ( -2.703 0.000 -3.105) 4.117 7.851 ( -14.689 0.000 -6.369) 16.011 7.859 ( -22.190 0.000 5.575) 22.880 8.016 ( -22.104 0.000 5.379) 22.749 8.206 ( -17.429 0.000 3.323) 17.743 8.420 ( -6.464 0.000 4.213) 7.715 8.596 ( -2.544 0.000 -5.304) 5.883 8.780 ( -4.593 0.000 14.362) 15.078 8.897 ( -3.546 0.000 -18.758) 19.090 9.301 ( -5.757 0.000 -7.229) 9.241 9.533 ( -6.221 0.000 1.710) 6.452 9.788 ( 2.100 0.000 -10.429) 10.638 9.953 ( 3.400 0.000 11.626) 12.113 11.051 ( 6.766 0.000 10.339) 12.357 11.260 ( 3.948 0.000 -6.539) 7.638 11.547 ( 0.124 0.000 -4.740) 4.742 11.668 ( -1.592 0.000 -5.094) 5.337 12.546 ( 2.651 0.000 0.924) 2.807 12.566 ( -1.923 0.000 5.494) 5.821 13.094 ( 1.129 0.000 5.549) 5.663 13.160 ( 2.234 0.000 -3.792) 4.401 13.846 ( 0.375 0.000 -3.554) 3.574 13.846 ( -1.549 0.000 9.166) 9.296 14.455 ( 4.798 0.000 -8.280) 9.569 14.457 ( 0.383 0.000 -6.301) 6.313 14.519 ( -1.895 0.000 12.795) 12.935 14.962 ( -4.239 0.000 -5.911) 7.274 15.569 ( -1.275 0.000 13.972) 14.030 15.788 ( -4.521 0.000 18.891) 19.425 15.903 ( -0.034 0.000 -11.906) 11.906 16.168 ( -5.501 0.000 -18.276) 19.086 16.607 ( -1.108 0.000 8.821) 8.890 16.742 ( -0.054 0.000 -2.008) 2.009 17.080 ( -2.110 0.000 3.298) 3.916 17.146 ( -2.291 0.000 -8.250) 8.562 20.592 ( 3.427 0.000 7.927) 8.636 21.016 ( 2.326 0.000 -10.310) 10.569 21.215 ( -7.623 0.000 0.725) 7.657 21.230 ( -5.153 0.000 2.161) 5.587 22.272 ( 3.493 0.000 8.837) 9.502 22.608 ( -2.001 0.000 -7.541) 7.802 23.649 ( -1.083 0.000 11.378) 11.430 23.861 ( -0.494 0.000 -12.267) 12.277 24.394 ( -2.399 0.000 22.794) 22.920 24.460 ( 3.537 0.000 -11.563) 12.091 26.147 ( -0.487 0.000 3.213) 3.250 26.441 ( -6.579 0.000 2.679) 7.104 26.492 ( -0.362 0.000 7.403) 7.412 26.646 ( -0.686 0.000 -6.609) 6.645 27.014 ( 0.145 0.000 3.121) 3.124 27.033 ( 0.573 0.000 -0.102) 0.582 27.243 ( 4.109 0.000 -2.316) 4.717 27.419 ( -0.833 0.000 -3.068) 3.179 27.870 ( -4.042 0.000 3.307) 5.222 27.898 ( -8.641 0.000 3.552) 9.343 28.369 ( -4.949 0.000 5.930) 7.724 28.458 ( 1.943 0.000 -12.276) 12.429 29.517 ( 14.529 0.000 22.585) 26.855 30.325 ( 13.605 0.000 -21.610) 25.536 30.870 ( 3.183 0.000 0.383) 3.206 31.031 ( -0.269 0.000 -14.849) 14.851 ======================= Grid point 157 (70/108) ======================= q-point: ( 0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.594 ( 18.910 0.000 -12.394) 22.610 2.609 ( 4.525 0.000 -9.907) 10.891 2.914 ( 29.635 0.000 16.508) 33.922 3.369 ( -8.932 0.000 12.014) 14.971 3.615 ( -9.474 0.000 -5.633) 11.022 3.789 ( 6.688 0.000 -6.437) 9.282 3.867 ( -3.630 0.000 -27.044) 27.286 4.042 ( -21.482 0.000 14.116) 25.705 4.330 ( 4.934 0.000 13.427) 14.305 4.418 ( 1.062 0.000 8.860) 8.924 4.491 ( -4.388 0.000 8.360) 9.442 4.516 ( 3.231 0.000 -5.367) 6.265 4.807 ( 11.880 0.000 -0.495) 11.891 4.878 ( -1.803 0.000 1.914) 2.629 4.903 ( 1.379 0.000 -1.778) 2.250 5.134 ( -2.733 0.000 -10.806) 11.146 5.278 ( 14.210 0.000 0.964) 14.243 5.415 ( -5.856 0.000 3.974) 7.077 5.458 ( 2.658 0.000 1.844) 3.235 5.558 ( -4.559 0.000 -1.413) 4.773 5.803 ( 14.917 0.000 3.919) 15.423 5.852 ( 1.458 0.000 3.011) 3.345 5.942 ( 4.528 0.000 5.980) 7.501 5.946 ( 2.550 0.000 10.779) 11.076 6.107 ( 12.877 0.000 12.180) 17.725 6.294 ( 17.219 0.000 -6.351) 18.353 6.304 ( 13.706 0.000 3.774) 14.216 6.610 ( -3.015 0.000 -9.201) 9.683 6.629 ( -0.537 0.000 4.958) 4.987 6.756 ( 13.378 0.000 -9.395) 16.348 6.980 ( -18.109 0.000 3.145) 18.380 7.015 ( -14.722 0.000 -5.077) 15.573 7.215 ( 7.669 0.000 1.507) 7.815 7.340 ( -12.060 0.000 10.792) 16.184 7.361 ( 0.908 0.000 -25.708) 25.724 7.377 ( 5.866 0.000 0.429) 5.882 7.442 ( -5.029 0.000 -0.935) 5.115 7.664 ( 0.532 0.000 -3.815) 3.852 7.734 ( -10.450 0.000 6.426) 12.268 7.836 ( -18.059 0.000 -3.757) 18.446 8.248 ( -6.580 0.000 7.214) 9.763 8.451 ( -8.437 0.000 -8.770) 12.170 8.652 ( -7.674 0.000 15.782) 17.549 8.870 ( 2.264 0.000 -17.721) 17.865 9.267 ( 2.594 0.000 -5.106) 5.727 9.348 ( -10.653 0.000 3.005) 11.069 9.924 ( 9.479 0.000 -8.150) 12.501 9.941 ( -4.506 0.000 8.994) 10.059 11.151 ( 2.589 0.000 10.752) 11.059 11.302 ( 0.405 0.000 -3.628) 3.650 11.570 ( 2.214 0.000 -6.525) 6.890 11.620 ( -2.908 0.000 -5.634) 6.341 12.574 ( 1.805 0.000 3.584) 4.013 12.610 ( 2.741 0.000 -0.449) 2.778 13.106 ( 0.063 0.000 5.774) 5.775 13.201 ( 1.607 0.000 -4.251) 4.544 13.790 ( -3.329 0.000 9.359) 9.934 13.865 ( 1.581 0.000 -4.117) 4.410 14.414 ( -3.699 0.000 6.711) 7.662 14.461 ( 0.204 0.000 -4.782) 4.786 14.646 ( 8.014 0.000 -2.360) 8.354 14.856 ( -5.981 0.000 -6.548) 8.868 15.569 ( 1.427 0.000 14.660) 14.729 15.721 ( -2.007 0.000 18.457) 18.566 15.893 ( -1.050 0.000 -12.560) 12.604 16.091 ( -1.643 0.000 -19.129) 19.199 16.595 ( 0.024 0.000 9.466) 9.466 16.737 ( -0.341 0.000 -2.965) 2.985 17.045 ( -1.303 0.000 1.788) 2.212 17.119 ( -0.445 0.000 -6.663) 6.677 20.680 ( 5.176 0.000 7.093) 8.781 20.995 ( -5.230 0.000 -11.960) 13.054 21.124 ( 0.501 0.000 0.077) 0.507 21.141 ( -3.506 0.000 3.051) 4.648 22.353 ( 3.811 0.000 8.192) 9.035 22.554 ( -3.257 0.000 -4.984) 5.954 23.635 ( -0.478 0.000 10.791) 10.801 23.857 ( 0.035 0.000 -11.479) 11.479 24.333 ( -3.306 0.000 20.620) 20.883 24.553 ( 5.175 0.000 -10.776) 11.954 26.190 ( 4.147 0.000 1.903) 4.563 26.305 ( -6.155 0.000 1.271) 6.285 26.488 ( -0.089 0.000 7.117) 7.118 26.639 ( -0.099 0.000 -7.193) 7.194 27.010 ( -0.508 0.000 3.152) 3.192 27.044 ( 0.386 0.000 -0.283) 0.478 27.340 ( 4.725 0.000 -2.947) 5.568 27.392 ( -2.041 0.000 -1.564) 2.571 27.770 ( -3.407 0.000 3.733) 5.054 27.812 ( -1.290 0.000 -0.346) 1.336 28.268 ( -4.666 0.000 11.828) 12.715 28.493 ( 1.496 0.000 -13.963) 14.042 29.787 ( 10.869 0.000 26.118) 28.289 30.515 ( 3.100 0.000 -29.966) 30.126 30.902 ( 0.023 0.000 1.557) 1.557 30.962 ( -3.822 0.000 -5.721) 6.880 ======================= Grid point 158 (71/108) ======================= q-point: (-0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.502 ( -14.117 0.000 -4.017) 14.677 2.510 ( -21.663 0.000 0.334) 21.666 3.265 ( -14.319 0.000 25.373) 29.134 3.283 ( -25.340 0.000 -18.859) 31.588 3.520 ( 16.055 0.000 3.499) 16.432 3.560 ( -0.797 0.000 -2.872) 2.980 3.723 ( 16.702 0.000 1.099) 16.738 4.301 ( 6.117 0.000 -4.906) 7.841 4.398 ( -1.959 0.000 8.161) 8.393 4.439 ( 1.202 0.000 9.495) 9.571 4.450 ( 11.675 0.000 -1.553) 11.778 4.582 ( 3.578 0.000 -6.827) 7.708 4.809 ( -15.378 0.000 0.602) 15.389 4.900 ( -3.600 0.000 5.701) 6.743 4.934 ( 0.985 0.000 -1.159) 1.521 4.943 ( -2.433 0.000 -3.263) 4.070 5.218 ( -26.662 0.000 2.227) 26.755 5.318 ( 0.286 0.000 9.973) 9.977 5.533 ( 5.573 0.000 1.751) 5.842 5.538 ( 3.799 0.000 -5.895) 7.014 5.863 ( -2.424 0.000 -1.290) 2.746 5.869 ( -2.850 0.000 1.669) 3.303 5.961 ( 0.259 0.000 4.689) 4.697 6.106 ( 3.792 0.000 1.521) 4.086 6.240 ( -2.707 0.000 -2.295) 3.548 6.378 ( 3.117 0.000 10.870) 11.308 6.453 ( -9.875 0.000 -12.282) 15.760 6.494 ( -4.799 0.000 -15.908) 16.616 6.541 ( -15.003 0.000 9.336) 17.670 6.733 ( -4.969 0.000 -6.506) 8.187 6.927 ( 10.373 0.000 3.262) 10.874 7.007 ( -4.859 0.000 8.409) 9.712 7.067 ( 4.529 0.000 -4.164) 6.152 7.195 ( -3.299 0.000 2.490) 4.133 7.405 ( -1.282 0.000 -0.769) 1.495 7.499 ( -8.282 0.000 -6.030) 10.245 7.504 ( 3.581 0.000 8.130) 8.884 7.678 ( 16.647 0.000 -24.534) 29.648 7.794 ( 24.660 0.000 4.243) 25.022 7.804 ( 8.664 0.000 -1.403) 8.777 8.250 ( 6.772 0.000 10.633) 12.607 8.448 ( 7.875 0.000 -10.646) 13.242 8.533 ( -2.952 0.000 12.958) 13.290 8.967 ( 6.545 0.000 -12.566) 14.168 9.149 ( -7.459 0.000 3.971) 8.451 9.362 ( 5.140 0.000 2.518) 5.724 9.807 ( -7.108 0.000 2.836) 7.653 10.100 ( 6.431 0.000 -6.408) 9.079 11.155 ( -1.988 0.000 11.464) 11.635 11.284 ( -2.158 0.000 -3.039) 3.728 11.566 ( -1.953 0.000 -6.464) 6.752 11.620 ( 2.126 0.000 -5.333) 5.741 12.598 ( -0.120 0.000 0.681) 0.692 12.638 ( 0.260 0.000 -2.177) 2.192 13.098 ( -0.785 0.000 5.009) 5.070 13.220 ( 0.133 0.000 -4.447) 4.449 13.736 ( -1.605 0.000 9.605) 9.739 13.910 ( 2.694 0.000 -3.470) 4.393 14.346 ( -2.721 0.000 7.433) 7.916 14.447 ( -2.557 0.000 -0.901) 2.711 14.751 ( -3.023 0.000 -8.992) 9.486 14.782 ( 5.264 0.000 0.281) 5.272 15.620 ( 2.964 0.000 13.955) 14.266 15.710 ( 1.244 0.000 17.848) 17.891 15.868 ( -0.917 0.000 -14.298) 14.327 16.100 ( 2.181 0.000 -18.579) 18.706 16.607 ( 1.022 0.000 9.632) 9.686 16.730 ( -0.292 0.000 -3.551) 3.563 17.025 ( -0.689 0.000 1.634) 1.773 17.129 ( 1.487 0.000 -5.503) 5.701 20.795 ( 5.440 0.000 6.855) 8.751 20.889 ( -4.316 0.000 -12.252) 12.990 21.102 ( 0.482 0.000 3.037) 3.075 21.168 ( 2.949 0.000 -0.556) 3.001 22.409 ( 1.483 0.000 9.188) 9.307 22.479 ( -4.038 0.000 -4.301) 5.899 23.625 ( -0.632 0.000 10.693) 10.711 23.862 ( 0.456 0.000 -10.938) 10.948 24.261 ( -3.777 0.000 17.809) 18.206 24.658 ( 5.015 0.000 -10.988) 12.079 26.210 ( -2.812 0.000 -0.628) 2.881 26.308 ( 7.465 0.000 1.897) 7.702 26.488 ( 0.131 0.000 7.054) 7.055 26.640 ( 0.212 0.000 -7.349) 7.352 26.999 ( -0.449 0.000 3.333) 3.363 27.047 ( -0.048 0.000 0.441) 0.444 27.332 ( -3.597 0.000 -2.743) 4.524 27.399 ( 0.507 0.000 -2.084) 2.145 27.769 ( 2.974 0.000 3.233) 4.393 27.842 ( 4.524 0.000 -2.747) 5.292 28.193 ( -2.300 0.000 14.788) 14.966 28.517 ( 0.871 0.000 -11.931) 11.963 29.918 ( 1.256 0.000 26.823) 26.852 30.398 ( -13.020 0.000 -32.839) 35.326 30.887 ( -1.040 0.000 2.514) 2.721 30.942 ( 0.364 0.000 -2.874) 2.897 ======================= Grid point 159 (72/108) ======================= q-point: (-0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( -20.590 0.000 19.741) 28.525 2.207 ( -10.616 0.000 -13.158) 16.906 2.655 ( -33.698 0.000 28.866) 44.371 2.790 ( -21.518 0.000 -25.809) 33.603 3.725 ( 9.267 0.000 -1.758) 9.433 3.769 ( 5.466 0.000 -0.285) 5.473 4.037 ( -38.008 0.000 26.989) 46.615 4.085 ( 4.255 0.000 1.405) 4.481 4.273 ( -8.912 0.000 12.413) 15.281 4.344 ( -13.043 0.000 4.790) 13.895 4.390 ( -9.889 0.000 -0.846) 9.925 4.580 ( 2.080 0.000 -6.437) 6.765 4.717 ( 6.654 0.000 -4.019) 7.774 4.738 ( -5.524 0.000 -5.303) 7.657 4.873 ( -3.808 0.000 1.965) 4.286 4.962 ( 5.962 0.000 -2.119) 6.327 5.049 ( 8.063 0.000 -5.217) 9.604 5.474 ( 11.988 0.000 5.600) 13.231 5.531 ( -6.350 0.000 0.957) 6.422 5.591 ( 0.090 0.000 -1.324) 1.327 5.740 ( -8.904 0.000 -9.378) 12.932 5.825 ( -1.571 0.000 0.504) 1.650 5.958 ( 0.521 0.000 1.089) 1.207 6.040 ( -9.886 0.000 12.406) 15.863 6.053 ( -12.133 0.000 -5.384) 13.274 6.197 ( -7.592 0.000 -7.256) 10.502 6.365 ( -8.026 0.000 -35.935) 36.821 6.392 ( 1.189 0.000 -5.058) 5.196 6.463 ( 3.826 0.000 11.379) 12.005 6.677 ( -1.560 0.000 -1.380) 2.083 6.711 ( -6.684 0.000 14.770) 16.213 7.031 ( -3.657 0.000 3.479) 5.047 7.136 ( -0.263 0.000 -1.301) 1.328 7.180 ( -0.899 0.000 1.201) 1.501 7.509 ( 2.994 0.000 0.180) 2.999 7.531 ( 9.358 0.000 -2.660) 9.729 7.702 ( 19.618 0.000 7.157) 20.883 7.929 ( 10.328 0.000 -0.396) 10.336 8.199 ( 24.682 0.000 -14.252) 28.501 8.275 ( 17.268 0.000 -2.253) 17.415 8.492 ( 14.577 0.000 15.562) 21.323 8.525 ( 1.337 0.000 5.240) 5.408 8.543 ( -1.978 0.000 -5.936) 6.257 9.102 ( 5.278 0.000 -16.574) 17.394 9.135 ( 7.171 0.000 8.228) 10.914 9.415 ( 0.375 0.000 11.635) 11.641 9.731 ( 0.183 0.000 -3.716) 3.720 10.146 ( -2.234 0.000 -6.575) 6.944 11.079 ( -5.292 0.000 11.653) 12.799 11.209 ( -5.238 0.000 -5.519) 7.609 11.555 ( 1.001 0.000 -5.855) 5.940 11.639 ( -0.312 0.000 -2.047) 2.071 12.570 ( -1.850 0.000 -1.430) 2.338 12.644 ( 0.591 0.000 -1.587) 1.694 13.078 ( -1.173 0.000 3.455) 3.648 13.206 ( -1.360 0.000 -4.623) 4.819 13.728 ( 0.696 0.000 9.430) 9.456 13.952 ( 0.662 0.000 -2.417) 2.507 14.323 ( 0.784 0.000 7.544) 7.585 14.357 ( -4.805 0.000 -0.209) 4.810 14.765 ( 3.867 0.000 -10.910) 11.575 14.868 ( 3.638 0.000 3.076) 4.764 15.658 ( 0.815 0.000 11.699) 11.727 15.785 ( 5.536 0.000 18.991) 19.782 15.863 ( 0.358 0.000 -14.612) 14.616 16.166 ( 4.211 0.000 -17.755) 18.248 16.631 ( 1.189 0.000 9.275) 9.351 16.727 ( 0.035 0.000 -3.300) 3.300 17.020 ( 0.359 0.000 2.495) 2.521 17.186 ( 4.253 0.000 -5.547) 6.990 20.824 ( -2.102 0.000 -13.996) 14.153 20.848 ( -0.895 0.000 5.338) 5.413 21.209 ( 10.193 0.000 2.711) 10.547 21.233 ( 3.253 0.000 1.064) 3.422 22.402 ( -2.955 0.000 -4.060) 5.021 22.409 ( -1.396 0.000 11.767) 11.850 23.610 ( -0.674 0.000 11.597) 11.616 23.877 ( 0.975 0.000 -10.594) 10.638 24.181 ( -3.963 0.000 15.832) 16.321 24.740 ( 2.338 0.000 -10.834) 11.083 26.209 ( 3.176 0.000 -3.226) 4.528 26.476 ( 4.896 0.000 0.846) 4.968 26.504 ( 5.127 0.000 6.655) 8.401 26.648 ( 0.578 0.000 -7.380) 7.402 26.996 ( 0.304 0.000 3.271) 3.285 27.043 ( -0.300 0.000 1.307) 1.341 27.263 ( -2.805 0.000 -5.160) 5.873 27.374 ( -2.168 0.000 0.954) 2.369 27.873 ( 6.966 0.000 2.170) 7.297 27.959 ( 5.273 0.000 -0.042) 5.273 28.203 ( 4.260 0.000 10.653) 11.473 28.521 ( -0.799 0.000 -8.083) 8.122 29.830 ( -9.583 0.000 24.337) 26.155 30.065 ( -18.677 0.000 -30.355) 35.640 30.861 ( -1.932 0.000 4.203) 4.626 30.897 ( -5.753 0.000 -3.813) 6.902 ======================= Grid point 160 (73/108) ======================= q-point: (-0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( -0.836 0.000 38.019) 38.028 2.024 ( -26.709 0.000 35.111) 44.115 2.196 ( 10.672 0.000 -24.935) 27.123 2.460 ( -9.839 0.000 -32.777) 34.221 3.111 ( -42.810 0.000 42.176) 60.095 3.661 ( -24.386 0.000 -4.949) 24.883 3.796 ( -1.877 0.000 1.051) 2.151 3.867 ( -5.256 0.000 -4.079) 6.653 4.131 ( -3.866 0.000 6.700) 7.735 4.167 ( -2.431 0.000 4.943) 5.508 4.418 ( 2.286 0.000 -2.085) 3.094 4.510 ( -9.754 0.000 -5.433) 11.165 4.728 ( 4.214 0.000 -5.266) 6.745 4.738 ( -0.577 0.000 -1.572) 1.675 5.007 ( -1.567 0.000 -1.282) 2.025 5.024 ( 11.926 0.000 -5.874) 13.294 5.257 ( 7.136 0.000 -6.456) 9.623 5.261 ( -13.464 0.000 -5.493) 14.541 5.510 ( -6.613 0.000 3.095) 7.301 5.637 ( -0.553 0.000 -3.379) 3.424 5.652 ( 1.155 0.000 1.015) 1.537 5.771 ( -6.942 0.000 4.817) 8.450 5.818 ( 0.600 0.000 -0.426) 0.736 5.946 ( -2.816 0.000 -4.860) 5.617 6.038 ( 3.207 0.000 5.508) 6.374 6.112 ( -1.605 0.000 -4.991) 5.243 6.381 ( -4.122 0.000 9.917) 10.740 6.393 ( 10.605 0.000 -21.353) 23.841 6.492 ( 4.496 0.000 3.620) 5.773 6.615 ( -4.018 0.000 -0.373) 4.035 6.794 ( 9.455 0.000 2.058) 9.677 6.955 ( -3.677 0.000 4.012) 5.442 7.194 ( 2.711 0.000 -0.068) 2.712 7.202 ( 3.874 0.000 0.129) 3.876 7.557 ( 2.681 0.000 2.274) 3.515 7.613 ( 2.941 0.000 4.003) 4.968 8.130 ( 8.520 0.000 -0.803) 8.557 8.151 ( 17.093 0.000 1.063) 17.126 8.453 ( -2.287 0.000 -0.259) 2.302 8.486 ( 5.804 0.000 6.874) 8.997 8.545 ( 0.266 0.000 -3.295) 3.305 8.612 ( 12.828 0.000 -10.347) 16.481 8.667 ( 1.286 0.000 7.136) 7.251 9.167 ( -0.152 0.000 -17.577) 17.578 9.307 ( 7.990 0.000 8.179) 11.434 9.456 ( 3.287 0.000 11.749) 12.200 9.742 ( -0.308 0.000 -1.373) 1.407 10.036 ( -6.950 0.000 -8.426) 10.923 10.960 ( -5.698 0.000 10.745) 12.162 11.094 ( -4.863 0.000 -8.073) 9.425 11.596 ( 2.671 0.000 -5.442) 6.062 11.615 ( -1.764 0.000 1.187) 2.126 12.563 ( 1.814 0.000 -1.177) 2.162 12.647 ( -1.010 0.000 1.548) 1.848 13.054 ( -0.925 0.000 2.574) 2.735 13.172 ( -1.850 0.000 -4.865) 5.205 13.757 ( 1.960 0.000 8.484) 8.707 13.928 ( -2.544 0.000 -1.296) 2.855 14.310 ( 0.726 0.000 -1.548) 1.710 14.357 ( 1.453 0.000 3.895) 4.157 14.876 ( 6.434 0.000 -9.881) 11.791 14.925 ( 0.941 0.000 4.012) 4.121 15.663 ( -0.316 0.000 10.649) 10.654 15.877 ( 0.873 0.000 -13.764) 13.791 15.901 ( 5.064 0.000 19.692) 20.333 16.264 ( 5.125 0.000 -17.054) 17.808 16.650 ( 0.557 0.000 8.472) 8.491 16.731 ( 0.247 0.000 -2.539) 2.551 17.047 ( 2.466 0.000 4.348) 4.999 17.292 ( 5.260 0.000 -8.894) 10.333 20.772 ( -6.183 0.000 4.996) 7.949 20.806 ( 0.526 0.000 -15.110) 15.120 21.296 ( 2.914 0.000 3.316) 4.414 21.432 ( 8.349 0.000 -4.001) 9.258 22.361 ( -3.162 0.000 14.584) 14.923 22.408 ( 5.089 0.000 -4.419) 6.740 23.617 ( 2.073 0.000 13.416) 13.575 23.897 ( 0.929 0.000 -10.210) 10.252 24.121 ( -0.983 0.000 16.731) 16.760 24.717 ( -5.093 0.000 -10.958) 12.084 26.343 ( 9.182 0.000 -3.839) 9.953 26.487 ( -0.211 0.000 5.542) 5.546 26.665 ( 1.219 0.000 -7.115) 7.218 26.669 ( 5.582 0.000 -2.910) 6.295 27.006 ( 0.242 0.000 1.811) 1.827 27.037 ( -0.301 0.000 0.860) 0.911 27.237 ( 0.918 0.000 -6.343) 6.409 27.331 ( -2.475 0.000 3.521) 4.304 28.042 ( 9.523 0.000 0.171) 9.524 28.045 ( 4.449 0.000 6.870) 8.184 28.353 ( 8.347 0.000 -0.267) 8.351 28.470 ( -4.562 0.000 -3.385) 5.681 29.564 ( -15.353 0.000 20.807) 25.858 29.680 ( -16.710 0.000 -24.569) 29.713 30.727 ( -8.805 0.000 2.920) 9.276 30.800 ( -3.706 0.000 2.100) 4.259 ======================= Grid point 161 (74/108) ======================= q-point: ( 0.00 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( -1.105 14.077 31.118) 34.172 2.126 ( 4.360 17.709 28.790) 34.081 2.348 ( 6.630 4.969 -21.964) 23.475 2.800 ( 0.135 14.296 -26.808) 30.382 2.958 ( -1.302 26.917 39.284) 47.639 3.446 ( 2.086 19.011 -11.497) 22.315 3.758 ( -3.194 2.578 3.823) 5.610 3.788 ( -0.565 2.218 1.849) 2.942 4.156 ( 5.874 -1.558 0.970) 6.154 4.184 ( 1.619 -0.507 5.394) 5.654 4.358 ( -4.199 1.406 -3.649) 5.738 4.478 ( -3.340 1.255 -1.231) 3.775 4.660 ( 2.410 -7.720 -3.287) 8.730 4.736 ( 1.288 -2.655 -11.625) 11.993 4.938 ( 0.635 -4.301 1.616) 4.638 5.021 ( -4.149 -2.686 -8.650) 9.962 5.134 ( -4.000 0.579 5.745) 7.024 5.250 ( 3.016 -1.796 -4.407) 5.634 5.468 ( 0.587 0.554 0.465) 0.932 5.492 ( -5.869 -11.378 0.164) 12.803 5.578 ( -2.540 -7.705 1.717) 8.293 5.631 ( 2.641 -1.586 -1.560) 3.453 5.886 ( 3.897 0.446 1.502) 4.200 5.900 ( -1.357 2.328 0.854) 2.827 6.036 ( 2.871 1.526 1.782) 3.708 6.173 ( -7.410 2.202 -6.409) 10.042 6.253 ( -4.109 -5.352 6.190) 9.157 6.420 ( 5.696 -6.051 -5.149) 9.776 6.619 ( -6.676 6.176 5.181) 10.467 6.708 ( 7.226 0.983 -5.272) 8.999 6.953 ( -0.088 4.897 1.978) 5.282 7.015 ( -1.718 6.095 -2.713) 6.889 7.219 ( -5.792 1.155 1.094) 6.006 7.259 ( 7.113 0.534 -1.219) 7.237 7.631 ( 3.260 -0.778 3.322) 4.719 7.686 ( 0.017 1.209 -1.481) 1.912 8.198 ( -2.220 -0.964 1.713) 2.965 8.254 ( 1.384 0.103 -4.078) 4.307 8.489 ( -7.097 1.536 1.994) 7.530 8.522 ( 1.285 2.009 -1.405) 2.768 8.656 ( 5.611 6.793 4.813) 10.040 8.751 ( 1.044 4.035 3.326) 5.333 8.765 ( 4.179 2.092 4.500) 6.488 9.071 ( -8.895 0.725 -17.613) 19.745 9.407 ( 6.199 -2.366 12.177) 13.867 9.575 ( -0.673 5.032 -2.609) 5.708 9.823 ( 1.499 7.452 2.939) 8.150 9.950 ( -2.645 2.794 -8.427) 9.263 10.833 ( -1.002 -4.113 8.652) 9.632 11.005 ( 1.293 -4.661 -8.921) 10.149 11.598 ( 0.211 2.172 4.390) 4.902 11.695 ( 0.167 2.936 -5.054) 5.847 12.487 ( -1.569 -7.779 2.428) 8.299 12.544 ( 0.436 -5.871 -2.953) 6.587 13.032 ( -0.491 -2.115 4.503) 4.999 13.152 ( -0.347 -0.022 -5.959) 5.970 13.673 ( 1.484 -11.730 3.918) 12.456 13.725 ( -0.519 -10.919 -1.815) 11.081 14.243 ( 1.112 -6.601 6.558) 9.371 14.320 ( 0.549 -4.263 -0.278) 4.307 14.978 ( -4.980 7.528 8.493) 12.394 15.147 ( 2.940 7.479 -7.893) 11.263 15.615 ( -3.195 -5.940 8.010) 10.471 15.803 ( 2.706 -4.453 -9.313) 10.672 15.972 ( -0.126 -1.085 10.916) 10.970 16.286 ( 0.543 -4.701 -15.823) 16.516 16.680 ( -0.298 2.295 5.897) 6.335 16.744 ( 0.129 0.786 -0.849) 1.164 17.085 ( -0.201 -1.176 6.770) 6.874 17.283 ( -0.255 -2.589 -10.453) 10.772 20.466 ( -1.899 -9.758 9.328) 13.632 20.724 ( 0.369 -8.331 -15.556) 17.650 21.498 ( 3.056 10.759 10.426) 15.290 21.702 ( -5.771 17.661 -10.349) 21.267 22.412 ( -2.595 8.586 10.842) 14.071 22.610 ( 6.885 1.934 -8.415) 11.043 23.605 ( 1.380 -3.783 12.493) 13.126 23.873 ( -0.870 -2.339 -13.230) 13.463 24.181 ( 5.253 -0.574 19.474) 20.178 24.521 ( -5.933 -2.120 -13.044) 14.486 26.252 ( -1.802 -15.455 2.340) 15.734 26.288 ( -1.345 -15.639 -1.470) 15.765 26.633 ( 0.003 4.995 8.203) 9.604 26.804 ( -0.434 4.868 -7.650) 9.078 27.060 ( -0.317 4.907 4.393) 6.594 27.147 ( -0.553 9.195 -5.124) 10.541 27.455 ( -8.593 16.654 2.132) 18.862 27.537 ( 7.648 17.113 -5.846) 19.635 28.116 ( -2.319 2.538 6.849) 7.664 28.247 ( 7.569 0.840 -4.021) 8.612 28.316 ( -7.152 -1.375 3.999) 8.309 28.434 ( 1.770 -1.863 -5.862) 6.400 29.241 ( -10.124 -4.027 15.122) 18.639 29.557 ( 12.626 -6.277 -15.732) 21.127 30.658 ( 5.476 -1.041 4.694) 7.287 30.726 ( -1.551 -2.050 -2.161) 3.358 ======================= Grid point 162 (75/108) ======================= q-point: ( 0.14 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( 13.424 19.881 17.777) 29.858 2.108 ( 5.818 27.552 29.260) 40.609 2.618 ( 9.172 3.725 -34.258) 35.660 2.668 ( 4.329 2.777 -23.272) 23.834 3.434 ( 35.612 13.122 29.674) 48.176 3.710 ( 6.198 1.339 8.555) 10.649 3.787 ( 0.267 1.755 3.693) 4.098 3.881 ( 22.162 16.334 -4.657) 27.922 4.238 ( -0.459 -0.681 0.511) 0.968 4.250 ( 6.322 -2.685 -3.407) 7.667 4.351 ( -2.354 0.205 3.278) 4.041 4.454 ( 7.531 1.685 -1.067) 7.791 4.724 ( 4.074 -5.941 -1.303) 7.320 4.809 ( 3.148 -3.814 -10.342) 11.463 4.862 ( -9.676 -0.857 -5.125) 10.983 4.972 ( 1.339 -4.570 2.391) 5.328 5.090 ( 1.112 5.189 -3.922) 6.599 5.302 ( 2.102 0.460 4.426) 4.921 5.430 ( 1.398 -8.496 1.681) 8.773 5.466 ( 0.372 -4.729 1.495) 4.974 5.608 ( 3.259 -7.235 -2.141) 8.219 5.699 ( 3.803 2.752 7.027) 8.451 5.853 ( -2.894 -2.983 1.111) 4.302 5.959 ( -0.849 0.348 4.689) 4.778 5.984 ( -7.246 6.513 -1.802) 9.908 6.026 ( -3.593 3.671 4.837) 7.056 6.228 ( 0.890 -2.465 -1.309) 2.930 6.390 ( -4.882 2.643 4.622) 7.224 6.621 ( 5.322 8.292 -0.606) 9.872 6.734 ( -2.346 3.973 -2.845) 5.421 6.885 ( -2.847 -2.796 -6.819) 7.901 6.973 ( -1.776 -1.850 -0.483) 2.609 7.140 ( 0.179 -0.315 -1.139) 1.195 7.338 ( -0.964 4.961 -0.441) 5.073 7.584 ( -3.178 -1.635 -0.279) 3.585 7.703 ( -1.495 3.218 -1.567) 3.879 8.103 ( -7.952 -0.253 -0.429) 7.967 8.184 ( -9.623 0.715 -0.001) 9.649 8.365 ( -8.876 -4.857 1.657) 10.253 8.471 ( -3.732 3.965 2.529) 6.004 8.533 ( -13.197 2.985 -0.954) 13.564 8.723 ( -2.426 5.474 -0.446) 6.004 8.863 ( -0.784 3.052 9.643) 10.145 8.919 ( -3.751 -1.873 -15.280) 15.845 9.447 ( -4.126 0.029 0.971) 4.238 9.597 ( 2.758 2.400 -0.232) 3.664 9.829 ( -1.407 4.829 -3.302) 6.017 9.968 ( 4.205 8.025 -0.414) 9.069 10.861 ( 3.518 -4.953 8.281) 10.270 11.076 ( 4.959 -6.445 -9.452) 12.469 11.597 ( 0.004 4.947 3.073) 5.824 11.718 ( 1.620 1.480 -4.268) 4.798 12.463 ( -0.399 -5.121 3.353) 6.134 12.554 ( 0.514 -5.347 -1.380) 5.546 13.035 ( 0.896 -3.247 4.678) 5.764 13.153 ( 0.504 1.347 -4.892) 5.100 13.709 ( 1.641 -12.761 3.789) 13.412 13.734 ( 0.981 -8.225 -2.709) 8.715 14.262 ( 0.762 -7.441 6.664) 10.018 14.339 ( 1.554 -4.582 -2.875) 5.627 14.829 ( -8.073 10.155 8.717) 15.630 15.176 ( -0.207 8.601 -6.776) 10.952 15.538 ( -4.127 -7.624 8.877) 12.408 15.800 ( -4.286 -3.974 -1.712) 6.091 15.921 ( -2.573 -2.764 4.095) 5.570 16.246 ( -3.701 -3.566 -15.229) 16.072 16.667 ( -1.026 3.033 6.595) 7.331 16.748 ( 0.223 0.738 -0.694) 1.037 17.037 ( -3.406 -5.336 5.520) 8.399 17.245 ( -2.867 1.429 -8.478) 9.063 20.465 ( 1.701 -6.558 8.768) 11.081 20.755 ( 2.172 -10.947 -12.756) 16.949 21.484 ( -5.070 7.155 9.083) 12.625 21.529 ( -8.949 17.132 -4.696) 19.891 22.380 ( 0.468 10.930 6.291) 12.620 22.693 ( 0.856 2.062 -7.540) 7.863 23.621 ( 0.294 -2.412 11.643) 11.893 23.855 ( -0.493 -1.720 -13.708) 13.825 24.303 ( 4.687 -3.807 19.265) 20.189 24.462 ( 0.291 1.252 -10.598) 10.676 26.120 ( -5.752 -9.849 3.267) 11.864 26.299 ( -0.832 -15.024 1.906) 15.167 26.618 ( -1.265 5.197 8.631) 10.154 26.782 ( -1.348 7.606 -7.179) 10.545 27.053 ( -0.175 3.431 3.833) 5.147 27.130 ( -1.134 10.664 -1.551) 10.835 27.328 ( -2.161 11.099 0.717) 11.330 27.636 ( 0.694 17.822 -4.146) 18.311 28.019 ( -5.509 4.648 6.351) 9.606 28.115 ( -9.482 1.668 1.295) 9.715 28.394 ( 3.341 -0.980 -3.551) 4.974 28.439 ( -1.172 -0.687 -2.706) 3.027 29.191 ( 6.547 -6.714 15.313) 17.956 29.896 ( 16.681 -10.121 -18.674) 27.008 30.744 ( 3.241 -3.796 -2.761) 5.704 30.859 ( 10.234 -4.084 -5.232) 12.198 ======================= Grid point 163 (76/108) ======================= q-point: ( 0.29 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( 19.044 13.239 9.882) 25.211 2.481 ( 20.011 15.586 1.434) 25.406 2.637 ( 11.258 13.168 -11.097) 20.573 3.143 ( 26.962 -6.077 -23.939) 36.565 3.661 ( -9.458 4.610 6.854) 12.557 3.755 ( 1.494 -3.286 1.350) 3.853 4.089 ( -2.122 -2.298 0.669) 3.199 4.148 ( 6.981 -3.907 1.345) 8.112 4.272 ( -4.590 -1.005 9.805) 10.873 4.295 ( 18.454 5.840 14.327) 24.082 4.481 ( 6.506 2.486 -6.622) 9.610 4.580 ( -11.164 -1.474 4.429) 12.100 4.629 ( 6.064 0.788 0.929) 6.185 4.835 ( 6.001 3.786 3.616) 7.964 4.884 ( 4.405 1.117 -2.606) 5.238 4.992 ( 2.496 -1.763 -2.392) 3.881 5.192 ( 7.074 1.681 -12.265) 14.258 5.400 ( -1.418 -6.926 4.833) 8.563 5.449 ( 10.955 -0.276 4.758) 11.947 5.504 ( 0.681 1.387 -3.954) 4.245 5.661 ( 4.201 -0.224 2.790) 5.048 5.809 ( -1.810 -0.460 3.344) 3.830 5.838 ( 2.257 -1.305 5.909) 6.459 5.863 ( 13.017 6.938 11.090) 18.454 5.975 ( 1.499 1.636 8.002) 8.304 6.086 ( 6.792 10.490 1.027) 12.539 6.236 ( 0.894 5.072 5.004) 7.181 6.443 ( 9.885 1.382 -5.353) 11.326 6.613 ( -1.879 0.548 1.791) 2.653 6.692 ( -4.726 -2.828 -8.308) 9.968 6.945 ( 8.941 -4.313 -1.676) 10.067 7.029 ( 5.634 -2.990 -7.829) 10.098 7.163 ( 1.345 2.596 -3.899) 4.873 7.299 ( -1.407 6.314 -1.542) 6.650 7.526 ( -6.171 0.333 -4.328) 7.544 7.582 ( -7.953 1.044 -2.337) 8.355 7.832 ( -18.628 -1.258 0.750) 18.686 7.908 ( -15.667 3.934 -3.445) 16.517 8.042 ( -17.717 3.238 3.670) 18.381 8.229 ( -17.133 1.645 4.273) 17.734 8.394 ( -6.776 -1.615 4.392) 8.235 8.606 ( -8.522 -0.215 -1.207) 8.610 8.802 ( -3.004 1.374 1.058) 3.468 8.866 ( -3.557 -0.872 -8.140) 8.926 9.323 ( -5.812 1.408 -4.239) 7.330 9.577 ( -5.406 2.715 1.242) 6.176 9.833 ( 3.498 5.766 -7.582) 10.148 10.046 ( 1.973 8.434 5.441) 10.229 10.947 ( 4.044 -7.987 7.992) 12.001 11.170 ( 3.635 -8.242 -10.137) 13.561 11.605 ( 0.756 6.843 3.010) 7.514 11.742 ( 0.436 2.973 -4.256) 5.210 12.478 ( 2.111 -2.932 5.599) 6.664 12.588 ( 3.095 0.491 -2.362) 3.924 13.062 ( 1.453 -3.359 4.527) 5.821 13.173 ( 1.228 0.549 -4.143) 4.356 13.731 ( 0.316 -10.969 4.173) 11.740 13.747 ( 0.268 -7.355 -2.394) 7.739 14.271 ( 0.093 -9.453 5.348) 10.862 14.390 ( 2.872 -5.496 -2.727) 6.774 14.708 ( -2.892 10.163 5.939) 12.121 15.136 ( -3.793 12.036 -9.147) 15.586 15.463 ( -2.820 -10.278 10.235) 14.777 15.665 ( -6.562 -9.086 6.338) 12.875 15.905 ( 0.008 -2.871 -1.920) 3.454 16.166 ( -3.678 -0.979 -14.897) 15.376 16.644 ( -1.034 3.663 7.837) 8.713 16.751 ( 0.065 0.820 -1.159) 1.421 16.985 ( -1.413 -6.414 3.505) 7.444 17.178 ( -3.406 1.497 -7.595) 8.457 20.517 ( 3.029 -6.377 7.129) 10.033 20.792 ( 1.197 -12.452 -10.792) 16.521 21.339 ( -6.933 6.382 3.369) 10.007 21.368 ( -7.292 13.335 -0.163) 15.199 22.429 ( 3.643 11.113 4.587) 12.563 22.673 ( -2.115 2.869 -3.357) 4.896 23.628 ( 0.496 0.450 10.356) 10.378 23.856 ( 0.406 0.288 -13.118) 13.128 24.359 ( 0.936 -1.367 19.585) 19.655 24.499 ( 2.957 2.779 -8.546) 9.460 26.068 ( 0.231 -6.728 1.324) 6.861 26.251 ( -3.612 -13.414 2.430) 14.103 26.593 ( -1.025 6.728 8.726) 11.066 26.759 ( -0.809 8.361 -7.111) 11.006 27.055 ( 0.319 3.449 3.177) 4.700 27.116 ( -0.144 8.542 0.332) 8.550 27.340 ( 2.360 7.687 -0.947) 8.097 27.583 ( -4.391 14.459 -4.028) 15.639 27.908 ( -5.530 4.155 3.860) 7.921 27.962 ( -5.119 5.959 2.520) 8.250 28.360 ( -4.284 -0.756 5.975) 7.391 28.454 ( 1.664 -0.247 -11.831) 11.950 29.428 ( 14.026 -8.387 20.032) 25.852 30.190 ( 12.024 -13.013 -21.020) 27.491 30.817 ( 3.164 -4.646 -0.486) 5.642 30.971 ( 0.562 -5.137 -8.937) 10.324 ======================= Grid point 164 (77/108) ======================= q-point: ( 0.43 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.579 ( 16.566 1.614 -4.089) 17.139 2.660 ( 3.171 5.149 -10.494) 12.112 3.131 ( 26.438 16.899 7.771) 32.325 3.435 ( -8.731 5.916 10.416) 14.823 3.582 ( 4.152 -4.194 -8.220) 10.119 3.722 ( -0.661 -3.578 -5.342) 6.463 3.934 ( -7.366 1.265 -6.543) 9.934 3.940 ( -17.478 -2.613 -0.386) 17.677 4.316 ( 4.321 -7.149 5.695) 10.110 4.337 ( 2.037 0.900 10.516) 10.749 4.466 ( -2.726 -5.146 -1.358) 5.979 4.489 ( -4.435 0.054 7.832) 9.000 4.859 ( 2.273 -2.965 -3.673) 5.240 4.876 ( -1.202 0.783 1.115) 1.817 4.913 ( 10.102 6.713 -0.971) 12.168 5.168 ( -3.308 0.974 -9.030) 9.666 5.277 ( 4.940 -3.499 6.925) 9.198 5.425 ( 1.566 -0.165 0.282) 1.599 5.508 ( 5.457 6.479 -2.535) 8.842 5.622 ( -1.093 4.482 1.483) 4.846 5.809 ( 9.761 -0.782 2.552) 10.119 5.843 ( 1.508 -1.345 1.456) 2.491 5.941 ( 9.492 4.297 7.145) 12.634 6.043 ( 2.572 5.182 5.980) 8.320 6.147 ( 10.638 5.326 14.080) 18.433 6.290 ( 13.354 1.864 -2.929) 13.798 6.367 ( 9.174 2.694 2.543) 9.894 6.545 ( -3.121 -4.285 -4.106) 6.705 6.663 ( 3.268 2.647 0.703) 4.264 6.738 ( 15.444 1.192 -2.305) 15.660 7.004 ( -15.311 1.761 -2.874) 15.678 7.078 ( -2.160 2.883 -0.634) 3.658 7.167 ( 1.298 -2.649 -2.158) 3.655 7.237 ( -10.174 -3.528 6.235) 12.444 7.343 ( 1.898 -1.356 -10.991) 11.236 7.420 ( -6.820 3.760 -12.360) 14.609 7.525 ( -5.216 5.912 1.721) 8.070 7.735 ( 2.309 5.646 -3.806) 7.190 7.787 ( -8.719 3.641 5.914) 11.147 7.860 ( -18.119 1.709 -1.532) 18.264 8.226 ( -6.196 -1.934 5.891) 8.766 8.392 ( -9.347 -4.930 -6.202) 12.253 8.686 ( -8.027 2.889 13.375) 15.864 8.864 ( 4.005 -0.175 -17.038) 17.504 9.266 ( -1.385 0.150 3.682) 3.937 9.431 ( -5.805 6.199 -5.703) 10.230 9.967 ( 8.316 4.867 -5.437) 11.064 10.021 ( -4.359 7.727 5.038) 10.202 11.004 ( 1.518 -9.928 8.310) 13.036 11.211 ( 0.449 -9.117 -10.442) 13.870 11.617 ( -0.110 6.820 5.612) 8.832 11.743 ( 0.236 5.421 -6.092) 8.158 12.541 ( 3.333 -0.890 5.339) 6.356 12.653 ( 2.282 2.796 -4.202) 5.539 13.085 ( 0.597 -2.403 4.999) 5.578 13.192 ( 0.566 -1.386 -4.366) 4.615 13.705 ( -2.314 -7.692 6.397) 10.269 13.768 ( 1.668 -7.826 -4.299) 9.083 14.280 ( 0.945 -9.064 6.133) 10.985 14.396 ( -2.496 -6.953 -1.320) 7.505 14.737 ( 5.046 7.692 4.472) 10.229 15.025 ( -6.555 12.784 -10.460) 17.771 15.438 ( 0.504 -12.044 10.748) 16.150 15.577 ( -1.975 -11.675 4.610) 12.706 15.900 ( -0.743 -2.150 0.100) 2.277 16.113 ( -1.243 0.269 -15.711) 15.763 16.632 ( -0.064 3.704 8.481) 9.255 16.750 ( -0.172 1.056 -1.855) 2.142 16.976 ( 0.331 -5.510 2.971) 6.269 17.119 ( -2.213 -0.292 -7.590) 7.912 20.575 ( 2.332 -8.953 6.550) 11.336 20.799 ( -0.333 -10.976 -11.166) 15.660 21.225 ( -4.022 5.440 4.519) 8.136 21.271 ( -1.754 12.809 -2.239) 13.121 22.500 ( 2.764 8.540 5.331) 10.440 22.624 ( -2.347 5.333 -2.329) 6.275 23.636 ( 0.140 1.692 9.754) 9.901 23.863 ( 0.274 1.570 -12.420) 12.522 24.347 ( -1.809 1.398 19.630) 19.763 24.577 ( 4.322 2.401 -9.720) 10.906 26.106 ( 2.956 -7.308 0.642) 7.909 26.169 ( -3.859 -10.574 1.631) 11.374 26.580 ( -0.246 7.439 8.533) 11.323 26.749 ( -0.250 8.045 -7.269) 10.846 27.066 ( 0.692 4.711 3.383) 5.841 27.114 ( -0.302 7.322 -0.153) 7.330 27.402 ( 3.270 5.229 -1.210) 6.285 27.499 ( -3.611 10.159 -3.500) 11.336 27.830 ( -1.448 5.999 3.171) 6.938 27.890 ( -2.097 7.110 -0.762) 7.452 28.270 ( -4.297 0.456 11.781) 12.548 28.486 ( 1.503 -0.411 -13.214) 13.305 29.686 ( 10.172 -9.560 23.690) 27.497 30.346 ( 1.984 -15.864 -27.546) 31.849 30.857 ( 0.819 -4.073 1.368) 4.374 30.928 ( -2.954 -3.258 -4.249) 6.115 ======================= Grid point 165 (78/108) ======================= q-point: (-0.43 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.556 ( -17.748 4.226 -0.055) 18.244 2.574 ( -10.516 7.255 -5.502) 13.910 3.274 ( -29.286 -3.206 22.496) 37.067 3.351 ( -22.753 5.484 -11.300) 25.990 3.524 ( 14.500 4.468 7.262) 16.822 3.603 ( 6.547 5.258 -3.046) 8.932 3.717 ( 17.191 1.959 -1.411) 17.360 4.250 ( 0.278 -5.108 -2.832) 5.847 4.312 ( 8.431 -6.770 -3.903) 11.496 4.394 ( 1.417 -2.993 4.153) 5.312 4.462 ( 6.916 -0.458 8.241) 10.768 4.540 ( 6.436 -3.298 -5.612) 9.154 4.809 ( -3.963 -2.154 -0.403) 4.529 4.907 ( -12.204 3.484 -0.318) 12.696 4.953 ( 0.104 -0.144 -1.667) 1.677 5.036 ( 1.091 7.937 1.516) 8.154 5.289 ( -0.365 -3.590 9.723) 10.371 5.336 ( -22.255 7.624 0.670) 23.534 5.478 ( -3.019 2.996 -2.226) 4.801 5.659 ( 3.124 2.208 -0.623) 3.876 5.804 ( -4.226 -2.741 1.752) 5.333 5.888 ( 0.897 0.725 -0.421) 1.227 6.016 ( -3.270 4.634 1.408) 5.844 6.145 ( 4.485 3.286 2.004) 5.910 6.227 ( -4.460 0.611 -3.055) 5.440 6.356 ( -1.167 -2.857 9.782) 10.257 6.445 ( -0.783 -0.441 -8.347) 8.396 6.503 ( -4.739 0.992 -6.677) 8.248 6.651 ( -11.526 10.115 6.165) 16.528 6.756 ( -7.893 3.528 -7.368) 11.360 6.962 ( -12.488 1.490 2.362) 12.797 6.979 ( 15.720 0.478 3.754) 16.169 7.097 ( -4.361 -0.049 -0.443) 4.384 7.174 ( 1.481 0.572 1.611) 2.261 7.319 ( 6.580 -4.428 -2.106) 8.206 7.546 ( -1.731 2.916 3.141) 4.622 7.552 ( -2.657 1.220 -4.687) 5.524 7.644 ( 13.246 1.022 -13.706) 19.088 7.845 ( 18.243 2.848 2.964) 18.701 7.861 ( 11.754 3.683 -0.191) 12.319 8.229 ( 5.879 -1.556 7.774) 9.871 8.394 ( 8.728 -3.947 -6.830) 11.765 8.565 ( -2.425 2.610 8.626) 9.332 8.986 ( 7.203 1.811 -13.201) 15.147 9.156 ( -6.504 0.897 7.609) 10.050 9.463 ( 5.788 8.049 -3.711) 10.586 9.891 ( -7.000 8.003 1.514) 10.740 10.120 ( 5.507 2.666 -4.342) 7.502 11.011 ( -0.796 -9.692 9.379) 13.510 11.190 ( -2.396 -9.146 -10.128) 13.855 11.595 ( -1.544 5.095 5.598) 7.725 11.758 ( 0.731 6.714 -5.474) 8.693 12.581 ( 0.115 -0.919 3.070) 3.207 12.658 ( -1.724 2.103 -5.929) 6.523 13.082 ( -0.729 -1.776 4.508) 4.900 13.199 ( 0.139 -2.259 -4.259) 4.823 13.661 ( -1.643 -6.574 6.219) 9.198 13.804 ( 1.486 -8.968 -3.429) 9.715 14.283 ( -1.401 -5.216 7.215) 9.012 14.342 ( -1.911 -8.766 1.509) 9.098 14.845 ( 3.853 7.148 2.754) 8.574 14.921 ( -1.588 11.552 -7.979) 14.129 15.483 ( 3.812 -12.952 10.838) 17.313 15.576 ( 1.579 -10.678 0.391) 10.801 15.877 ( -1.274 -1.613 1.060) 2.313 16.116 ( 1.337 -0.488 -14.944) 15.012 16.641 ( 0.884 3.328 8.199) 8.892 16.746 ( -0.208 1.294 -2.219) 2.577 16.991 ( 0.912 -3.053 3.005) 4.380 17.098 ( 0.488 -2.163 -6.970) 7.314 20.600 ( -0.029 -12.442 6.294) 13.944 20.792 ( -0.236 -8.515 -12.873) 15.436 21.195 ( 1.297 7.974 5.151) 9.582 21.295 ( 4.046 11.025 -1.983) 11.910 22.511 ( -2.000 3.306 5.486) 6.710 22.597 ( -0.180 11.147 -1.049) 11.198 23.630 ( -0.838 1.505 9.632) 9.785 23.866 ( 0.088 1.670 -11.840) 11.957 24.296 ( -3.117 3.017 17.044) 17.588 24.658 ( 3.444 0.593 -9.999) 10.593 26.098 ( -2.092 -9.179 0.920) 9.459 26.191 ( 4.547 -9.328 0.118) 10.378 26.583 ( 0.450 7.796 8.278) 11.379 26.750 ( 0.403 7.450 -7.276) 10.421 27.075 ( -0.095 5.729 3.015) 6.475 27.113 ( 0.694 7.627 -0.421) 7.670 27.418 ( -2.294 7.599 -2.319) 8.269 27.472 ( 1.326 7.244 -1.686) 7.555 27.840 ( 2.193 6.895 2.296) 7.591 27.907 ( 4.227 5.920 -2.911) 7.835 28.197 ( -2.592 0.836 14.773) 15.022 28.511 ( 0.867 -0.421 -11.283) 11.324 29.800 ( 0.310 -11.141 23.952) 26.418 30.246 ( -10.813 -14.289 -29.585) 34.589 30.848 ( -1.688 -3.569 2.282) 4.561 30.905 ( 0.244 -3.493 -1.992) 4.028 ======================= Grid point 166 (79/108) ======================= q-point: (-0.29 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( -19.134 9.424 18.541) 28.261 2.350 ( -9.033 13.039 -10.758) 19.166 2.611 ( -31.825 -1.153 27.309) 41.952 2.908 ( -18.425 10.999 -19.918) 29.278 3.742 ( 8.123 0.510 -0.072) 8.139 3.783 ( 3.939 2.021 -2.016) 4.865 4.026 ( 3.080 -0.289 1.876) 3.618 4.113 ( -1.833 -8.390 3.311) 9.204 4.291 ( -25.935 13.470 18.993) 34.854 4.392 ( -6.008 1.282 3.000) 6.836 4.502 ( -7.986 3.942 -5.096) 10.261 4.591 ( -5.774 3.907 6.921) 9.823 4.672 ( -2.913 -6.758 -4.224) 8.485 4.733 ( 4.663 2.419 -1.920) 5.593 4.859 ( -8.356 3.622 -0.363) 9.115 4.990 ( 3.059 -2.237 -1.085) 3.941 5.069 ( 2.062 7.754 -3.948) 8.943 5.346 ( 4.240 -10.028 4.334) 11.718 5.458 ( -0.668 -5.370 0.610) 5.445 5.618 ( -4.682 -5.956 0.881) 7.627 5.752 ( -3.836 1.581 -5.904) 7.216 5.825 ( -6.148 0.664 -3.833) 7.276 5.940 ( -3.618 -1.311 -2.098) 4.383 6.022 ( -9.525 4.771 5.814) 12.136 6.116 ( -9.552 5.085 -3.539) 11.385 6.310 ( -6.341 3.189 -5.562) 9.017 6.382 ( -1.680 3.037 -18.945) 19.260 6.443 ( -1.555 1.597 3.770) 4.379 6.481 ( -1.702 1.967 -4.397) 5.109 6.668 ( 2.901 3.132 -3.035) 5.238 6.718 ( -5.975 0.799 12.016) 13.443 6.973 ( -4.892 -4.213 0.773) 6.503 7.143 ( -1.091 1.670 0.334) 2.023 7.254 ( 4.067 5.325 2.110) 7.025 7.474 ( 5.473 -0.571 0.347) 5.514 7.581 ( 5.518 1.656 -1.402) 5.929 7.730 ( 18.696 2.431 5.933) 19.765 7.924 ( 12.530 -0.902 -0.583) 12.576 8.135 ( 17.925 -2.592 -7.052) 19.436 8.322 ( 16.042 3.002 -3.325) 16.656 8.426 ( 11.781 -4.820 12.885) 18.112 8.567 ( 3.829 0.174 -2.738) 4.710 8.580 ( 6.029 5.339 0.337) 8.061 9.111 ( 3.968 1.057 -14.455) 15.027 9.137 ( 6.107 1.137 9.642) 11.470 9.538 ( 0.890 10.317 6.273) 12.107 9.809 ( -0.390 6.421 -5.094) 8.206 10.157 ( -2.203 1.769 -4.379) 5.211 10.970 ( -3.238 -7.997 9.766) 13.031 11.121 ( -4.271 -7.744 -9.394) 12.902 11.574 ( -0.283 3.072 4.083) 5.118 11.754 ( -1.262 6.375 -3.586) 7.423 12.551 ( -2.485 -2.464 0.575) 3.547 12.605 ( -2.737 -1.283 -5.602) 6.365 13.064 ( -0.928 -1.721 3.335) 3.865 13.191 ( -0.946 -1.580 -4.727) 5.073 13.645 ( -0.013 -7.470 5.925) 9.535 13.807 ( -1.423 -11.866 -1.800) 12.086 14.268 ( 0.646 -4.109 6.074) 7.362 14.288 ( -3.289 -6.311 4.719) 8.539 14.899 ( 4.055 11.745 -11.081) 16.649 14.978 ( 4.456 6.791 6.409) 10.346 15.579 ( 4.995 -13.136 10.464) 17.521 15.633 ( 3.780 -6.543 -2.268) 7.890 15.866 ( 0.725 -2.655 1.706) 3.238 16.158 ( 2.773 -1.972 -13.637) 14.055 16.662 ( 1.021 2.693 7.252) 7.804 16.743 ( -0.062 1.307 -1.963) 2.359 17.012 ( 1.378 -0.337 2.420) 2.805 17.143 ( 3.800 -3.087 -5.394) 7.285 20.577 ( -2.072 -13.171 5.581) 14.454 20.780 ( -1.218 -8.444 -14.046) 16.434 21.272 ( 5.670 9.212 6.077) 12.407 21.438 ( 10.166 11.962 -2.459) 15.890 22.450 ( -3.200 3.557 3.607) 5.992 22.587 ( -1.320 11.892 3.499) 12.466 23.606 ( -1.342 0.715 9.856) 9.972 23.869 ( 0.234 0.523 -11.463) 11.477 24.224 ( -3.837 3.765 14.619) 15.576 24.701 ( 0.243 -2.388 -10.119) 10.400 26.092 ( 1.789 -9.307 -1.230) 9.557 26.285 ( 4.188 -13.522 -0.282) 14.158 26.597 ( 0.944 8.054 8.076) 11.445 26.766 ( 1.185 6.322 -7.240) 9.685 27.067 ( -0.416 5.073 2.162) 5.530 27.139 ( 1.441 9.424 -1.786) 9.699 27.382 ( -0.892 9.897 -4.728) 11.004 27.499 ( 2.006 11.604 3.381) 12.252 27.928 ( 6.153 5.375 1.535) 8.313 28.017 ( 4.661 5.614 -1.434) 7.436 28.191 ( 3.327 -0.910 11.936) 12.424 28.515 ( -0.767 -0.492 -7.931) 7.983 29.690 ( -10.680 -12.939 16.453) 23.498 29.966 ( -15.659 -9.412 -22.212) 28.761 30.790 ( -4.493 -4.856 1.844) 6.868 30.887 ( -2.620 -2.428 -0.214) 3.578 ======================= Grid point 167 (80/108) ======================= q-point: (-0.14 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( -9.596 8.744 35.826) 38.106 2.074 ( -12.142 7.531 26.120) 29.772 2.281 ( -0.651 10.299 -13.420) 16.929 2.701 ( 0.106 19.570 -26.728) 33.126 3.480 ( -39.198 30.612 33.256) 59.830 3.733 ( -19.222 6.203 -5.313) 20.885 3.781 ( -2.234 -2.034 0.906) 3.154 3.881 ( -2.254 1.703 -2.084) 3.511 4.099 ( -2.930 2.348 5.006) 6.258 4.208 ( -3.856 -2.613 3.651) 5.918 4.453 ( -3.771 5.564 0.722) 6.760 4.566 ( -4.932 1.779 -7.986) 9.553 4.622 ( 2.098 -7.666 -0.135) 7.949 4.738 ( -1.820 -0.270 -4.574) 4.930 4.890 ( 5.812 -8.711 -3.166) 10.940 5.069 ( 2.483 -0.450 -5.634) 6.174 5.120 ( 0.621 0.902 -4.683) 4.809 5.312 ( -6.180 -4.066 1.032) 7.470 5.450 ( 0.174 -9.325 -0.049) 9.327 5.561 ( -1.565 -3.420 -1.206) 3.950 5.616 ( -3.221 -0.959 -7.260) 8.000 5.734 ( -7.927 -7.574 2.083) 11.160 5.848 ( -3.255 -0.724 4.293) 5.436 5.907 ( 0.298 5.199 2.692) 5.862 5.994 ( -0.940 5.914 -0.649) 6.023 6.249 ( -1.575 -0.085 -4.744) 4.999 6.350 ( -0.645 -1.872 -15.577) 15.702 6.406 ( -6.727 -1.937 9.806) 12.048 6.495 ( 8.870 2.775 -3.661) 9.989 6.695 ( 0.367 3.894 5.138) 6.457 6.842 ( 8.858 5.852 -3.238) 11.099 6.968 ( 5.919 1.961 0.100) 6.236 7.136 ( 0.909 -1.305 0.377) 1.635 7.308 ( 0.205 5.748 1.556) 5.959 7.539 ( 3.421 -0.582 3.360) 4.830 7.659 ( 2.613 3.309 2.813) 5.069 8.086 ( 11.386 -2.212 -0.155) 11.600 8.199 ( 11.012 2.474 -0.466) 11.296 8.413 ( 8.686 -3.964 -1.820) 9.719 8.503 ( 5.250 0.956 -0.462) 5.356 8.528 ( 4.441 2.464 5.842) 7.741 8.627 ( 2.492 1.517 1.152) 3.137 8.762 ( 5.020 5.779 -2.629) 8.094 9.170 ( -0.012 1.216 -16.667) 16.711 9.278 ( 6.818 -1.343 12.508) 14.309 9.565 ( 1.940 8.566 6.393) 10.863 9.810 ( -0.290 5.536 -3.736) 6.685 10.053 ( -6.626 2.009 -5.639) 8.929 10.890 ( -4.080 -5.578 9.212) 11.516 11.033 ( -3.632 -5.211 -8.994) 11.011 11.583 ( 0.950 1.054 3.681) 3.945 11.717 ( -1.910 5.406 -3.486) 6.710 12.509 ( -1.174 -5.102 -0.082) 5.236 12.560 ( -1.793 -4.999 -3.018) 6.108 13.046 ( -0.812 -1.448 3.414) 3.796 13.167 ( -1.125 -1.136 -5.878) 6.091 13.653 ( 0.637 -9.792 4.935) 10.984 13.759 ( -2.580 -12.669 -0.886) 12.959 14.235 ( -0.958 -4.835 6.515) 8.170 14.302 ( 1.523 -4.779 2.557) 5.630 14.993 ( 3.382 9.771 -0.793) 10.370 15.068 ( 4.346 6.592 -2.318) 8.229 15.648 ( 0.664 -7.925 8.416) 11.579 15.718 ( 4.829 -5.317 -5.456) 9.020 15.920 ( 4.028 -3.108 6.730) 8.437 16.229 ( 4.031 -3.441 -14.287) 15.239 16.678 ( 0.488 2.166 6.251) 6.634 16.743 ( 0.031 1.042 -1.397) 1.743 17.052 ( 2.407 1.074 3.923) 4.726 17.235 ( 4.457 -3.849 -6.988) 9.138 20.523 ( -3.095 -12.668 6.987) 14.795 20.744 ( -1.896 -7.693 -15.704) 17.589 21.397 ( 6.116 10.308 7.871) 14.339 21.667 ( 9.498 14.387 -8.308) 19.137 22.416 ( 0.777 2.812 6.318) 6.959 22.547 ( -1.732 10.895 3.534) 11.584 23.587 ( -0.162 -0.859 11.124) 11.159 23.876 ( 0.400 -1.118 -11.831) 11.891 24.155 ( -2.213 3.163 15.113) 15.598 24.650 ( -5.242 -4.360 -10.922) 12.875 26.170 ( 5.331 -12.110 -1.889) 13.365 26.336 ( 0.257 -17.116 -1.409) 17.176 26.619 ( 1.104 7.238 8.050) 10.881 26.793 ( 1.283 4.578 -7.520) 8.897 27.063 ( -0.052 5.376 2.930) 6.123 27.156 ( 0.016 8.463 -4.456) 9.565 27.403 ( 3.799 13.710 -6.325) 15.569 27.550 ( 0.871 17.031 4.294) 17.586 28.062 ( 5.757 2.655 3.021) 7.023 28.095 ( 5.672 4.251 3.556) 7.930 28.326 ( 7.260 -2.539 1.035) 7.760 28.467 ( -4.261 -0.468 -4.113) 5.941 29.437 ( -11.171 -10.627 7.908) 17.328 29.636 ( -15.819 -5.070 -10.875) 19.855 30.674 ( -5.481 -3.380 3.463) 7.311 30.803 ( -4.982 -1.181 1.153) 5.248 ======================= Grid point 168 (81/108) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( 4.107 27.973 13.797) 31.459 2.417 ( 6.258 14.979 -3.403) 16.587 2.643 ( 9.878 19.692 17.839) 28.348 3.084 ( -7.396 14.284 -17.269) 23.600 3.595 ( -9.821 26.434 18.051) 33.482 3.746 ( 5.263 4.412 -0.869) 6.922 3.840 ( -9.211 6.127 4.723) 12.029 3.940 ( 9.161 14.234 -4.562) 17.531 4.071 ( 1.421 -5.108 8.541) 10.053 4.200 ( 3.173 3.416 4.854) 6.731 4.354 ( -3.631 -4.635 -3.823) 7.020 4.456 ( -3.913 -1.648 -7.137) 8.305 4.505 ( 1.118 -4.047 2.994) 5.157 4.687 ( 0.860 -3.421 -9.019) 9.684 4.840 ( 2.118 -2.395 4.169) 5.254 5.052 ( -4.141 7.586 -15.838) 18.043 5.178 ( -0.141 -3.041 1.150) 3.254 5.212 ( 1.447 -0.348 -3.157) 3.490 5.233 ( -5.731 -9.602 4.098) 11.910 5.324 ( 2.663 -9.678 -4.103) 10.844 5.621 ( -4.143 7.364 1.766) 8.632 5.687 ( 4.451 6.513 -3.002) 8.441 5.830 ( 0.359 -5.751 9.407) 11.032 5.945 ( -1.245 3.816 8.129) 9.066 6.053 ( 1.396 -7.841 -7.273) 10.785 6.149 ( -1.573 6.969 -8.401) 11.028 6.263 ( -9.572 3.584 7.198) 12.501 6.376 ( 6.873 0.961 0.941) 7.003 6.648 ( -2.666 -3.464 -4.815) 6.504 6.692 ( 6.945 0.262 -8.177) 10.732 7.026 ( 7.613 -0.999 1.154) 7.764 7.046 ( -5.988 -2.836 -1.273) 6.747 7.271 ( -9.465 3.856 5.495) 11.604 7.341 ( 4.999 5.442 -1.339) 7.509 7.625 ( 0.704 1.573 5.569) 5.830 7.720 ( 1.214 1.966 -2.666) 3.528 8.194 ( 2.562 0.421 1.818) 3.169 8.263 ( -2.662 0.607 -4.847) 5.563 8.529 ( -7.061 2.172 1.414) 7.522 8.561 ( 4.020 1.937 -1.573) 4.732 8.760 ( 4.191 4.158 6.956) 9.123 8.834 ( 5.633 4.069 0.603) 6.975 8.904 ( 0.102 10.428 4.866) 11.508 9.128 ( -9.953 5.432 -15.080) 18.867 9.360 ( 3.866 -2.433 14.300) 15.012 9.641 ( -0.857 0.583 -11.069) 11.117 9.992 ( 3.885 7.923 0.414) 8.834 10.032 ( -2.334 5.216 -2.956) 6.433 10.756 ( -1.009 -2.276 8.431) 8.791 10.925 ( 0.452 -1.829 -8.577) 8.782 11.614 ( 1.828 -1.688 6.917) 7.350 11.725 ( -1.200 -0.292 -3.023) 3.265 12.410 ( -0.419 1.821 0.269) 1.888 12.478 ( -0.584 -0.159 -5.413) 5.447 12.940 ( -1.848 -7.527 3.342) 8.441 13.072 ( 1.621 -9.071 -8.224) 12.351 13.423 ( -0.608 -10.402 5.418) 11.744 13.519 ( 1.501 -8.951 -4.533) 10.145 14.139 ( -0.154 -4.849 9.124) 10.333 14.218 ( 0.949 -5.448 1.536) 5.740 14.959 ( -2.810 -12.285 9.451) 15.752 15.094 ( 1.131 -12.584 -1.274) 12.699 15.525 ( -1.467 -1.098 4.918) 5.248 15.684 ( 1.453 -6.478 -10.697) 12.590 15.926 ( 0.710 -2.527 6.439) 6.953 16.166 ( 0.796 -6.156 -13.669) 15.013 16.707 ( 0.152 0.310 2.881) 2.902 16.764 ( -0.008 0.859 -1.792) 1.987 17.098 ( -2.857 1.736 7.589) 8.292 17.253 ( 2.093 -1.255 -5.896) 6.381 20.388 ( -0.302 3.575 8.751) 9.458 20.646 ( 0.081 1.902 -16.150) 16.262 21.681 ( -0.051 6.501 16.269) 17.520 21.984 ( -1.194 7.576 -13.155) 15.227 22.427 ( 2.214 -7.100 12.074) 14.180 22.648 ( -0.162 1.391 -9.961) 10.059 23.652 ( 0.648 7.721 8.104) 11.212 23.884 ( -0.897 5.078 -13.604) 14.548 24.206 ( 1.723 2.522 17.989) 18.247 24.519 ( -3.200 1.842 -11.250) 11.841 25.982 ( -2.156 -10.874 0.721) 11.109 25.994 ( 1.251 -12.253 -0.797) 12.342 26.756 ( -0.170 6.176 7.699) 9.871 26.885 ( 0.129 3.684 -4.455) 5.782 27.176 ( -1.879 6.359 7.931) 10.338 27.352 ( 1.335 10.091 -9.717) 14.072 27.783 ( -10.138 14.825 2.873) 18.189 27.869 ( 8.496 14.501 -5.333) 17.633 28.193 ( 0.017 5.033 5.128) 7.185 28.265 ( 3.523 -0.784 3.740) 5.198 28.294 ( -3.061 1.185 -1.813) 3.749 28.386 ( 2.033 -2.594 -5.396) 6.323 29.138 ( -8.964 -5.956 12.482) 16.481 29.392 ( 8.513 -9.557 -12.322) 17.766 30.633 ( 4.404 -1.441 2.416) 5.226 30.672 ( -2.376 -3.093 -1.271) 4.102 ======================= Grid point 169 (82/108) ======================= q-point: ( 0.14 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( 12.815 26.026 5.710) 29.567 2.640 ( 12.789 16.048 1.088) 20.550 2.718 ( 3.114 16.407 4.054) 17.185 2.911 ( -5.722 16.855 -21.869) 28.197 3.688 ( -3.785 -2.077 2.428) 4.953 3.776 ( 18.220 13.475 6.613) 23.607 3.836 ( 2.513 4.518 4.458) 6.827 4.141 ( 8.308 3.212 14.852) 17.318 4.193 ( 3.590 -0.858 4.427) 5.764 4.269 ( 3.859 3.431 -2.253) 5.634 4.353 ( 7.949 2.428 0.912) 8.361 4.445 ( 2.679 -0.689 -6.331) 6.909 4.608 ( 9.022 -3.522 4.726) 10.776 4.755 ( 4.310 -2.908 -4.027) 6.576 4.884 ( 1.330 -3.435 5.711) 6.796 4.984 ( 0.280 11.128 -13.637) 17.603 5.068 ( -7.340 -6.666 1.724) 10.064 5.211 ( 4.756 -3.712 -1.024) 6.120 5.256 ( 1.363 -6.191 0.937) 6.408 5.457 ( 8.042 -8.669 -0.219) 11.827 5.582 ( -0.821 8.966 -1.877) 9.197 5.721 ( 0.255 1.548 -1.104) 1.918 5.836 ( 1.969 1.112 5.520) 5.965 5.950 ( 0.368 1.333 9.383) 9.484 6.067 ( -3.188 4.491 2.190) 5.927 6.124 ( 0.352 -3.089 -1.282) 3.363 6.226 ( 7.664 9.644 -4.635) 13.161 6.428 ( 0.509 1.711 2.407) 2.996 6.697 ( 6.055 -1.295 -8.800) 10.760 6.785 ( -2.418 -1.557 -3.810) 4.773 6.852 ( -7.734 -2.708 -0.116) 8.195 7.047 ( -8.854 11.205 -1.067) 14.321 7.156 ( 5.290 2.362 0.986) 5.877 7.413 ( 1.741 1.713 1.790) 3.028 7.538 ( -3.807 -2.873 1.160) 4.909 7.780 ( -1.654 3.779 0.307) 4.137 8.086 ( -11.279 -1.187 -4.017) 12.031 8.206 ( -6.928 1.743 1.720) 7.348 8.325 ( -8.218 0.243 0.217) 8.225 8.565 ( -6.076 4.442 2.679) 7.989 8.617 ( -14.637 4.726 -0.157) 15.382 8.754 ( -7.209 -0.480 0.156) 7.227 8.927 ( -5.384 4.745 -9.860) 12.195 9.006 ( -0.752 9.288 6.221) 11.204 9.407 ( -0.727 -3.670 11.256) 11.862 9.640 ( 0.016 1.266 -13.297) 13.357 9.984 ( -0.728 8.955 -4.499) 10.048 10.134 ( 7.588 7.611 -0.106) 10.748 10.764 ( 1.600 -3.329 8.239) 9.029 10.963 ( 2.986 -2.934 -8.347) 9.338 11.664 ( 2.745 -2.949 6.930) 8.016 11.720 ( 0.744 1.787 -3.276) 3.805 12.420 ( 1.811 2.413 1.413) 3.331 12.514 ( 3.808 1.720 -4.926) 6.459 12.924 ( 0.463 -8.027 3.781) 8.885 13.122 ( 2.455 -6.040 -7.426) 9.882 13.410 ( 0.248 -14.153 4.235) 14.775 13.572 ( 2.586 -7.570 -4.772) 9.314 14.130 ( -0.896 -6.173 8.089) 10.215 14.240 ( 1.327 -5.211 1.307) 5.534 14.888 ( -3.763 -8.010 10.541) 13.764 15.114 ( 0.730 -13.516 0.466) 13.544 15.457 ( -4.425 1.612 1.369) 4.904 15.693 ( -2.130 -7.294 -8.274) 11.233 15.819 ( -8.394 -5.299 4.416) 10.865 16.158 ( -1.582 -4.277 -12.738) 13.530 16.709 ( 0.062 0.389 2.735) 2.764 16.766 ( 0.109 0.651 -1.877) 1.989 16.998 ( -5.717 1.377 8.419) 10.269 17.252 ( -2.296 -1.383 -5.580) 6.190 20.403 ( 1.580 2.880 8.001) 8.649 20.658 ( 0.949 1.996 -15.173) 15.333 21.598 ( -7.367 4.081 14.255) 16.557 21.859 ( -8.951 12.651 -9.756) 18.313 22.463 ( 1.117 -7.107 9.343) 11.792 22.675 ( 1.861 -0.126 -9.854) 10.029 23.678 ( 1.698 6.732 9.485) 11.754 23.890 ( 1.501 6.719 -13.716) 15.347 24.283 ( 4.786 1.124 20.213) 20.803 24.503 ( 1.528 2.796 -10.680) 11.145 25.929 ( -1.830 -8.449 0.442) 8.657 26.012 ( -0.123 -12.083 0.681) 12.103 26.749 ( -0.422 6.833 7.872) 10.433 26.886 ( -0.105 3.659 -4.472) 5.779 27.141 ( -1.271 5.294 7.114) 8.958 27.376 ( 0.706 11.311 -7.787) 13.750 27.584 ( -7.343 13.565 3.784) 15.882 27.973 ( 0.084 13.734 -3.965) 14.295 28.141 ( -5.162 5.054 2.976) 7.813 28.174 ( -3.495 5.437 1.796) 6.708 28.365 ( 1.429 -1.380 0.632) 2.085 28.440 ( 2.116 1.273 -6.604) 7.050 29.036 ( 2.609 -7.590 12.273) 14.664 29.632 ( 12.193 -15.090 -12.590) 23.127 30.663 ( 1.590 -3.843 -1.828) 4.543 30.766 ( 6.729 -4.761 -1.178) 8.327 ======================= Grid point 170 (83/108) ======================= q-point: ( 0.29 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( 6.789 22.986 9.689) 25.852 2.758 ( 4.803 13.305 -12.404) 18.813 2.984 ( 15.413 13.354 -7.159) 21.613 3.085 ( 22.397 4.793 -10.078) 25.023 3.648 ( -1.583 -6.104 2.506) 6.785 3.777 ( -3.513 4.667 3.303) 6.711 4.042 ( 6.369 -2.442 -0.788) 6.867 4.100 ( -8.257 -0.909 -2.887) 8.794 4.206 ( -6.226 -2.797 7.001) 9.778 4.337 ( 0.119 0.344 1.013) 1.076 4.575 ( 5.047 5.329 -0.592) 7.363 4.680 ( -2.846 6.420 3.567) 7.877 4.702 ( 21.284 5.298 3.316) 22.183 4.811 ( -3.135 -1.352 2.815) 4.425 4.874 ( -2.689 -6.954 0.599) 7.480 4.987 ( 11.458 1.454 8.604) 14.402 5.132 ( 3.059 -0.667 0.768) 3.224 5.304 ( 8.191 -4.352 -3.219) 9.819 5.410 ( 11.793 -3.520 -5.967) 13.678 5.505 ( -2.246 -1.753 -3.015) 4.149 5.639 ( 7.611 -4.800 4.479) 10.051 5.783 ( 1.153 1.871 4.619) 5.115 5.882 ( 9.205 7.066 2.097) 11.792 6.040 ( 2.346 5.937 8.420) 10.567 6.087 ( 7.838 8.271 4.238) 12.158 6.174 ( 7.692 -1.879 2.084) 8.188 6.384 ( 2.979 10.259 2.355) 10.939 6.503 ( 8.010 1.860 -0.370) 8.231 6.608 ( -3.977 0.322 -4.666) 6.139 6.709 ( -4.200 5.719 1.997) 7.371 6.857 ( 4.841 -5.829 -0.592) 7.600 7.072 ( 8.541 9.703 -11.552) 17.336 7.225 ( 0.418 2.342 -1.857) 3.018 7.416 ( -2.886 5.310 -0.667) 6.081 7.499 ( -1.506 -2.724 1.022) 3.277 7.619 ( -11.108 1.989 -3.768) 11.897 7.802 ( -14.088 -1.574 -1.824) 14.293 7.996 ( -11.111 4.017 -3.677) 12.374 8.127 ( -12.680 3.696 -0.080) 13.208 8.290 ( -18.332 5.859 4.870) 19.853 8.380 ( -10.649 0.460 5.165) 11.844 8.550 ( -12.635 -4.735 -2.532) 13.729 8.845 ( -1.580 5.121 -13.768) 14.775 8.920 ( -7.239 4.628 11.092) 14.030 9.336 ( -4.536 0.050 6.167) 7.656 9.612 ( -3.211 0.634 -11.087) 11.560 10.010 ( 3.578 10.469 -4.247) 11.851 10.252 ( 2.829 10.366 0.125) 10.745 10.803 ( 1.884 -4.760 7.348) 8.955 11.023 ( 2.341 -4.561 -9.442) 10.744 11.712 ( 1.492 -1.669 7.777) 8.092 11.750 ( 2.151 2.017 -3.131) 4.301 12.490 ( 4.779 4.438 3.329) 7.322 12.615 ( 5.585 2.642 -5.702) 8.407 12.954 ( 2.242 -7.209 3.682) 8.400 13.147 ( -0.043 -3.884 -4.934) 6.279 13.449 ( 3.221 -15.539 3.461) 16.243 13.604 ( 0.688 -6.499 -4.598) 7.990 14.106 ( -1.113 -7.001 6.336) 9.507 14.262 ( 0.219 -7.073 1.646) 7.266 14.833 ( -0.911 -2.052 11.262) 11.483 15.122 ( 0.048 -14.910 1.978) 15.041 15.371 ( -3.581 2.725 -4.739) 6.536 15.500 ( -12.923 -3.558 -3.918) 13.965 15.764 ( 0.592 -10.153 4.484) 11.115 16.109 ( -2.819 -3.872 -13.185) 14.027 16.709 ( -0.135 0.953 2.969) 3.121 16.768 ( 0.098 0.311 -2.213) 2.237 16.905 ( -2.944 -0.400 8.282) 8.799 17.175 ( -4.620 -2.279 -5.844) 7.790 20.438 ( 1.507 1.450 7.054) 7.358 20.675 ( 0.614 1.211 -14.177) 14.242 21.443 ( -6.649 4.875 10.675) 13.488 21.675 ( -8.317 13.518 -7.791) 17.680 22.481 ( 0.661 -7.610 10.903) 13.312 22.708 ( 1.388 1.247 -10.606) 10.769 23.712 ( 1.491 6.668 10.478) 12.509 23.930 ( 2.090 7.823 -13.129) 15.425 24.363 ( 2.560 1.302 20.451) 20.652 24.562 ( 3.795 3.315 -9.639) 10.877 25.918 ( 0.562 -7.417 -0.520) 7.456 25.993 ( -1.582 -11.002 1.450) 11.209 26.742 ( -0.246 7.366 7.964) 10.852 26.879 ( -0.464 3.836 -4.283) 5.769 27.132 ( 0.454 4.482 6.335) 7.773 27.371 ( -1.112 13.078 -5.885) 14.384 27.508 ( -0.592 9.887 3.328) 10.449 27.880 ( -6.730 12.578 -5.080) 15.143 28.046 ( -4.687 8.721 2.650) 10.250 28.110 ( -2.843 7.286 0.236) 7.824 28.354 ( -1.585 1.214 6.315) 6.623 28.468 ( 1.328 2.455 -9.605) 10.002 29.214 ( 11.974 -11.670 14.430) 22.085 29.844 ( 8.178 -19.846 -15.778) 26.640 30.713 ( 2.661 -5.228 -0.250) 5.872 30.852 ( 1.329 -6.324 -3.665) 7.429 ======================= Grid point 171 (84/108) ======================= q-point: ( 0.43 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.693 ( 5.604 9.046 2.419) 10.912 2.826 ( 1.157 11.467 -11.319) 16.154 3.382 ( 19.857 2.004 -4.028) 20.361 3.486 ( 12.787 -0.115 -6.506) 14.348 3.545 ( -7.018 0.859 5.601) 9.020 3.713 ( -6.985 1.421 -2.196) 7.458 3.855 ( -11.754 3.714 16.381) 20.501 4.102 ( 4.146 8.261 -11.444) 14.710 4.200 ( 2.612 -2.964 4.327) 5.859 4.290 ( -2.306 -5.679 -2.741) 6.715 4.494 ( -5.897 10.075 1.095) 11.725 4.518 ( -8.456 2.668 9.180) 12.763 4.778 ( -0.800 -4.580 1.230) 4.809 4.853 ( 0.893 -0.137 -0.030) 0.904 5.040 ( 9.392 2.403 -2.484) 10.008 5.160 ( 1.390 -5.625 1.307) 5.940 5.183 ( 1.224 1.786 -0.988) 2.380 5.351 ( -2.183 -6.504 -3.237) 7.586 5.583 ( 9.838 -7.161 -1.125) 12.220 5.695 ( 7.269 5.888 -3.447) 9.970 5.725 ( 5.194 -5.625 2.838) 8.166 5.843 ( 0.762 1.438 6.338) 6.543 6.027 ( 4.857 0.576 2.841) 5.656 6.128 ( -1.036 1.250 -1.197) 2.017 6.203 ( 9.551 0.572 8.422) 12.747 6.392 ( 5.344 2.117 0.513) 5.770 6.448 ( 8.714 7.105 2.400) 11.497 6.568 ( 0.519 12.567 6.601) 14.205 6.710 ( 9.230 2.378 -0.822) 9.567 6.881 ( 17.925 10.746 4.670) 21.415 6.936 ( 1.151 -7.417 -2.021) 7.773 7.118 ( -4.939 5.844 -1.020) 7.719 7.178 ( -8.794 -1.263 1.934) 9.092 7.294 ( -8.880 4.743 -0.683) 10.090 7.345 ( 0.718 5.607 -7.513) 9.402 7.513 ( -3.911 4.954 -10.394) 12.161 7.673 ( -3.798 6.709 0.772) 7.748 7.833 ( -1.725 3.052 -0.646) 3.565 7.858 ( -11.443 5.193 3.625) 13.079 7.905 ( -16.436 3.713 -3.397) 17.189 8.194 ( -4.949 -0.489 2.705) 5.662 8.285 ( -9.516 -4.849 -3.868) 11.359 8.747 ( -8.781 2.588 13.637) 16.424 8.886 ( 5.460 2.790 -15.479) 16.649 9.274 ( -2.268 1.049 9.449) 9.774 9.537 ( -2.060 3.676 -16.055) 16.599 10.117 ( 6.033 9.415 -1.038) 11.230 10.236 ( -3.896 12.163 0.010) 12.771 10.834 ( 1.125 -5.645 7.661) 9.583 11.046 ( -0.067 -5.580 -10.819) 12.174 11.713 ( -1.263 0.811 8.627) 8.757 11.797 ( 2.118 0.972 -2.604) 3.494 12.585 ( 3.586 5.191 4.245) 7.604 12.710 ( 2.999 2.627 -6.887) 7.958 13.002 ( 2.012 -5.751 3.825) 7.193 13.129 ( -1.226 -5.001 -4.312) 6.716 13.504 ( 1.268 -11.609 4.521) 12.522 13.614 ( 0.566 -6.845 -5.555) 8.833 14.107 ( 1.622 -7.655 6.550) 10.204 14.229 ( -3.446 -8.885 1.141) 9.598 14.864 ( 3.561 0.104 11.901) 12.423 15.121 ( 0.017 -16.229 3.184) 16.538 15.259 ( -9.270 2.642 -4.468) 10.624 15.335 ( -0.358 -3.700 -8.393) 9.179 15.780 ( 0.615 -8.982 7.846) 11.942 16.059 ( -1.875 -4.776 -13.927) 14.842 16.703 ( -0.380 1.354 3.500) 3.772 16.770 ( 0.145 0.289 -2.445) 2.466 16.886 ( 0.930 -2.107 7.475) 7.821 17.088 ( -3.474 -3.119 -6.324) 7.861 20.460 ( 0.621 0.562 6.768) 6.819 20.680 ( -0.042 0.028 -13.800) 13.800 21.357 ( -1.558 7.109 9.059) 11.621 21.546 ( -3.997 12.393 -7.084) 14.824 22.490 ( 0.173 -7.283 12.105) 14.127 22.730 ( 0.763 1.473 -11.689) 11.806 23.731 ( 0.209 7.169 10.874) 13.026 23.963 ( 1.024 8.278 -12.373) 14.922 24.385 ( -0.264 2.008 19.096) 19.203 24.640 ( 3.559 3.401 -9.492) 10.693 25.932 ( -0.327 -9.056 1.881) 9.255 25.966 ( 0.050 -8.541 -1.164) 8.620 26.739 ( -0.006 7.519 8.070) 11.030 26.870 ( -0.383 3.963 -4.114) 5.725 27.157 ( 1.902 4.488 6.496) 8.122 27.335 ( -2.193 11.509 -6.515) 13.406 27.542 ( 3.639 9.786 3.864) 11.132 27.752 ( -5.620 13.541 -5.802) 15.767 27.986 ( -0.541 7.713 1.661) 7.908 28.049 ( -3.023 6.789 -1.383) 7.559 28.317 ( -1.926 5.591 10.219) 11.807 28.498 ( 1.389 2.363 -10.302) 10.661 29.435 ( 8.314 -14.330 18.152) 24.576 29.940 ( 0.820 -22.676 -20.854) 30.818 30.755 ( 1.361 -5.627 1.746) 6.046 30.839 ( -1.742 -5.297 -3.347) 6.504 ======================= Grid point 172 (85/108) ======================= q-point: (-0.43 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.657 ( -11.061 5.525 3.773) 12.926 2.792 ( -2.845 13.750 -6.923) 15.655 3.185 ( -24.726 -1.090 13.986) 28.428 3.460 ( -13.345 3.629 -2.680) 14.087 3.650 ( 1.688 2.995 -2.424) 4.206 3.722 ( 12.455 2.962 -3.996) 13.412 3.847 ( 8.393 12.583 7.711) 16.977 4.118 ( -6.243 -6.708 -0.708) 9.191 4.258 ( 1.256 0.863 -3.539) 3.853 4.279 ( 4.225 -4.743 -3.981) 7.496 4.432 ( 5.927 -1.607 9.942) 11.686 4.600 ( 10.199 8.945 -2.902) 13.873 4.742 ( -1.289 -3.310 2.549) 4.372 4.917 ( 3.770 -1.000 0.905) 4.004 4.990 ( -12.767 3.077 -2.743) 13.416 5.172 ( -0.479 2.677 -1.174) 2.962 5.203 ( 3.254 -2.582 5.559) 6.940 5.327 ( -1.359 -5.621 -8.245) 10.071 5.536 ( -10.609 -7.945 2.562) 13.500 5.679 ( -14.872 5.922 -0.374) 16.012 5.786 ( 0.945 -1.803 -2.906) 3.549 5.903 ( 3.496 0.814 1.372) 3.843 6.057 ( -0.868 -4.903 -1.883) 5.324 6.151 ( 4.552 0.458 0.424) 4.595 6.283 ( -4.993 -0.457 7.410) 8.947 6.329 ( -8.015 8.710 -2.033) 12.010 6.501 ( -2.484 1.177 -1.096) 2.960 6.603 ( 1.134 11.589 0.138) 11.645 6.783 ( -8.820 -2.071 -2.052) 9.290 6.890 ( -4.544 6.726 -0.741) 8.150 6.958 ( -4.711 2.000 11.214) 12.327 7.062 ( -6.028 6.816 -4.533) 10.166 7.147 ( -6.942 8.863 1.665) 11.381 7.254 ( 2.665 6.227 -1.617) 6.964 7.292 ( 14.871 2.701 1.315) 15.172 7.500 ( -3.237 -2.733 -13.488) 14.137 7.657 ( 1.487 6.501 9.771) 11.830 7.695 ( 1.759 1.187 0.699) 2.234 7.872 ( 20.186 0.916 5.023) 20.822 7.931 ( 7.611 2.971 -1.202) 8.259 8.231 ( 6.898 2.900 -0.484) 7.498 8.321 ( 10.633 -3.113 -6.288) 12.739 8.632 ( -0.707 3.813 8.275) 9.139 9.038 ( 8.459 3.358 -13.842) 16.566 9.194 ( -4.630 3.082 9.427) 10.945 9.589 ( 5.917 3.032 -14.618) 16.059 10.100 ( -7.308 11.401 0.868) 13.570 10.236 ( 3.419 8.666 -0.324) 9.322 10.847 ( 0.016 -5.464 8.498) 10.103 11.027 ( -1.601 -5.283 -10.912) 12.229 11.672 ( -2.489 1.628 8.673) 9.168 11.825 ( 0.377 -0.033 -1.456) 1.505 12.604 ( -1.967 3.541 3.036) 5.062 12.714 ( -2.587 2.805 -7.493) 8.409 13.016 ( -0.528 -4.862 2.156) 5.345 13.125 ( 0.844 -5.106 -3.876) 6.465 13.492 ( -2.034 -9.884 4.540) 11.066 13.617 ( -0.816 -8.266 -4.476) 9.435 14.155 ( -2.745 -8.277 0.811) 8.758 14.161 ( 2.711 -7.225 8.271) 11.312 14.945 ( 3.596 -3.285 12.565) 13.476 15.089 ( -3.423 -4.617 -7.602) 9.530 15.183 ( 2.868 -8.468 7.162) 11.455 15.376 ( 4.515 -2.342 -11.639) 12.702 15.781 ( -0.503 -7.148 9.546) 11.936 16.040 ( 0.084 -6.228 -13.342) 14.724 16.697 ( -0.148 0.681 3.314) 3.387 16.772 ( 0.061 0.785 -2.108) 2.251 16.935 ( 3.562 -1.792 6.666) 7.768 17.049 ( -0.070 -3.029 -6.346) 7.032 20.464 ( -0.231 0.894 7.036) 7.096 20.676 ( -0.283 -0.816 -14.057) 14.083 21.379 ( 3.516 9.271 8.832) 13.278 21.523 ( 1.973 9.870 -6.800) 12.147 22.485 ( -0.689 -5.410 12.005) 13.186 22.736 ( -0.214 0.401 -11.716) 11.725 23.720 ( -1.263 7.499 10.983) 13.359 23.969 ( -0.476 8.146 -11.670) 14.240 24.359 ( -2.123 2.661 16.528) 16.874 24.694 ( 1.513 2.672 -9.737) 10.210 25.907 ( -1.167 -8.774 2.334) 9.154 25.995 ( 1.858 -9.253 -2.002) 9.648 26.741 ( 0.184 6.998 7.834) 10.506 26.867 ( 0.126 4.280 -3.749) 5.692 27.194 ( 1.138 5.877 6.145) 8.578 27.307 ( 0.110 9.526 -7.047) 11.850 27.609 ( 0.522 11.183 1.828) 11.343 27.688 ( 1.518 13.380 -3.996) 14.046 28.013 ( 0.411 5.936 -0.870) 6.014 28.018 ( 3.225 5.853 1.691) 6.894 28.278 ( -1.906 8.648 10.412) 13.668 28.518 ( 0.492 1.698 -8.995) 9.167 29.507 ( -1.883 -16.776 17.620) 24.402 29.880 ( -6.024 -20.292 -21.667) 30.291 30.758 ( -1.574 -5.096 2.359) 5.832 30.813 ( -0.383 -5.363 -1.803) 5.671 ======================= Grid point 173 (86/108) ======================= q-point: (-0.29 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( -12.774 13.540 18.997) 26.597 2.632 ( -18.198 12.908 6.501) 23.239 2.762 ( -10.301 17.403 5.023) 20.838 3.166 ( -11.092 12.189 -9.654) 19.100 3.694 ( 1.363 -4.370 -0.863) 4.658 3.856 ( 1.155 2.809 -4.597) 5.510 4.000 ( -3.804 -0.485 2.516) 4.586 4.033 ( 6.425 1.366 -0.693) 6.605 4.295 ( 5.649 -7.528 2.214) 9.669 4.389 ( 3.197 -9.390 -3.996) 10.694 4.517 ( -4.372 4.497 4.534) 7.739 4.623 ( -13.646 0.114 4.728) 14.443 4.768 ( 2.693 7.729 -3.632) 8.954 4.793 ( -2.654 4.342 4.980) 7.120 4.964 ( -2.136 0.143 -1.315) 2.512 5.084 ( -15.197 11.631 4.288) 19.612 5.144 ( -4.120 0.010 -5.815) 7.127 5.234 ( -2.220 -0.176 -1.683) 2.792 5.341 ( -7.529 -9.217 2.841) 12.236 5.449 ( 2.141 0.294 -0.078) 2.162 5.737 ( -6.309 -3.691 -3.629) 8.161 5.889 ( -4.726 5.725 -1.411) 7.557 5.939 ( -8.936 0.939 -3.934) 9.809 6.059 ( -8.934 -3.451 1.812) 9.748 6.170 ( -6.524 0.683 -1.863) 6.819 6.352 ( 5.431 1.387 -2.033) 5.963 6.410 ( -7.225 -3.345 3.506) 8.700 6.511 ( -7.952 9.613 1.235) 12.537 6.580 ( -6.360 6.862 -13.745) 16.628 6.743 ( -5.019 4.901 2.359) 7.401 6.844 ( 0.970 6.542 4.287) 7.882 6.903 ( -4.136 1.402 -5.233) 6.816 7.179 ( -0.032 0.828 2.137) 2.292 7.378 ( 5.564 6.116 2.872) 8.753 7.483 ( 3.038 0.576 0.738) 3.179 7.588 ( 10.102 -0.178 1.293) 10.186 7.761 ( 13.472 0.773 0.362) 13.499 7.923 ( 16.157 1.915 2.967) 16.538 8.126 ( 11.486 0.430 -0.794) 11.522 8.342 ( 16.370 -2.152 9.999) 19.303 8.401 ( 10.686 4.888 -1.922) 11.907 8.540 ( 8.956 -2.315 -5.310) 10.666 8.728 ( 8.366 9.281 -0.297) 12.498 9.154 ( 2.650 3.623 0.019) 4.489 9.196 ( 5.700 4.293 -1.802) 7.360 9.690 ( 2.498 1.211 -9.105) 9.518 9.969 ( -4.350 10.048 -1.554) 11.059 10.246 ( -2.857 6.778 0.472) 7.370 10.832 ( -1.470 -4.340 8.221) 9.412 10.989 ( -2.044 -3.721 -9.623) 10.518 11.623 ( -2.043 1.209 8.031) 8.374 11.809 ( -1.805 -1.260 -0.885) 2.373 12.522 ( -5.041 1.340 1.223) 5.357 12.629 ( -5.075 2.446 -7.497) 9.378 12.999 ( -0.989 -4.526 -0.380) 4.649 13.129 ( -1.191 -5.654 -3.674) 6.848 13.441 ( -2.424 -11.794 3.931) 12.666 13.581 ( -2.318 -8.851 -1.399) 9.255 14.136 ( 0.562 -6.954 1.838) 7.215 14.190 ( 0.172 -5.184 9.019) 10.404 14.990 ( 0.854 -9.952 10.151) 14.241 15.059 ( 0.269 -4.439 -6.857) 8.173 15.305 ( 8.497 -5.638 4.359) 11.090 15.515 ( 8.436 -1.331 -8.542) 12.079 15.769 ( -0.173 -6.131 8.626) 10.584 16.063 ( 2.177 -6.797 -11.407) 13.456 16.697 ( 0.147 0.169 2.960) 2.968 16.771 ( -0.159 1.001 -1.821) 2.084 17.013 ( 3.893 -0.135 3.961) 5.556 17.092 ( 4.078 -2.054 -3.640) 5.839 20.448 ( -1.325 1.975 7.575) 7.940 20.668 ( -0.540 -0.540 -14.977) 14.996 21.484 ( 6.271 10.238 10.020) 15.638 21.634 ( 8.936 6.462 -7.045) 13.085 22.460 ( -1.763 -3.097 11.326) 11.874 22.720 ( -1.312 -0.260 -10.337) 10.423 23.686 ( -1.839 7.612 10.466) 13.071 23.946 ( -1.561 7.165 -11.354) 13.516 24.302 ( -3.514 3.111 13.979) 14.746 24.691 ( -2.043 1.472 -9.995) 10.307 25.901 ( 0.815 -8.622 0.694) 8.688 26.026 ( 1.010 -11.329 -1.453) 11.466 26.747 ( 0.348 6.164 7.361) 9.607 26.873 ( 0.440 4.504 -3.498) 5.720 27.201 ( 0.032 7.645 3.560) 8.434 27.328 ( 1.009 8.445 -5.894) 10.347 27.609 ( 1.545 12.015 -5.083) 13.137 27.773 ( 5.415 13.994 4.190) 15.579 28.073 ( 4.316 7.724 0.393) 8.857 28.111 ( 6.179 0.160 0.507) 6.202 28.242 ( -1.532 9.390 9.664) 13.561 28.512 ( -1.308 0.553 -7.043) 7.185 29.371 ( -9.972 -16.939 7.846) 21.165 29.716 ( -9.967 -14.463 -12.200) 21.386 30.696 ( -4.079 -4.230 1.235) 6.005 30.803 ( -1.352 -5.407 0.790) 5.629 ======================= Grid point 174 (87/108) ======================= q-point: (-0.14 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( -6.151 22.782 24.128) 33.750 2.349 ( -3.154 18.589 17.524) 25.741 2.583 ( -6.411 18.123 -1.555) 19.286 3.103 ( 2.640 17.789 -13.996) 22.788 3.700 ( -0.139 -3.788 1.510) 4.080 3.866 ( -2.669 -0.261 -0.678) 2.766 3.894 ( -3.626 7.185 -6.494) 10.341 4.095 ( -18.724 11.762 11.957) 25.138 4.107 ( -3.330 1.774 4.380) 5.781 4.309 ( -19.285 15.282 4.328) 24.983 4.429 ( 4.070 -8.389 -1.755) 9.488 4.447 ( -1.703 -5.824 -2.587) 6.596 4.595 ( -5.948 5.675 8.764) 12.016 4.744 ( -4.886 -2.911 -4.596) 7.312 4.838 ( -4.956 2.855 -4.098) 7.036 5.063 ( 5.152 -0.998 -4.168) 6.702 5.150 ( 0.907 -5.316 -8.987) 10.481 5.186 ( -0.413 1.152 -2.866) 3.116 5.280 ( -1.697 -4.513 0.390) 4.837 5.465 ( -8.942 -6.590 0.822) 11.138 5.593 ( 1.719 4.757 -2.663) 5.716 5.719 ( -5.766 3.389 -3.713) 7.650 5.877 ( -6.361 1.217 4.524) 7.900 5.952 ( 2.255 -0.666 0.177) 2.358 6.064 ( -3.555 -3.774 1.429) 5.378 6.243 ( -3.417 4.110 0.296) 5.353 6.311 ( -6.733 3.144 -6.890) 10.134 6.449 ( -7.101 2.384 9.782) 12.321 6.541 ( 5.585 3.191 -11.506) 13.182 6.707 ( 0.030 -1.125 -0.003) 1.126 6.873 ( 4.531 -3.596 -1.732) 6.038 7.036 ( 8.440 -0.087 1.940) 8.660 7.203 ( 4.307 9.984 -2.566) 11.172 7.404 ( -2.291 2.872 2.442) 4.412 7.530 ( 2.897 -0.955 1.751) 3.517 7.734 ( 3.400 3.649 4.486) 6.708 8.060 ( 11.265 0.099 -2.690) 11.582 8.238 ( 9.122 1.624 -0.766) 9.297 8.342 ( 10.476 -2.572 -1.870) 10.948 8.532 ( 10.663 1.043 11.246) 15.532 8.614 ( 8.209 5.839 -0.540) 10.088 8.674 ( 3.001 3.059 -2.425) 4.924 8.888 ( 5.333 8.099 -0.963) 9.745 9.234 ( 1.149 4.458 -10.453) 11.422 9.281 ( 3.733 2.084 10.426) 11.269 9.682 ( -2.339 0.017 -6.534) 6.940 9.937 ( 0.867 7.432 -2.463) 7.877 10.135 ( -6.736 5.907 0.048) 8.959 10.793 ( -2.177 -2.726 7.956) 8.687 10.945 ( -2.030 -2.178 -8.929) 9.412 11.598 ( -0.299 -0.222 7.320) 7.329 11.763 ( -2.377 -1.458 -1.762) 3.299 12.439 ( -2.746 0.712 0.181) 2.843 12.531 ( -4.134 1.144 -6.764) 8.009 12.977 ( -1.344 -5.342 0.786) 5.564 13.081 ( -2.447 -8.928 -5.765) 10.906 13.417 ( 0.221 -10.666 3.617) 11.265 13.534 ( -2.107 -9.173 -0.845) 9.450 14.144 ( -0.208 -5.090 7.042) 8.692 14.198 ( 0.962 -5.155 4.366) 6.823 14.993 ( -0.592 -12.277 9.043) 15.260 15.073 ( 0.889 -10.515 -3.920) 11.258 15.478 ( 6.585 -3.084 0.883) 7.325 15.647 ( 3.063 -1.696 -6.442) 7.332 15.823 ( 6.282 -4.673 7.650) 10.946 16.122 ( 3.245 -6.568 -11.585) 13.707 16.702 ( 0.290 0.211 2.865) 2.887 16.767 ( -0.237 0.948 -1.752) 2.006 17.089 ( 3.086 1.307 4.352) 5.493 17.184 ( 4.327 -1.370 -3.606) 5.797 20.413 ( -1.881 3.042 8.333) 9.068 20.654 ( -0.719 0.715 -16.027) 16.059 21.613 ( 5.789 9.443 13.210) 17.239 21.859 ( 11.502 3.493 -10.196) 15.762 22.421 ( -1.646 -2.471 11.821) 12.188 22.682 ( -2.308 0.547 -8.873) 9.184 23.655 ( -0.984 7.795 8.882) 11.859 23.913 ( -1.636 5.561 -12.129) 13.443 24.228 ( -3.236 3.386 14.118) 14.875 24.614 ( -5.110 0.878 -10.570) 11.774 25.939 ( 2.663 -9.947 -0.700) 10.321 26.028 ( -1.024 -12.677 -0.693) 12.737 26.754 ( 0.281 5.798 7.321) 9.343 26.881 ( 0.274 4.153 -3.897) 5.702 27.201 ( -0.393 7.515 5.777) 9.487 27.336 ( 0.172 8.986 -8.469) 12.349 27.695 ( 7.009 13.774 -6.634) 16.819 27.875 ( 2.439 14.421 5.186) 15.518 28.147 ( 2.930 5.210 1.797) 6.242 28.207 ( 1.451 6.169 0.393) 6.350 28.265 ( 4.862 -2.534 6.000) 8.128 28.451 ( -4.907 -0.913 -4.505) 6.724 29.206 ( -3.520 -11.158 2.709) 12.010 29.483 ( -12.237 -9.482 -5.235) 16.342 30.618 ( -2.592 -2.200 2.145) 4.020 30.746 ( -3.976 -4.070 0.803) 5.746 ======================= Grid point 175 (88/108) ======================= q-point: ( 0.00 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.678 ( 5.492 20.017 4.319) 21.201 2.741 ( -3.000 17.270 -3.066) 17.795 3.067 ( 13.296 20.493 19.467) 31.236 3.353 ( -5.046 10.831 -5.289) 13.067 3.735 ( -5.332 -1.520 1.905) 5.862 3.784 ( 5.815 0.842 -3.137) 6.661 3.916 ( 1.184 -5.829 8.703) 10.541 3.996 ( -7.410 1.238 0.952) 7.573 4.122 ( 6.723 0.468 1.465) 6.897 4.261 ( -1.230 -1.754 -7.998) 8.279 4.310 ( -1.809 0.490 -0.403) 1.917 4.404 ( -0.600 -0.464 -2.243) 2.368 4.508 ( -1.207 -3.732 1.118) 4.079 4.645 ( -0.059 0.692 -9.994) 10.018 4.869 ( -3.006 -0.121 15.075) 15.373 5.106 ( -2.345 -1.204 0.444) 2.673 5.127 ( -1.020 2.593 0.293) 2.802 5.189 ( 4.038 6.132 -0.226) 7.346 5.229 ( 2.362 4.344 -5.640) 7.500 5.351 ( -8.529 12.785 -12.023) 19.513 5.713 ( 0.885 -1.856 6.453) 6.772 5.758 ( -1.717 -0.395 1.253) 2.162 5.823 ( -0.555 4.738 -0.587) 4.806 5.944 ( 3.720 1.273 -5.123) 6.458 6.075 ( 2.291 6.815 7.011) 10.042 6.271 ( -4.152 -1.339 -5.849) 7.297 6.293 ( -1.366 1.991 7.919) 8.279 6.461 ( 1.416 9.728 6.013) 11.524 6.561 ( -4.491 -2.899 -2.325) 5.829 6.796 ( 8.757 9.828 -13.443) 18.815 6.931 ( 8.943 -6.254 -1.628) 11.033 6.952 ( -6.724 -5.300 -3.673) 9.316 7.311 ( -6.495 -0.583 7.154) 9.680 7.371 ( 1.426 -0.750 0.883) 1.837 7.716 ( 5.790 4.459 2.522) 7.731 7.743 ( -4.072 -0.065 0.289) 4.082 8.200 ( 3.606 -0.251 0.904) 3.726 8.267 ( -5.213 -0.501 -4.761) 7.078 8.580 ( -1.753 3.220 1.308) 3.892 8.600 ( 2.327 1.772 0.310) 2.941 8.842 ( 5.191 2.806 2.683) 6.482 8.913 ( -0.895 4.548 -2.795) 5.413 9.142 ( -0.095 12.120 7.980) 14.511 9.259 ( -2.967 3.075 6.055) 7.411 9.348 ( -3.582 5.826 -4.677) 8.285 9.582 ( 2.596 -6.173 -14.893) 16.329 10.089 ( 3.560 2.387 1.231) 4.460 10.151 ( -1.715 4.625 -4.103) 6.416 10.782 ( -1.591 5.278 9.484) 10.970 10.968 ( 0.815 6.413 -8.657) 10.805 11.543 ( -0.287 -4.460 10.517) 11.427 11.710 ( 0.840 -0.127 -4.530) 4.609 12.489 ( 0.428 -0.882 -1.419) 1.725 12.524 ( 0.997 5.962 -3.762) 7.120 12.707 ( -1.284 -14.194 4.982) 15.097 12.878 ( -0.167 -5.658 -10.068) 11.550 13.278 ( -2.992 -5.069 4.737) 7.555 13.366 ( 2.475 -6.597 -5.394) 8.874 13.998 ( 0.068 -10.466 8.357) 13.393 14.090 ( 0.182 -8.511 -0.135) 8.514 14.577 ( -0.714 -19.511 13.906) 23.970 14.788 ( 0.997 -15.466 -4.340) 16.094 15.420 ( 1.301 -8.836 5.718) 10.605 15.589 ( -2.058 -5.390 -10.265) 11.776 15.909 ( -1.026 1.777 6.553) 6.867 16.117 ( 2.535 1.945 -12.276) 12.685 16.698 ( 0.051 -1.441 2.598) 2.971 16.762 ( -0.150 -1.642 -3.382) 3.763 17.098 ( -1.754 -1.357 8.055) 8.355 17.222 ( 1.317 -1.623 -3.645) 4.201 20.607 ( -0.770 16.896 6.359) 18.070 20.805 ( 0.888 12.999 -12.989) 18.398 21.750 ( -2.663 0.543 12.355) 12.651 21.977 ( 4.250 -6.310 -8.555) 11.448 22.276 ( -1.888 -7.374 13.866) 15.818 22.588 ( 0.605 -7.276 -16.796) 18.314 23.843 ( -0.455 10.125 9.267) 13.733 24.062 ( 0.426 10.824 -12.221) 16.331 24.258 ( 0.853 2.180 17.559) 17.714 24.564 ( -2.571 1.723 -11.300) 11.716 25.806 ( -0.099 -6.211 0.380) 6.224 25.821 ( 0.131 -5.575 -0.772) 5.630 26.864 ( 0.369 4.366 5.734) 7.216 26.956 ( -0.095 3.046 -3.012) 4.285 27.314 ( -2.241 7.388 10.463) 13.003 27.527 ( 1.376 6.941 -10.144) 12.368 28.030 ( -8.579 9.021 2.698) 12.738 28.101 ( 6.680 8.156 -3.722) 11.180 28.228 ( -0.551 -1.379 4.770) 4.996 28.296 ( 1.192 2.750 0.432) 3.028 28.363 ( -3.414 4.628 -1.378) 5.914 28.372 ( 6.897 4.293 -3.695) 8.925 29.010 ( -4.880 -6.490 8.792) 11.968 29.187 ( 3.225 -10.567 -8.367) 13.859 30.598 ( 2.496 -1.985 0.637) 3.252 30.612 ( -1.577 -2.657 -0.510) 3.131 ======================= Grid point 176 (89/108) ======================= q-point: ( 0.14 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.782 ( 7.102 14.654 -5.736) 17.264 2.892 ( 14.372 13.966 2.163) 20.156 3.112 ( -7.579 16.751 4.951) 19.041 3.295 ( -0.412 19.778 -4.456) 20.278 3.618 ( -6.333 -4.128 -0.796) 7.601 3.854 ( 0.370 0.981 0.742) 1.284 3.944 ( 4.065 2.400 0.108) 4.721 4.046 ( 5.930 -10.257 5.254) 12.961 4.204 ( 0.419 1.155 -1.418) 1.876 4.322 ( 7.043 1.417 -2.688) 7.671 4.369 ( 8.249 -1.303 -0.710) 8.381 4.492 ( 9.601 -2.450 0.368) 9.915 4.546 ( 4.641 -3.055 -0.675) 5.597 4.685 ( 3.359 -1.890 -4.902) 6.236 4.845 ( -0.695 -0.223 15.008) 15.026 5.061 ( -1.840 0.816 1.909) 2.774 5.069 ( -0.831 -5.427 2.169) 5.903 5.238 ( 0.736 6.126 -6.955) 9.297 5.272 ( 0.105 12.827 -2.057) 12.991 5.381 ( 11.606 6.857 3.591) 13.950 5.705 ( -5.133 3.659 0.369) 6.314 5.776 ( 5.686 0.351 0.666) 5.735 5.819 ( -1.481 -1.210 0.782) 2.066 6.020 ( 6.370 2.868 6.158) 9.312 6.118 ( 2.061 4.802 -7.474) 9.119 6.190 ( -2.258 2.248 9.655) 10.168 6.377 ( 5.700 3.966 1.354) 7.075 6.450 ( 4.093 3.899 4.996) 7.544 6.645 ( 6.092 -1.978 -10.145) 11.998 6.704 ( -12.518 -3.682 -2.776) 13.340 6.954 ( 4.279 9.919 -3.272) 11.287 7.094 ( 8.207 0.358 -8.021) 11.481 7.288 ( 1.623 1.461 6.816) 7.157 7.430 ( 3.601 1.687 4.116) 5.723 7.486 ( -11.562 -0.416 -4.055) 12.259 7.823 ( -2.014 -0.210 3.305) 3.876 8.067 ( -11.810 -0.794 -4.136) 12.539 8.253 ( -3.579 1.576 3.696) 5.380 8.336 ( -11.546 0.858 -1.573) 11.684 8.590 ( -11.205 -1.477 1.295) 11.376 8.737 ( -8.973 4.913 -6.142) 11.932 8.782 ( -11.155 6.240 -0.082) 12.782 9.097 ( -4.318 9.036 8.086) 12.872 9.219 ( -5.418 11.757 -0.707) 12.965 9.319 ( 2.128 -3.527 9.454) 10.312 9.629 ( 0.465 -2.564 -19.448) 19.622 10.140 ( 1.630 5.704 -4.205) 7.271 10.240 ( 9.074 2.461 -0.851) 9.440 10.771 ( 0.771 4.678 9.499) 10.617 11.001 ( 2.052 6.904 -8.152) 10.878 11.561 ( 1.988 -5.335 9.887) 11.409 11.742 ( 2.011 0.307 -4.245) 4.708 12.501 ( 2.225 2.902 -1.866) 4.105 12.605 ( 4.934 3.017 -5.575) 8.032 12.723 ( 2.664 -9.035 7.071) 11.778 12.913 ( 3.633 -10.106 -9.047) 14.042 13.210 ( -3.042 -6.819 5.233) 9.118 13.432 ( 3.245 -6.477 -4.555) 8.557 13.993 ( -0.538 -8.455 7.682) 11.437 14.092 ( -0.174 -11.098 -0.320) 11.104 14.571 ( 0.179 -16.644 14.040) 21.775 14.803 ( 0.371 -15.756 -5.105) 16.567 15.448 ( 1.425 -7.569 7.007) 10.413 15.541 ( -2.532 -5.253 -10.162) 11.716 15.774 ( -11.060 2.570 4.767) 12.314 16.131 ( -1.370 1.674 -12.596) 12.781 16.692 ( -0.550 -2.003 2.567) 3.302 16.754 ( -0.741 -2.490 -3.344) 4.235 17.018 ( -5.126 0.255 7.860) 9.387 17.204 ( -3.200 -2.593 -2.905) 5.040 20.602 ( 0.193 15.753 5.568) 16.709 20.821 ( 0.597 13.192 -12.378) 18.100 21.646 ( -6.637 0.828 10.673) 12.596 21.975 ( -4.185 -1.332 -10.508) 11.389 22.257 ( 0.105 -9.719 15.298) 18.125 22.612 ( 1.567 -7.357 -15.901) 17.590 23.842 ( 0.616 9.212 10.150) 13.721 24.089 ( 1.901 11.104 -11.867) 16.363 24.312 ( 3.794 0.962 19.602) 19.988 24.556 ( 1.613 1.760 -10.527) 10.794 25.793 ( -0.501 -5.015 0.054) 5.040 25.830 ( 0.137 -6.118 -0.420) 6.134 26.867 ( 0.014 4.544 5.444) 7.092 26.951 ( -0.401 2.806 -3.023) 4.144 27.269 ( -1.837 7.577 10.130) 12.783 27.547 ( 0.205 5.617 -7.682) 9.519 27.850 ( -6.634 12.171 3.128) 14.210 28.175 ( -4.514 4.193 -0.253) 6.166 28.204 ( -0.456 4.436 -0.148) 4.462 28.250 ( -0.692 0.576 -3.191) 3.316 28.400 ( 3.484 4.744 0.754) 5.934 28.505 ( 5.043 5.308 -5.313) 9.047 28.915 ( -0.850 -4.167 9.229) 10.162 29.319 ( 7.282 -15.419 -6.878) 18.387 30.596 ( 0.429 -2.778 -0.620) 2.879 30.674 ( 3.799 -4.287 -0.853) 5.791 ======================= Grid point 177 (90/108) ======================= q-point: ( 0.29 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.957 ( -2.975 14.548 -1.235) 14.900 3.008 ( 11.695 9.711 -3.623) 15.627 3.187 ( 6.996 15.700 -4.757) 17.835 3.308 ( 7.276 10.251 -3.498) 13.048 3.523 ( -2.288 -5.192 0.170) 5.676 3.844 ( -0.078 1.520 1.495) 2.133 3.978 ( -8.317 -6.256 1.575) 10.526 4.059 ( 4.990 2.194 -0.001) 5.452 4.173 ( -3.017 -3.377 -1.897) 4.910 4.457 ( 2.952 9.968 -5.815) 11.912 4.580 ( 1.264 -13.384 -4.598) 14.208 4.648 ( 8.693 -1.945 2.789) 9.334 4.699 ( 4.462 4.821 3.480) 7.434 4.811 ( 4.867 0.073 -0.457) 4.889 4.834 ( 11.163 -4.102 8.774) 14.779 5.047 ( 1.380 0.291 6.381) 6.535 5.114 ( 2.904 -7.968 4.012) 9.382 5.244 ( -1.778 9.361 -3.217) 10.057 5.374 ( 10.108 4.261 -3.598) 11.545 5.542 ( -6.352 0.198 -1.699) 6.579 5.612 ( 5.630 2.414 2.247) 6.525 5.829 ( 7.878 2.880 6.353) 10.522 5.910 ( 1.747 -4.512 -0.237) 4.844 6.104 ( 1.053 -4.650 -2.788) 5.523 6.175 ( 2.160 6.847 8.947) 11.471 6.277 ( 10.654 5.551 8.730) 14.850 6.420 ( 1.424 2.751 0.150) 3.101 6.558 ( 7.468 5.498 0.887) 9.316 6.676 ( 8.734 2.120 -2.596) 9.355 6.774 ( 5.415 -1.189 -3.937) 6.799 6.949 ( -1.814 14.877 6.930) 16.512 7.215 ( -1.054 -3.207 -3.105) 4.587 7.288 ( 6.480 8.559 -7.919) 13.340 7.457 ( -1.543 0.024 1.263) 1.994 7.501 ( 6.145 0.930 -4.363) 7.594 7.654 ( -11.051 2.890 2.678) 11.732 7.785 ( -13.362 0.110 -2.887) 13.671 8.058 ( -10.386 2.438 -1.181) 10.734 8.162 ( -9.936 -0.467 -0.317) 9.952 8.336 ( -11.116 -2.264 3.005) 11.736 8.487 ( -16.150 3.593 -4.791) 17.225 8.534 ( -12.705 10.932 -0.223) 16.762 8.977 ( -8.373 2.817 15.078) 17.476 9.040 ( -8.724 9.838 -7.416) 15.096 9.347 ( -0.403 1.850 8.062) 8.281 9.602 ( -2.007 -1.307 -21.860) 21.991 10.201 ( 4.355 7.324 -2.717) 8.943 10.398 ( 4.951 3.556 -1.881) 6.379 10.804 ( 1.903 5.052 8.862) 10.377 11.034 ( 0.878 6.225 -9.133) 11.088 11.617 ( 3.091 -5.187 9.902) 11.598 11.783 ( 1.847 0.426 -3.352) 3.851 12.575 ( 4.486 1.632 0.726) 4.829 12.706 ( 5.151 2.691 -6.690) 8.862 12.795 ( 3.546 -5.516 4.979) 8.233 12.989 ( 2.136 -10.969 -7.732) 13.589 13.194 ( 2.809 -7.656 7.485) 11.070 13.481 ( 1.382 -6.085 -4.141) 7.489 13.978 ( -0.791 -6.500 5.697) 8.679 14.077 ( -1.440 -12.434 0.447) 12.525 14.586 ( 1.219 -15.602 13.244) 20.502 14.798 ( -0.816 -16.506 -4.693) 17.180 15.457 ( -2.685 -4.518 -2.200) 5.697 15.471 ( -6.394 3.270 -5.517) 9.056 15.568 ( -3.144 -3.257 10.535) 11.467 16.072 ( -3.885 0.870 -14.003) 14.558 16.677 ( -0.908 -3.631 2.425) 4.460 16.731 ( -1.418 -4.525 -3.158) 5.697 16.928 ( -3.150 1.704 7.058) 7.914 17.111 ( -5.153 -2.934 -2.689) 6.511 20.609 ( 0.412 14.456 4.845) 15.252 20.822 ( -0.615 12.248 -11.361) 16.717 21.525 ( -4.343 3.252 8.757) 10.301 21.851 ( -6.950 3.682 -10.208) 12.887 22.271 ( 1.086 -11.032 15.482) 19.041 22.639 ( 0.890 -8.185 -16.040) 18.030 23.868 ( 1.689 8.584 11.951) 14.811 24.128 ( 1.811 10.425 -11.754) 15.815 24.381 ( 2.512 -0.104 19.965) 20.123 24.614 ( 3.671 1.280 -10.041) 10.767 25.790 ( 0.060 -4.955 0.454) 4.976 25.826 ( -0.383 -5.742 -0.709) 5.798 26.866 ( -0.180 4.502 5.082) 6.792 26.940 ( -0.621 2.387 -2.542) 3.542 27.248 ( -0.176 7.176 9.839) 12.180 27.529 ( -1.659 4.191 -5.698) 7.266 27.781 ( -0.598 14.839 2.651) 15.086 28.072 ( -4.423 6.588 -2.917) 8.454 28.158 ( -2.952 0.362 -2.441) 3.847 28.201 ( -4.812 3.720 -1.574) 6.282 28.462 ( 2.581 8.025 3.343) 9.068 28.570 ( 1.994 6.982 -4.846) 8.730 29.006 ( 7.881 -7.976 9.802) 14.893 29.443 ( 4.571 -18.962 -9.238) 21.582 30.619 ( 1.538 -3.855 0.500) 4.180 30.728 ( 1.222 -5.795 -2.455) 6.411 ======================= Grid point 178 (91/108) ======================= q-point: ( 0.43 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.907 ( -1.791 11.677 6.694) 13.578 3.109 ( -3.768 15.484 -10.441) 19.052 3.345 ( 11.700 -1.635 -3.373) 12.286 3.485 ( 2.764 0.688 -5.082) 5.826 3.541 ( 4.147 -0.259 2.123) 4.666 3.755 ( -8.586 3.459 -4.793) 10.424 3.905 ( 4.460 -3.207 4.211) 6.922 4.093 ( -4.606 -8.434 -3.140) 10.110 4.180 ( 6.382 3.376 2.256) 7.564 4.381 ( -9.899 4.472 0.234) 10.864 4.588 ( 2.986 6.951 -1.841) 7.786 4.635 ( -4.900 2.343 6.193) 8.238 4.792 ( 4.534 3.739 10.125) 11.706 4.903 ( 3.863 5.732 0.240) 6.916 5.055 ( -4.047 -3.675 1.245) 5.607 5.084 ( 5.736 -2.802 3.175) 7.130 5.186 ( 0.668 1.448 -11.111) 11.225 5.264 ( 6.727 1.318 -1.289) 6.975 5.396 ( 4.203 -6.742 -1.459) 8.077 5.606 ( -1.976 -6.645 2.843) 7.493 5.720 ( 7.653 -2.595 -5.365) 9.700 5.787 ( -8.059 -7.309 -0.525) 10.893 6.030 ( 9.580 0.364 4.105) 10.429 6.122 ( 1.441 -1.271 1.604) 2.503 6.258 ( 2.383 5.700 9.866) 11.641 6.416 ( 0.864 0.806 2.132) 2.437 6.566 ( 11.734 2.070 -0.750) 11.939 6.684 ( 6.837 1.438 6.779) 9.735 6.813 ( 2.434 -3.683 -4.702) 6.449 6.911 ( 2.225 9.771 -3.561) 10.635 7.124 ( 9.688 6.267 10.308) 15.472 7.135 ( -3.249 4.192 -0.324) 5.314 7.229 ( -9.564 4.302 -5.797) 11.982 7.344 ( 5.210 3.948 3.559) 7.443 7.541 ( -4.430 6.081 -1.162) 7.613 7.621 ( 1.430 7.659 -1.509) 7.936 7.719 ( 3.614 0.031 3.702) 5.173 7.864 ( -7.241 0.892 2.134) 7.602 7.982 ( -5.832 4.383 -7.977) 10.810 8.084 ( -21.162 13.099 -2.444) 25.007 8.188 ( -3.384 -1.159 -0.011) 3.577 8.290 ( -7.431 8.318 -2.441) 11.418 8.779 ( -8.702 0.492 17.204) 19.286 8.971 ( 2.127 4.787 -13.656) 14.626 9.324 ( -1.507 3.954 5.623) 7.037 9.575 ( -0.293 0.237 -20.832) 20.835 10.297 ( 4.133 7.200 1.408) 8.421 10.426 ( -1.574 5.223 -3.251) 6.351 10.832 ( 0.790 6.124 8.539) 10.538 11.037 ( -0.360 5.554 -10.022) 11.464 11.663 ( 1.029 -4.140 10.472) 11.307 11.810 ( 0.642 0.135 -2.416) 2.504 12.660 ( 3.254 -0.243 2.852) 4.334 12.779 ( 0.572 4.111 -4.973) 6.477 12.866 ( 4.001 -7.268 0.315) 8.302 12.981 ( -1.878 -9.888 -5.046) 11.259 13.303 ( 5.331 -5.780 7.778) 11.060 13.491 ( -0.016 -5.788 -6.070) 8.387 13.968 ( -0.192 -7.355 5.956) 9.466 14.037 ( -1.898 -10.218 -0.160) 10.394 14.610 ( 0.811 -17.957 11.987) 21.605 14.775 ( -1.251 -17.432 -3.156) 17.760 15.291 ( -5.918 4.357 3.481) 8.132 15.436 ( -0.754 2.606 -12.806) 13.090 15.601 ( 3.209 -5.435 14.103) 15.451 15.990 ( -3.816 -0.728 -15.258) 15.745 16.657 ( -1.008 -5.676 2.577) 6.314 16.710 ( -0.192 -6.145 -3.206) 6.934 16.898 ( 0.094 2.108 6.025) 6.384 17.023 ( -3.060 -2.194 -2.810) 4.698 20.619 ( 0.665 14.027 4.844) 14.855 20.800 ( -1.297 10.854 -10.631) 15.248 21.487 ( 0.504 5.547 7.803) 9.587 21.724 ( -4.978 5.316 -9.500) 11.970 22.298 ( 1.409 -10.830 15.338) 18.829 22.645 ( -0.323 -9.127 -16.674) 19.012 23.897 ( 0.900 8.773 12.740) 15.495 24.155 ( 0.763 9.837 -11.935) 15.486 24.407 ( -0.001 -0.229 19.483) 19.484 24.687 ( 3.229 0.649 -10.567) 11.069 25.784 ( -0.709 -5.223 2.418) 5.799 25.826 ( 0.478 -5.426 -2.348) 5.932 26.860 ( -0.404 4.186 5.193) 6.682 26.931 ( -0.201 2.240 -2.262) 3.189 27.264 ( 1.745 6.427 9.826) 11.870 27.493 ( -1.665 4.978 -7.183) 8.897 27.802 ( 2.371 14.147 4.408) 15.007 27.999 ( -3.426 9.511 -5.526) 11.521 28.081 ( -4.061 2.490 1.393) 4.963 28.129 ( -1.091 1.925 -3.241) 3.924 28.501 ( 1.236 10.768 3.983) 11.548 28.596 ( 0.527 6.462 -4.703) 8.010 29.154 ( 5.190 -12.352 13.230) 18.829 29.496 ( 0.788 -20.128 -14.239) 24.668 30.647 ( 1.083 -4.695 2.020) 5.225 30.727 ( -0.945 -5.479 -3.101) 6.366 ======================= Grid point 179 (92/108) ======================= q-point: (-0.43 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.809 ( -7.943 10.848 11.297) 17.562 3.078 ( 1.681 13.009 -4.507) 13.870 3.253 ( -14.260 6.391 4.227) 16.188 3.484 ( -5.753 -0.356 -2.778) 6.399 3.679 ( -1.404 2.311 -8.770) 9.177 3.745 ( 14.334 0.477 -5.489) 15.357 3.978 ( -3.451 -6.804 -1.954) 7.875 4.005 ( 1.344 -2.306 2.286) 3.514 4.208 ( -5.421 1.621 1.798) 5.937 4.326 ( 6.998 -1.878 4.875) 8.733 4.485 ( -6.875 9.448 6.043) 13.155 4.663 ( 1.595 0.093 4.151) 4.448 4.867 ( 0.563 7.076 -0.558) 7.120 4.955 ( 2.618 6.186 5.936) 8.964 4.994 ( -1.234 -8.412 2.877) 8.976 5.088 ( -8.874 4.435 -4.776) 11.011 5.185 ( 3.425 -5.736 -5.888) 8.905 5.324 ( 4.144 5.986 -6.091) 9.492 5.381 ( -9.097 -4.070 -0.444) 9.976 5.669 ( 2.301 -6.229 -3.359) 7.441 5.688 ( 0.964 -7.240 -1.315) 7.421 5.799 ( 1.548 -8.564 -2.045) 8.940 6.000 ( -6.339 0.795 4.139) 7.612 6.211 ( -1.018 2.707 -3.084) 4.228 6.329 ( 1.913 4.077 5.601) 7.187 6.423 ( 4.101 -2.326 -0.088) 4.715 6.600 ( -17.826 7.897 -3.958) 19.895 6.692 ( -3.665 -4.923 2.891) 6.785 6.772 ( -1.053 5.134 4.896) 7.172 6.891 ( -3.566 -2.247 -6.012) 7.342 7.052 ( 4.955 3.348 5.419) 8.070 7.151 ( 1.752 2.434 -0.613) 3.061 7.338 ( -6.323 3.811 3.130) 8.019 7.413 ( 7.776 5.745 4.815) 10.802 7.485 ( -11.509 7.290 -5.591) 14.726 7.523 ( -10.882 14.603 3.704) 18.585 7.711 ( 0.354 6.027 2.348) 6.478 7.823 ( 3.902 8.287 2.025) 9.381 7.896 ( 10.188 0.670 1.423) 10.309 7.994 ( 12.885 4.776 3.575) 14.199 8.249 ( 10.012 -2.726 -4.168) 11.182 8.367 ( 7.353 8.076 -5.461) 12.211 8.717 ( 5.405 4.766 10.771) 12.959 9.100 ( 8.951 1.148 -11.627) 14.718 9.283 ( -2.185 5.981 2.379) 6.797 9.595 ( 1.764 -1.362 -18.750) 18.882 10.284 ( -5.829 6.300 3.326) 9.205 10.411 ( 0.606 6.420 -2.588) 6.949 10.842 ( 0.302 5.947 8.921) 10.726 11.024 ( -0.844 5.591 -10.012) 11.499 11.658 ( -1.323 -2.753 10.965) 11.382 11.803 ( -1.322 -0.797 -2.048) 2.565 12.672 ( -2.762 1.150 2.905) 4.170 12.743 ( -3.721 -0.375 -1.768) 4.137 12.901 ( 0.312 -5.411 -5.043) 7.404 12.968 ( -0.245 -11.346 -3.037) 11.748 13.334 ( -1.807 -3.425 5.864) 7.027 13.493 ( -0.422 -4.307 -6.584) 7.879 13.960 ( -0.330 -11.337 5.053) 12.417 14.035 ( 1.658 -6.084 1.550) 6.494 14.614 ( -0.306 -21.093 11.184) 23.877 14.760 ( -0.061 -17.530 -1.483) 17.593 15.252 ( 1.676 4.366 4.366) 6.398 15.450 ( 2.604 2.116 -11.898) 12.362 15.663 ( 2.535 -1.629 13.822) 14.147 15.934 ( -1.165 -2.303 -15.367) 15.582 16.647 ( 0.217 -5.714 2.415) 6.207 16.726 ( 1.382 -5.798 -3.656) 6.992 16.926 ( 2.479 0.832 5.872) 6.428 16.998 ( 0.897 -1.241 -2.897) 3.277 20.636 ( 0.849 14.762 5.316) 15.713 20.779 ( -0.555 10.199 -10.666) 14.768 21.536 ( 4.029 5.830 7.602) 10.393 21.665 ( -0.581 4.729 -8.335) 9.601 22.323 ( 0.974 -10.167 14.844) 18.019 22.629 ( -1.042 -9.770 -17.207) 19.815 23.900 ( -0.631 9.460 12.800) 15.929 24.154 ( -0.874 9.459 -12.130) 15.407 24.386 ( -1.905 -0.065 17.720) 17.823 24.734 ( 1.106 0.320 -11.084) 11.144 25.769 ( -0.580 -4.733 2.484) 5.377 25.838 ( 0.551 -6.110 -2.231) 6.528 26.851 ( -0.384 3.953 5.153) 6.506 26.934 ( 0.483 2.334 -1.769) 2.968 27.311 ( 2.485 6.001 9.698) 11.672 27.470 ( -0.394 6.531 -9.347) 11.409 27.849 ( 0.522 11.822 4.016) 12.497 27.954 ( 1.127 11.564 -5.354) 12.793 28.030 ( -0.578 -0.044 4.187) 4.227 28.147 ( 2.193 3.877 -2.616) 5.166 28.511 ( -0.308 12.452 3.503) 12.939 28.588 ( -1.322 4.473 -4.457) 6.451 29.174 ( -3.313 -15.055 12.436) 19.806 29.489 ( -1.427 -17.397 -14.667) 22.799 30.657 ( -0.499 -4.606 2.564) 5.295 30.703 ( -1.036 -5.190 -2.325) 5.781 ======================= Grid point 180 (93/108) ======================= q-point: (-0.29 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.677 ( -3.044 16.592 16.364) 23.502 2.923 ( -13.839 15.140 4.450) 20.989 3.143 ( -2.985 17.375 3.054) 17.892 3.321 ( -4.973 2.836 -0.926) 5.799 3.635 ( -1.299 0.277 -9.718) 9.808 3.875 ( -3.952 -1.277 -1.154) 4.310 4.000 ( 6.478 -3.466 -0.453) 7.361 4.074 ( 5.441 -0.376 -4.070) 6.805 4.129 ( -3.392 -2.942 3.320) 5.585 4.346 ( -5.236 3.476 4.186) 7.551 4.441 ( 2.046 -7.568 6.932) 10.465 4.615 ( -8.903 -0.928 2.144) 9.205 4.769 ( -6.362 -2.550 -1.678) 7.057 4.923 ( -7.367 -9.169 -4.558) 12.614 4.953 ( -0.350 1.317 -3.810) 4.046 5.060 ( 4.048 2.024 4.645) 6.485 5.144 ( -6.045 1.853 -1.123) 6.422 5.289 ( 0.085 2.513 -8.288) 8.661 5.367 ( -7.803 9.782 0.136) 12.514 5.586 ( 4.431 6.448 -6.802) 10.367 5.686 ( -3.061 -0.602 -2.662) 4.101 5.846 ( -1.986 -10.469 1.499) 10.761 5.977 ( -3.018 -2.573 7.606) 8.578 6.024 ( -8.922 4.196 -7.732) 12.530 6.222 ( -11.690 1.805 5.154) 12.903 6.354 ( -3.814 3.620 7.990) 9.566 6.436 ( -1.771 4.344 -5.297) 7.076 6.599 ( -6.810 3.904 1.986) 8.097 6.722 ( -3.584 -1.784 -8.643) 9.525 6.756 ( -6.661 4.056 -4.027) 8.777 7.031 ( -12.416 12.352 10.555) 20.449 7.071 ( -5.413 7.597 2.056) 9.551 7.190 ( 2.924 3.739 -5.078) 6.951 7.398 ( -0.619 -3.153 3.671) 4.879 7.483 ( 7.783 -1.129 1.608) 8.027 7.636 ( 7.896 4.472 5.337) 10.528 7.822 ( 12.869 5.759 -6.761) 15.637 7.982 ( 11.969 3.303 3.098) 12.797 8.125 ( 11.903 -0.351 1.767) 12.039 8.325 ( 11.068 -0.316 6.832) 13.011 8.477 ( 11.331 -1.528 -5.638) 12.748 8.567 ( 14.267 9.529 -0.819) 17.176 8.937 ( 11.961 10.105 4.542) 16.303 9.243 ( 2.146 1.690 8.826) 9.239 9.297 ( 6.132 7.154 -14.632) 17.403 9.612 ( -0.685 -5.823 -16.367) 17.385 10.149 ( -6.100 6.485 2.512) 9.251 10.380 ( -4.280 4.994 -0.868) 6.634 10.842 ( -0.509 5.662 8.978) 10.626 11.002 ( -1.305 5.418 -9.687) 11.176 11.618 ( -2.464 -2.215 11.073) 11.558 11.760 ( -2.643 -1.449 -2.770) 4.093 12.563 ( -6.172 0.005 2.470) 6.648 12.663 ( -3.991 0.952 -2.109) 4.613 12.898 ( -4.631 -11.913 -0.549) 12.793 12.920 ( -0.866 -6.906 -6.616) 9.603 13.291 ( -1.433 -2.210 -0.417) 2.667 13.454 ( -3.083 -3.969 -1.893) 5.370 13.969 ( 1.023 -11.205 4.225) 12.019 14.070 ( 1.268 -6.531 3.292) 7.423 14.606 ( -0.461 -22.242 11.550) 25.066 14.763 ( 0.142 -16.745 -1.498) 16.812 15.324 ( 4.143 -0.862 1.957) 4.663 15.548 ( 6.334 0.177 -7.840) 10.080 15.702 ( 2.145 1.538 9.000) 9.379 15.957 ( 3.340 -1.192 -11.521) 12.055 16.664 ( 1.246 -3.698 2.351) 4.556 16.751 ( 0.908 -3.690 -3.684) 5.293 16.990 ( 3.757 -1.131 4.414) 5.905 17.063 ( 4.965 -0.963 -1.382) 5.243 20.646 ( -0.114 16.095 5.868) 17.131 20.778 ( 0.338 10.650 -11.507) 15.683 21.637 ( 5.644 3.292 7.528) 9.969 21.706 ( 4.562 3.044 -5.880) 8.041 22.332 ( -0.181 -9.340 14.029) 16.855 22.607 ( -1.029 -9.636 -17.481) 19.988 23.877 ( -1.363 10.192 12.371) 16.086 24.122 ( -2.150 9.292 -12.319) 15.579 24.336 ( -2.914 0.509 15.645) 15.922 24.723 ( -2.310 0.401 -11.357) 11.596 25.767 ( 0.415 -4.605 1.494) 4.859 25.844 ( -0.036 -6.698 -1.478) 6.859 26.848 ( 0.089 4.015 5.149) 6.530 26.946 ( 0.596 2.517 -1.589) 3.036 27.348 ( 0.899 6.704 8.463) 10.834 27.480 ( 1.167 6.715 -9.384) 11.598 27.846 ( 1.191 10.944 -1.748) 11.146 28.024 ( 4.432 9.994 -0.008) 10.933 28.083 ( 5.507 -0.596 4.699) 7.264 28.194 ( 2.024 3.487 -0.382) 4.050 28.483 ( -2.878 12.392 2.628) 12.990 28.539 ( -3.550 1.589 -3.455) 5.203 29.065 ( -5.700 -12.488 5.869) 14.930 29.422 ( -5.396 -13.836 -8.918) 17.322 30.622 ( -2.460 -3.140 0.614) 4.036 30.689 ( -0.803 -5.408 0.559) 5.496 ======================= Grid point 181 (94/108) ======================= q-point: (-0.14 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.675 ( -3.032 21.328 4.898) 22.092 2.766 ( 4.205 20.764 18.509) 28.132 2.946 ( -9.458 16.469 1.797) 19.077 3.363 ( 3.589 7.775 4.859) 9.846 3.664 ( 4.321 0.867 -7.688) 8.862 3.819 ( -2.371 -2.926 2.258) 4.391 3.979 ( -4.475 1.154 -1.017) 4.732 4.059 ( -2.479 -3.630 3.830) 5.830 4.158 ( -4.522 -2.081 -1.485) 5.194 4.270 ( 1.506 -7.320 0.655) 7.502 4.387 ( -6.298 1.093 -0.967) 6.465 4.489 ( -3.788 1.987 -1.943) 4.698 4.597 ( -8.549 -8.631 -2.529) 12.408 4.724 ( -8.533 -3.571 -5.322) 10.672 4.971 ( -2.552 -5.185 3.393) 6.702 5.056 ( 0.351 13.924 5.027) 14.808 5.154 ( -5.106 8.213 2.101) 9.897 5.169 ( 2.776 1.822 -1.651) 3.709 5.264 ( -4.083 -0.132 -13.169) 13.788 5.539 ( -8.729 7.238 -8.379) 14.100 5.724 ( 2.122 6.629 1.865) 7.206 5.783 ( -5.205 -0.734 -2.658) 5.890 5.845 ( 2.646 2.267 -0.123) 3.486 5.966 ( -10.651 -2.746 5.769) 12.420 6.015 ( 1.826 5.713 1.678) 6.228 6.301 ( -0.830 1.872 9.151) 9.377 6.421 ( -8.190 0.396 -1.772) 8.389 6.486 ( -2.320 6.106 -0.260) 6.537 6.653 ( 2.787 3.958 -14.730) 15.505 6.704 ( -1.301 0.997 1.920) 2.524 6.797 ( -4.329 2.408 3.480) 6.054 7.006 ( -1.416 -1.184 2.207) 2.877 7.368 ( -0.137 -0.214 -0.440) 0.508 7.426 ( 10.382 3.750 1.454) 11.134 7.508 ( -2.930 -0.028 -2.362) 3.764 7.768 ( 5.107 -0.713 7.028) 8.717 8.090 ( 8.312 1.976 -6.270) 10.598 8.281 ( 14.954 2.759 0.963) 15.237 8.305 ( 5.675 -1.330 0.322) 5.838 8.558 ( 14.417 1.669 7.761) 16.458 8.666 ( 5.489 -0.115 -2.688) 6.113 8.816 ( 9.027 10.163 -2.217) 13.773 9.107 ( 4.423 12.111 4.091) 13.527 9.280 ( 1.218 0.084 11.333) 11.399 9.396 ( 1.597 7.839 -12.428) 14.780 9.574 ( -1.865 -7.962 -13.800) 16.041 10.069 ( -1.551 4.666 1.990) 5.304 10.250 ( -7.251 4.143 -1.841) 8.552 10.819 ( -1.702 5.381 8.859) 10.504 10.974 ( -1.197 5.532 -9.303) 10.889 11.569 ( -2.076 -2.999 11.104) 11.688 11.715 ( -1.361 -1.022 -3.972) 4.321 12.479 ( -1.527 -0.982 0.538) 1.894 12.578 ( -4.140 4.197 -2.602) 6.444 12.777 ( -5.436 -16.574 2.810) 17.668 12.901 ( -1.490 -2.987 -9.696) 10.254 13.288 ( 0.911 -3.200 -1.038) 3.486 13.385 ( -3.358 -5.782 -0.458) 6.702 13.989 ( 0.753 -11.320 6.376) 13.014 14.085 ( 0.385 -6.840 1.941) 7.120 14.594 ( -0.780 -21.716 12.948) 25.295 14.770 ( 0.633 -15.712 -3.089) 16.025 15.388 ( 2.136 -6.940 2.530) 7.689 15.616 ( -0.061 -4.727 -8.694) 9.896 15.818 ( 8.091 4.314 7.751) 12.006 16.044 ( 4.432 0.790 -10.542) 11.463 16.688 ( 0.938 -1.951 2.445) 3.266 16.762 ( 0.230 -2.052 -3.475) 4.042 17.072 ( 3.673 -1.814 5.608) 6.945 17.164 ( 4.246 -1.159 -2.101) 4.877 20.630 ( -1.257 16.996 6.352) 18.187 20.789 ( 0.692 11.868 -12.576) 17.305 21.739 ( 3.409 2.274 11.101) 11.833 21.839 ( 7.936 -3.004 -6.757) 10.848 22.315 ( -1.564 -8.259 13.315) 15.747 22.590 ( -0.602 -8.521 -17.477) 19.453 23.854 ( -0.804 10.582 10.976) 15.267 24.078 ( -1.826 9.636 -12.388) 15.800 24.278 ( -2.411 1.720 15.172) 15.458 24.646 ( -4.694 1.039 -11.516) 12.479 25.785 ( 1.302 -5.274 0.328) 5.442 25.836 ( -0.765 -6.553 -0.657) 6.630 26.854 ( 0.475 4.187 5.448) 6.887 26.955 ( 0.248 2.832 -2.191) 3.589 27.348 ( -0.914 7.097 9.436) 11.842 27.502 ( 1.011 7.186 -10.328) 12.622 27.928 ( 6.716 9.137 -3.167) 11.774 28.132 ( 4.574 10.836 2.023) 11.935 28.189 ( 2.474 -1.703 2.701) 4.039 28.229 ( 3.417 1.120 -0.607) 3.647 28.374 ( -6.912 6.566 2.411) 9.834 28.457 ( -4.397 3.521 -0.994) 5.720 29.008 ( 0.759 -8.416 2.768) 8.892 29.278 ( -8.157 -10.356 -5.337) 14.222 30.581 ( -0.973 -1.579 0.641) 1.962 30.658 ( -2.274 -4.309 0.608) 4.910 ======================= Grid point 182 (95/108) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.957 ( -0.183 10.038 5.978) 11.685 3.068 ( 0.788 10.947 -5.189) 12.140 3.344 ( 9.171 7.058 14.490) 18.544 3.497 ( -1.950 5.861 -0.335) 6.186 3.706 ( -4.812 -2.579 1.498) 5.661 3.772 ( 4.874 -3.556 -3.825) 7.144 3.872 ( -3.237 1.886 6.581) 7.573 3.978 ( -1.945 -0.428 -1.763) 2.659 4.089 ( 4.061 -4.336 2.201) 6.335 4.147 ( 5.019 -8.127 -3.816) 10.286 4.287 ( -3.137 -1.189 2.181) 4.001 4.403 ( -2.933 -0.847 4.946) 5.812 4.442 ( 0.421 2.499 -6.641) 7.108 4.648 ( 0.420 -1.308 -14.499) 14.564 4.859 ( -1.833 2.370 11.127) 11.524 5.071 ( -2.181 -2.698 -6.271) 7.166 5.224 ( -4.269 9.209 1.435) 10.251 5.315 ( 2.409 7.871 -4.897) 9.578 5.486 ( 4.729 2.684 2.944) 6.183 5.537 ( -4.763 4.945 -2.118) 7.185 5.691 ( -3.353 1.816 2.648) 4.643 5.750 ( 5.135 5.701 -1.890) 7.902 5.891 ( -1.683 0.634 2.754) 3.289 5.957 ( 2.337 -4.941 -1.169) 5.589 6.144 ( -1.568 3.114 0.299) 3.500 6.208 ( -3.936 -5.585 -6.443) 9.391 6.366 ( 1.938 5.628 5.322) 7.985 6.484 ( -1.995 -3.577 -5.811) 7.109 6.740 ( -3.153 4.699 11.144) 12.498 6.805 ( 4.347 0.876 4.059) 6.012 6.862 ( -0.333 5.277 1.751) 5.570 7.110 ( 7.126 13.663 -10.789) 18.811 7.276 ( -6.259 -1.267 8.792) 10.866 7.405 ( 0.392 4.910 -3.290) 5.923 7.653 ( 4.398 -7.699 5.616) 10.496 7.756 ( -1.877 -2.230 -2.733) 3.995 8.178 ( 0.219 -1.371 -1.370) 1.951 8.236 ( -5.076 -2.579 -5.272) 7.760 8.635 ( -1.922 2.041 1.502) 3.180 8.654 ( 1.397 3.288 -1.701) 3.957 8.868 ( 10.137 0.880 5.077) 11.372 8.986 ( -6.004 0.941 -6.220) 8.696 9.216 ( -0.139 -0.781 7.464) 7.506 9.341 ( 3.316 -2.607 0.942) 4.322 9.502 ( -0.821 5.948 -6.488) 8.840 9.551 ( -3.491 9.789 -6.557) 12.288 10.106 ( 2.256 -0.200 0.682) 2.365 10.180 ( -0.521 -1.641 -6.336) 6.566 10.958 ( -1.312 11.429 10.129) 15.328 11.168 ( 1.151 11.572 -10.163) 15.444 11.453 ( -0.177 -3.920 14.120) 14.655 11.713 ( 0.293 -1.661 -10.214) 10.352 12.344 ( 1.395 -9.917 6.225) 11.791 12.433 ( 0.572 -7.583 -1.687) 7.790 12.683 ( -0.463 5.933 5.716) 8.251 12.889 ( -0.033 3.597 -11.676) 12.217 13.183 ( -4.667 -5.718 0.185) 7.383 13.246 ( 1.816 -4.639 -4.534) 6.736 13.723 ( 0.706 -13.504 6.700) 15.091 13.835 ( -0.842 -14.730 -3.719) 15.215 14.354 ( 1.512 -2.573 16.437) 16.706 14.540 ( 1.035 -9.176 0.685) 9.260 15.272 ( 0.253 -4.174 0.672) 4.235 15.428 ( -1.505 -9.059 -12.239) 15.302 16.007 ( -0.900 6.917 8.453) 10.959 16.176 ( 1.733 1.856 -7.256) 7.687 16.645 ( 0.005 -3.115 1.467) 3.443 16.696 ( -0.173 -4.140 -2.923) 5.071 17.095 ( -0.755 1.341 5.712) 5.915 17.184 ( 0.680 -2.180 -2.837) 3.642 20.999 ( -1.471 20.163 3.835) 20.577 21.112 ( 1.387 15.598 -7.273) 17.266 21.706 ( -1.455 -4.868 5.884) 7.774 21.829 ( 1.128 -7.951 -4.144) 9.037 22.126 ( -0.002 -5.409 9.493) 10.926 22.383 ( 0.715 -12.132 -14.969) 19.282 24.035 ( -0.532 8.621 11.695) 14.539 24.232 ( 1.454 1.876 3.394) 4.141 24.315 ( -0.450 6.773 1.062) 6.871 24.562 ( -1.948 -2.299 -11.394) 11.785 25.730 ( 0.098 -1.754 0.648) 1.873 25.746 ( 0.087 -2.273 -0.665) 2.370 26.934 ( 0.291 2.743 4.308) 5.115 26.992 ( 0.033 0.377 -0.956) 1.028 27.470 ( -1.455 7.651 7.746) 10.985 27.619 ( 0.163 1.898 -6.151) 6.439 28.124 ( -4.805 1.042 0.944) 5.007 28.151 ( 3.003 -1.225 -0.890) 3.363 28.281 ( 1.478 4.913 1.041) 5.235 28.330 ( 2.453 2.075 -2.807) 4.266 28.489 ( -3.419 6.979 0.499) 7.787 28.508 ( 4.357 7.041 -1.787) 8.470 28.884 ( -0.361 -5.661 4.819) 7.443 28.978 ( -1.535 -9.824 -4.307) 10.836 30.561 ( 0.080 -1.418 0.172) 1.431 30.569 ( 0.326 -1.633 -0.561) 1.757 ======================= Grid point 183 (96/108) ======================= q-point: ( 0.14 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.030 ( 6.849 10.681 1.464) 12.773 3.120 ( 3.862 8.733 -1.435) 9.656 3.387 ( -2.674 9.388 0.845) 9.798 3.520 ( -5.116 -5.467 1.050) 7.561 3.590 ( 2.690 7.161 -1.210) 7.745 3.829 ( -0.973 -1.494 1.270) 2.189 3.900 ( 1.658 -2.089 4.383) 5.130 3.990 ( 6.010 0.590 -0.731) 6.083 4.157 ( 4.749 -8.143 -7.771) 12.217 4.235 ( 0.721 -7.559 -3.523) 8.371 4.374 ( 10.524 0.339 8.432) 13.489 4.390 ( 2.317 -1.627 5.507) 6.192 4.525 ( 6.365 2.469 -7.348) 10.030 4.677 ( 2.935 -0.699 -12.389) 12.751 4.879 ( 3.878 4.586 12.825) 14.162 5.062 ( -1.182 3.392 -3.778) 5.214 5.141 ( -1.749 9.031 6.840) 11.464 5.298 ( -1.582 0.571 0.168) 1.690 5.455 ( -1.813 4.601 -7.407) 8.907 5.549 ( 2.660 3.012 0.616) 4.065 5.700 ( -0.640 -5.142 2.108) 5.594 5.815 ( -4.087 2.688 1.592) 5.144 5.867 ( 3.487 3.984 2.525) 5.865 5.956 ( -2.101 -7.117 -3.963) 8.413 6.138 ( 2.372 -2.660 -0.293) 3.576 6.215 ( 4.352 0.177 4.797) 6.479 6.421 ( 5.305 3.750 2.037) 6.808 6.609 ( 10.951 3.255 -1.508) 11.524 6.674 ( -0.456 10.743 8.986) 14.013 6.765 ( -4.085 7.006 -6.831) 10.603 6.985 ( 8.229 0.313 2.058) 8.489 7.208 ( 2.902 -4.471 7.002) 8.800 7.286 ( 4.192 8.219 -0.184) 9.228 7.455 ( -0.318 4.996 -6.155) 7.934 7.542 ( -4.960 1.735 -0.803) 5.316 7.764 ( -0.931 -5.460 2.465) 6.063 8.044 ( -10.898 -1.226 -1.942) 11.137 8.190 ( -3.017 -6.919 4.980) 9.043 8.395 ( -14.035 4.128 -2.485) 14.839 8.547 ( -13.036 -2.676 -1.398) 13.381 8.810 ( -10.865 4.325 -7.354) 13.815 8.985 ( -0.528 9.788 0.669) 9.825 9.094 ( -9.327 -4.957 5.867) 12.083 9.363 ( -2.616 2.940 1.690) 4.282 9.471 ( -2.982 10.174 0.717) 10.626 9.567 ( 3.525 -0.423 -13.470) 13.930 10.200 ( 4.433 0.372 -3.575) 5.707 10.238 ( 7.565 -1.998 -3.114) 8.422 10.948 ( 0.648 12.009 9.974) 15.624 11.205 ( 2.051 10.636 -9.577) 14.459 11.472 ( 2.002 -2.790 12.929) 13.377 11.733 ( 1.556 -2.443 -9.305) 9.745 12.423 ( 6.052 -9.415 4.821) 12.187 12.495 ( 5.006 -4.778 -1.818) 7.155 12.669 ( -0.534 0.467 3.117) 3.196 12.902 ( 0.321 1.582 -7.825) 7.989 13.114 ( -0.813 -0.901 1.048) 1.604 13.301 ( 2.929 -6.356 -1.760) 7.216 13.742 ( 0.953 -13.733 6.419) 15.189 13.831 ( 0.524 -12.470 -3.712) 13.021 14.378 ( 0.739 -2.663 14.684) 14.942 14.549 ( -0.230 -9.164 -2.162) 9.418 15.286 ( 1.063 -5.410 2.581) 6.087 15.399 ( -1.361 -8.110 -11.749) 14.341 15.916 ( -7.437 9.348 7.864) 14.302 16.170 ( -2.235 0.340 -7.726) 8.050 16.625 ( -1.971 -3.758 1.630) 4.546 16.676 ( -1.823 -4.203 -2.866) 5.404 17.042 ( -3.740 2.303 4.771) 6.485 17.153 ( -3.485 -2.557 -2.216) 4.858 20.970 ( -1.372 18.833 3.160) 19.145 21.125 ( -0.272 14.729 -6.244) 16.000 21.638 ( -3.948 -1.337 4.746) 6.316 21.855 ( 0.697 -9.039 -2.784) 9.484 22.112 ( -1.387 -3.841 7.843) 8.843 22.398 ( 0.752 -12.803 -14.851) 19.622 24.031 ( 0.226 9.090 11.916) 14.989 24.271 ( 1.988 1.878 -0.088) 2.736 24.326 ( 1.477 4.885 6.310) 8.115 24.555 ( 1.209 -2.112 -10.251) 10.536 25.728 ( -0.169 -1.603 0.403) 1.661 25.748 ( -0.000 -2.485 -0.674) 2.575 26.935 ( -0.179 2.463 3.853) 4.577 26.986 ( -0.610 0.449 -1.100) 1.336 27.436 ( -1.707 8.252 8.224) 11.775 27.610 ( -1.153 0.711 -3.750) 3.987 28.034 ( -2.948 5.352 1.247) 6.237 28.156 ( -1.309 -2.951 0.720) 3.308 28.284 ( -4.544 5.109 -4.426) 8.145 28.333 ( -0.522 4.280 -2.246) 4.861 28.486 ( 3.844 4.201 -1.711) 5.946 28.619 ( 5.068 4.236 -2.091) 6.928 28.860 ( 0.441 -1.622 4.846) 5.129 29.033 ( 4.486 -12.172 -1.640) 13.076 30.556 ( 0.101 -1.079 -0.141) 1.092 30.599 ( 1.735 -3.056 -0.949) 3.640 ======================= Grid point 184 (97/108) ======================= q-point: ( 0.29 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.166 ( 0.077 7.034 3.784) 7.987 3.191 ( 7.303 8.349 -4.214) 11.866 3.405 ( 4.293 3.872 -2.815) 6.431 3.454 ( 2.505 2.908 6.491) 7.541 3.576 ( -4.514 10.553 -9.957) 15.195 3.787 ( -3.058 -3.290 -1.323) 4.683 3.897 ( -1.470 -3.111 -0.175) 3.446 4.076 ( -3.226 -4.900 -5.251) 7.873 4.205 ( 3.611 8.411 1.937) 9.356 4.314 ( 3.346 -8.522 -2.204) 9.417 4.499 ( 10.325 -16.980 -0.886) 19.892 4.601 ( 9.352 -0.672 7.761) 12.171 4.648 ( 4.375 2.415 -5.085) 7.130 4.759 ( 5.428 0.170 -6.848) 8.740 4.969 ( 0.777 0.910 5.612) 5.739 5.038 ( 4.414 15.233 4.516) 16.490 5.169 ( 2.982 7.120 7.920) 11.059 5.368 ( 7.043 -4.370 3.145) 8.865 5.420 ( 0.038 3.047 -4.855) 5.732 5.555 ( -7.497 -1.941 -0.917) 7.798 5.628 ( -1.272 -1.677 -2.282) 3.104 5.756 ( -2.524 -1.567 -2.709) 4.021 5.885 ( -0.829 -11.342 -0.109) 11.373 5.953 ( 4.451 0.993 6.725) 8.126 6.245 ( 9.139 2.068 3.419) 9.974 6.339 ( 6.036 0.742 7.653) 9.775 6.549 ( 2.185 5.967 0.846) 6.410 6.662 ( 1.853 -2.797 -6.557) 7.365 6.791 ( 3.927 15.592 3.505) 16.456 6.859 ( 11.341 6.293 -2.044) 13.130 7.104 ( -6.029 -5.739 -2.732) 8.760 7.203 ( 10.335 12.222 10.629) 19.214 7.322 ( 3.677 -5.896 3.978) 8.007 7.463 ( -8.147 -0.124 -5.447) 9.801 7.566 ( 6.637 6.933 -4.808) 10.735 7.716 ( -0.656 2.112 4.006) 4.576 7.792 ( -11.541 0.196 1.521) 11.643 8.067 ( -7.728 -6.553 10.512) 14.600 8.140 ( -9.672 3.889 -6.858) 12.478 8.306 ( -10.035 -1.395 -4.564) 11.112 8.562 ( -12.341 5.156 -5.067) 14.302 8.824 ( -12.314 13.213 -1.301) 18.108 8.916 ( -9.513 -6.154 9.410) 14.728 9.209 ( -10.632 3.083 -3.456) 11.597 9.452 ( -0.442 8.089 1.066) 8.171 9.582 ( -1.117 0.141 -18.270) 18.305 10.293 ( 5.172 2.470 -2.998) 6.468 10.405 ( 6.495 -2.486 -1.513) 7.117 10.986 ( 2.723 12.323 9.972) 16.084 11.238 ( 1.147 11.145 -9.586) 14.745 11.528 ( 3.065 -3.109 11.887) 12.664 11.767 ( 1.625 -2.935 -7.822) 8.511 12.562 ( 5.752 -4.271 7.810) 10.598 12.602 ( 5.629 -1.816 -2.539) 6.436 12.689 ( 3.009 -8.206 -2.121) 8.994 12.868 ( -2.886 -5.088 -3.129) 6.634 13.174 ( 5.767 4.733 -0.126) 7.461 13.348 ( 1.416 -6.670 0.238) 6.823 13.755 ( 0.280 -12.613 5.902) 13.928 13.852 ( 1.217 -9.090 -4.301) 10.130 14.380 ( -0.674 -4.203 13.231) 13.899 14.528 ( -1.737 -9.686 -3.338) 10.392 15.306 ( 0.465 -5.969 2.645) 6.546 15.373 ( -1.063 -6.717 -9.965) 12.065 15.758 ( -6.446 12.645 9.073) 16.846 16.098 ( -4.365 -0.442 -9.157) 10.153 16.567 ( -3.497 -5.516 2.086) 6.856 16.625 ( -2.948 -5.086 -3.249) 6.717 16.973 ( -2.573 2.613 3.409) 5.007 17.066 ( -4.330 -1.882 -1.660) 5.005 20.947 ( -0.774 16.993 2.535) 17.198 21.097 ( -2.335 12.504 -4.900) 13.632 21.581 ( -1.286 2.833 4.417) 5.402 21.844 ( -1.796 -4.253 -5.686) 7.324 22.084 ( -0.968 -5.462 9.887) 11.337 22.407 ( 0.036 -13.802 -15.278) 20.589 24.047 ( 1.243 8.877 12.899) 15.708 24.303 ( 1.126 2.615 -4.621) 5.428 24.365 ( 2.013 2.524 11.496) 11.941 24.599 ( 2.757 -2.926 -9.762) 10.558 25.725 ( -0.160 -1.636 0.653) 1.768 25.746 ( -0.163 -2.545 -0.940) 2.717 26.928 ( -0.484 2.091 3.317) 3.950 26.969 ( -0.883 0.386 -0.969) 1.367 27.409 ( -0.785 8.057 8.857) 11.999 27.578 ( -1.614 0.605 -2.102) 2.719 28.018 ( 1.059 6.526 2.169) 6.958 28.122 ( -1.903 -2.512 -1.760) 3.609 28.175 ( -4.946 6.227 -3.133) 8.547 28.286 ( -3.667 3.602 -4.180) 6.625 28.581 ( 4.699 3.509 -2.138) 6.242 28.692 ( 1.885 3.279 -1.315) 4.004 28.918 ( 4.388 -0.797 5.939) 7.427 29.114 ( 3.205 -12.692 -3.213) 13.479 30.565 ( 0.688 -1.368 0.410) 1.585 30.626 ( 0.789 -4.130 -1.833) 4.587 ======================= Grid point 185 (98/108) ======================= q-point: ( 0.43 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.145 ( -1.041 11.082 7.857) 13.624 3.323 ( 5.604 0.931 2.192) 6.089 3.386 ( -7.341 8.711 -4.016) 12.079 3.574 ( 6.632 3.861 -1.682) 7.857 3.587 ( 3.588 8.885 -10.135) 13.947 3.721 ( 0.086 -7.344 -3.866) 8.300 3.850 ( -2.995 -3.289 -2.345) 5.028 3.939 ( -7.094 -3.886 -2.990) 8.623 4.286 ( 1.648 7.041 0.208) 7.234 4.329 ( -0.299 -2.810 -0.928) 2.974 4.617 ( -1.671 -8.327 3.894) 9.343 4.655 ( 0.648 -6.077 -4.862) 7.809 4.774 ( 5.485 -1.307 7.717) 9.558 4.876 ( 3.314 -5.118 -1.729) 6.338 5.078 ( 11.786 -2.042 -0.732) 11.984 5.124 ( 3.140 10.870 8.081) 13.904 5.213 ( 0.126 8.488 8.192) 11.797 5.371 ( -7.678 -3.562 -3.661) 9.222 5.423 ( -2.209 4.606 -3.141) 5.997 5.470 ( 0.841 0.261 -4.559) 4.643 5.667 ( 4.077 0.662 -3.724) 5.562 5.699 ( -1.291 -1.134 -1.526) 2.298 5.974 ( 10.327 -5.553 5.139) 12.802 6.058 ( 3.986 -4.552 8.963) 10.814 6.365 ( -2.996 1.960 6.362) 7.300 6.476 ( 0.203 6.621 -1.145) 6.722 6.521 ( 7.802 -4.772 -0.060) 9.146 6.737 ( 0.774 -0.186 -7.832) 7.873 6.755 ( 0.258 1.639 2.664) 3.139 7.023 ( -7.211 -1.288 -8.012) 10.856 7.071 ( 1.059 0.736 5.962) 6.100 7.224 ( 4.754 -1.940 4.446) 6.792 7.306 ( -8.601 3.078 -5.659) 10.746 7.485 ( 5.032 0.289 -0.597) 5.075 7.657 ( 7.356 11.154 14.683) 19.853 7.716 ( 4.458 5.757 4.053) 8.333 7.768 ( 2.830 1.345 7.789) 8.396 7.905 ( -7.294 4.254 -2.909) 8.931 8.021 ( -3.066 -0.545 -7.470) 8.093 8.175 ( -3.090 -0.852 -0.528) 3.248 8.356 ( -5.949 12.273 -2.877) 13.939 8.546 ( -13.362 15.246 -3.648) 20.599 8.743 ( -5.141 -5.023 14.020) 15.755 9.014 ( -6.321 -2.378 -8.271) 10.678 9.436 ( -0.689 6.982 -3.490) 7.836 9.567 ( 0.122 -0.333 -18.678) 18.681 10.391 ( 3.542 2.633 0.275) 4.422 10.467 ( -0.017 -0.380 -2.028) 2.064 11.036 ( 1.737 12.886 9.424) 16.059 11.250 ( 0.010 13.013 -9.881) 16.339 11.576 ( 1.273 -4.246 12.449) 13.214 11.790 ( 0.521 -3.101 -6.795) 7.487 12.624 ( 1.799 -1.642 7.231) 7.630 12.712 ( 2.701 -6.598 -3.039) 7.750 12.748 ( 1.256 -7.240 -0.392) 7.359 12.830 ( -0.077 -3.376 -4.150) 5.350 13.299 ( 5.342 2.128 -0.111) 5.751 13.358 ( 0.228 -7.063 -1.427) 7.210 13.751 ( -0.695 -9.849 6.798) 11.988 13.872 ( 0.749 -7.296 -5.534) 9.188 14.351 ( -2.006 -6.110 12.977) 14.484 14.489 ( -1.752 -10.413 -1.400) 10.652 15.288 ( -1.707 -2.747 0.966) 3.375 15.368 ( 0.664 -5.649 -7.608) 9.500 15.701 ( 0.733 11.024 10.634) 15.334 16.009 ( -4.020 0.352 -11.030) 11.745 16.504 ( -2.128 -7.024 2.613) 7.790 16.575 ( -1.349 -6.638 -3.917) 7.825 16.944 ( -0.341 2.199 2.664) 3.471 17.000 ( -1.988 -0.675 -1.394) 2.520 20.944 ( 0.652 15.886 2.398) 16.079 21.047 ( -2.155 11.298 -4.491) 12.348 21.584 ( 1.130 4.483 5.508) 7.191 21.793 ( -2.645 1.941 -9.410) 9.965 22.080 ( 0.504 -8.969 12.773) 15.615 22.398 ( -0.834 -14.441 -15.929) 21.517 24.072 ( 0.974 8.433 13.384) 15.849 24.315 ( -0.030 1.925 -3.648) 4.125 24.395 ( 0.777 3.082 10.418) 10.892 24.654 ( 2.411 -4.008 -10.627) 11.611 25.719 ( -0.408 -1.546 1.404) 2.128 25.745 ( 0.109 -2.712 -1.382) 3.046 26.917 ( -0.512 1.904 3.226) 3.780 26.956 ( -0.346 0.238 -0.823) 0.924 27.408 ( 0.736 7.199 8.954) 11.512 27.555 ( -0.500 1.048 -2.418) 2.682 28.052 ( 1.447 7.107 5.185) 8.915 28.078 ( -2.111 3.080 -1.780) 4.137 28.110 ( -1.558 0.784 -3.703) 4.093 28.215 ( -2.374 5.104 -6.451) 8.562 28.662 ( 3.060 3.515 -1.570) 4.918 28.695 ( -1.419 2.372 -0.292) 2.779 28.990 ( 1.518 -2.772 9.501) 10.013 29.167 ( 2.440 -11.765 -8.518) 14.728 30.579 ( 0.556 -1.921 1.206) 2.335 30.629 ( -0.400 -4.021 -2.274) 4.637 ======================= Grid point 186 (99/108) ======================= q-point: (-0.43 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.105 ( -3.873 17.554 11.775) 21.489 3.264 ( -2.996 6.320 -0.493) 7.011 3.395 ( -0.034 5.860 3.013) 6.589 3.495 ( -6.463 1.199 -5.892) 8.828 3.688 ( 3.347 -4.616 -3.282) 6.578 3.760 ( -3.621 2.753 -10.766) 11.687 3.853 ( -0.693 -5.729 -1.710) 6.019 3.895 ( 9.592 -6.975 -1.643) 11.973 4.234 ( -4.383 3.771 4.812) 7.523 4.338 ( -0.086 3.542 -1.712) 3.935 4.544 ( -3.683 -4.960 4.436) 7.606 4.676 ( 0.046 -3.284 -1.252) 3.514 4.779 ( -6.229 -5.025 5.666) 9.806 4.864 ( -3.472 -5.718 1.436) 6.842 5.114 ( -5.732 -0.991 -1.011) 5.905 5.199 ( -0.855 10.043 5.954) 11.707 5.223 ( -0.737 9.779 0.098) 9.807 5.368 ( 11.301 -10.238 -3.682) 15.688 5.385 ( 0.739 6.966 -3.862) 7.999 5.537 ( 3.667 0.554 -5.531) 6.659 5.611 ( -4.083 -2.195 0.426) 4.655 5.732 ( -0.358 2.417 -4.317) 4.960 5.987 ( -7.766 -2.099 4.647) 9.290 6.184 ( 1.431 -5.572 -0.071) 5.754 6.355 ( -4.582 -0.905 1.774) 4.997 6.399 ( 4.770 -0.415 6.294) 7.908 6.624 ( -5.752 -0.442 -0.804) 5.824 6.660 ( -2.798 -0.136 -8.319) 8.778 6.830 ( 2.318 -1.468 1.688) 3.221 6.882 ( 2.412 1.072 -1.228) 2.911 7.114 ( -1.002 5.305 5.552) 7.744 7.202 ( 1.610 2.851 -1.201) 3.488 7.337 ( -5.357 -2.526 1.521) 6.115 7.387 ( -3.262 -4.419 3.219) 6.366 7.659 ( 1.021 8.014 9.442) 12.426 7.777 ( -3.449 6.721 6.957) 10.269 7.869 ( 4.729 0.988 1.239) 4.988 7.906 ( -3.330 3.573 -0.056) 4.885 8.046 ( -4.159 12.774 -15.952) 20.855 8.122 ( 12.793 5.420 0.103) 13.894 8.258 ( 3.063 8.351 6.001) 10.730 8.533 ( 8.016 8.733 -0.181) 11.856 8.794 ( 11.303 0.973 11.244) 15.973 8.991 ( 2.708 -12.765 -8.572) 15.613 9.444 ( 1.835 8.998 -8.453) 12.481 9.581 ( 0.999 0.516 -15.808) 15.848 10.374 ( -5.135 3.097 2.341) 6.438 10.460 ( -0.607 -0.696 -1.943) 2.151 11.050 ( -0.295 12.953 9.559) 16.101 11.238 ( -1.134 13.900 -10.287) 17.329 11.574 ( -1.336 -5.202 12.958) 14.027 11.785 ( -0.976 -2.683 -6.644) 7.232 12.624 ( -2.925 -4.427 4.586) 7.013 12.700 ( -4.538 -7.907 1.905) 9.313 12.733 ( -0.415 -3.086 1.242) 3.352 12.839 ( 0.420 -1.991 -7.443) 7.716 13.321 ( -1.409 -1.378 -1.709) 2.608 13.409 ( 2.256 -5.054 -5.441) 7.761 13.730 ( -1.242 -7.999 7.630) 11.124 13.883 ( 0.344 -8.875 -5.366) 10.376 14.313 ( -1.434 -6.602 14.550) 16.042 14.470 ( 0.015 -10.972 1.956) 11.145 15.269 ( -0.047 -0.779 -0.106) 0.787 15.399 ( 2.453 -5.406 -7.694) 9.718 15.750 ( 3.184 8.347 11.255) 14.370 15.958 ( -0.273 2.246 -11.367) 11.590 16.500 ( 1.793 -6.771 2.733) 7.518 16.582 ( 1.957 -7.457 -4.221) 8.789 16.954 ( 1.215 1.593 2.614) 3.294 16.990 ( 1.168 -0.116 -1.406) 1.832 20.974 ( 2.077 16.166 2.659) 16.515 21.022 ( -0.166 11.806 -5.131) 12.874 21.606 ( 0.707 2.186 5.490) 5.951 21.765 ( 0.332 5.219 -9.202) 10.584 22.096 ( 0.805 -10.859 13.581) 17.407 22.379 ( -0.879 -14.312 -16.009) 21.492 24.080 ( -0.211 8.243 13.261) 15.616 24.299 ( -1.525 1.097 -1.357) 2.318 24.396 ( -0.661 4.824 6.533) 8.148 24.688 ( 0.768 -4.873 -11.336) 12.363 25.712 ( -0.227 -1.232 1.540) 1.985 25.748 ( 0.128 -3.004 -1.163) 3.223 26.910 ( -0.123 2.151 3.356) 3.988 26.957 ( 0.458 0.059 -0.492) 0.675 27.436 ( 1.876 6.084 8.378) 10.523 27.558 ( 0.676 1.775 -4.229) 4.636 28.040 ( -2.226 2.241 2.849) 4.254 28.069 ( 1.181 9.025 1.855) 9.289 28.100 ( 1.000 2.016 -2.812) 3.602 28.217 ( 1.992 3.688 -6.264) 7.538 28.640 ( -3.893 0.408 0.278) 3.925 28.697 ( 0.233 2.938 -0.289) 2.961 28.971 ( -2.688 -2.405 8.059) 8.829 29.209 ( 0.954 -10.277 -9.219) 13.839 30.585 ( -0.033 -2.278 1.653) 2.815 30.614 ( -0.940 -3.456 -1.940) 4.073 ======================= Grid point 187 (100/108) ======================= q-point: (-0.29 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.035 ( -1.546 17.442 9.941) 20.135 3.179 ( -7.003 8.933 2.463) 11.615 3.349 ( -4.890 2.123 0.825) 5.394 3.411 ( 0.416 10.204 3.536) 10.808 3.675 ( -1.407 -0.830 -8.113) 8.276 3.779 ( 2.459 -3.422 -3.006) 5.175 3.873 ( 2.505 -6.304 1.227) 6.894 3.990 ( -0.583 -11.895 5.253) 13.016 4.158 ( -4.529 2.776 3.010) 6.106 4.373 ( 1.296 8.654 -8.663) 12.314 4.427 ( -5.449 -3.908 4.168) 7.895 4.593 ( -6.723 -1.219 4.409) 8.132 4.617 ( -7.195 -8.181 -1.182) 10.959 4.768 ( -7.040 -1.915 -0.324) 7.303 5.020 ( -3.076 2.952 -2.716) 5.055 5.152 ( -3.510 5.286 -0.348) 6.354 5.221 ( 1.663 8.177 0.848) 8.387 5.385 ( -1.819 2.966 -5.105) 6.178 5.504 ( -2.621 2.625 -4.743) 6.021 5.585 ( 8.919 -6.733 -4.474) 12.037 5.610 ( -6.617 -7.008 -0.423) 9.648 5.718 ( 6.113 -2.394 -0.632) 6.595 5.869 ( -3.810 -2.575 3.135) 5.565 6.047 ( -9.111 -3.370 -1.599) 9.845 6.268 ( -1.686 6.550 2.801) 7.320 6.451 ( -8.407 -0.005 -3.699) 9.184 6.501 ( 2.743 2.023 5.641) 6.591 6.619 ( -5.940 -2.925 -6.682) 9.407 6.764 ( -8.297 8.540 7.004) 13.814 6.903 ( -7.403 7.716 -2.683) 11.025 7.040 ( 7.002 -4.453 1.940) 8.522 7.211 ( -7.717 4.654 8.676) 12.509 7.316 ( -2.004 0.583 2.422) 3.197 7.424 ( 5.345 -2.634 -0.101) 5.960 7.497 ( -6.101 13.523 2.271) 15.008 7.713 ( 1.021 2.381 5.733) 6.291 7.957 ( 7.431 6.328 -8.279) 12.799 8.041 ( 9.130 2.169 0.166) 9.386 8.137 ( 11.154 3.034 -3.054) 11.956 8.310 ( 9.089 -1.298 -1.134) 9.251 8.459 ( 12.432 1.380 2.830) 12.825 8.799 ( 14.920 11.938 0.975) 19.133 9.023 ( 5.787 -10.310 9.491) 15.161 9.105 ( 10.453 -6.071 -5.371) 13.227 9.503 ( 3.102 10.924 -10.181) 15.252 9.598 ( 0.545 3.880 -11.684) 12.324 10.243 ( -6.821 3.493 2.297) 8.000 10.400 ( -5.525 -2.889 -1.663) 6.453 11.029 ( -1.713 11.695 9.944) 15.446 11.206 ( -1.948 13.483 -10.724) 17.338 11.529 ( -2.809 -5.813 13.065) 14.573 11.755 ( -1.820 -1.720 -7.650) 8.050 12.498 ( -7.572 -4.260 4.101) 9.607 12.597 ( -6.350 -11.616 5.555) 14.356 12.701 ( -1.292 2.470 -0.158) 2.792 12.873 ( 2.225 -1.789 -7.258) 7.799 13.274 ( -2.974 -1.489 -6.628) 7.416 13.397 ( -3.253 -3.476 -4.348) 6.448 13.714 ( -0.225 -10.064 7.091) 12.313 13.881 ( -0.627 -12.180 -4.488) 12.996 14.302 ( 0.350 -5.482 16.713) 17.592 14.485 ( 1.197 -10.728 3.725) 11.420 15.273 ( 0.150 -1.581 -1.587) 2.245 15.449 ( 1.671 -7.889 -9.362) 12.356 15.828 ( 5.174 8.897 9.326) 13.889 16.008 ( 4.543 3.167 -7.621) 9.421 16.561 ( 3.629 -5.086 2.321) 6.665 16.637 ( 2.879 -6.519 -3.849) 8.099 16.995 ( 2.908 1.276 2.759) 4.207 17.046 ( 4.047 -0.827 -1.199) 4.301 21.014 ( 1.433 17.751 2.970) 18.055 21.038 ( 1.602 13.449 -5.971) 14.802 21.623 ( 1.544 -1.649 2.621) 3.460 21.797 ( 2.095 3.560 -4.896) 6.406 22.108 ( 0.447 -10.803 12.878) 16.815 22.368 ( -0.146 -13.404 -15.375) 20.398 24.067 ( -0.962 8.262 12.977) 15.413 24.259 ( -2.126 1.161 -0.000) 2.422 24.372 ( -1.578 6.141 3.102) 7.058 24.678 ( -1.763 -4.907 -11.630) 12.745 25.712 ( 0.264 -1.104 1.160) 1.623 25.749 ( 0.001 -3.001 -0.694) 3.080 26.913 ( 0.404 2.573 3.707) 4.531 26.971 ( 0.785 0.029 -0.281) 0.834 27.474 ( 1.461 5.736 7.618) 9.647 27.580 ( 1.434 2.440 -6.244) 6.855 28.008 ( -0.044 4.535 1.159) 4.681 28.122 ( 3.923 5.831 1.356) 7.157 28.145 ( 3.041 0.707 -1.368) 3.409 28.262 ( 2.096 3.803 -2.688) 5.107 28.544 ( -5.359 -0.171 1.161) 5.486 28.670 ( -2.716 2.662 0.667) 3.861 28.911 ( -2.769 -0.605 4.050) 4.944 29.185 ( -3.382 -9.559 -7.158) 12.411 30.572 ( -1.073 -1.658 0.319) 2.000 30.599 ( -0.547 -3.308 -0.060) 3.353 ======================= Grid point 188 (101/108) ======================= q-point: (-0.14 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.021 ( -4.385 11.763 1.758) 12.676 3.064 ( 0.061 7.104 6.922) 9.919 3.244 ( -1.945 14.805 6.742) 16.383 3.474 ( 3.804 5.610 6.510) 9.398 3.684 ( 1.484 -1.819 -5.729) 6.191 3.778 ( -1.212 -0.331 2.587) 2.876 3.938 ( 3.011 -5.317 1.928) 6.408 4.009 ( -2.019 -11.561 5.783) 13.083 4.019 ( -2.315 0.656 -2.416) 3.410 4.194 ( -8.732 -1.014 0.153) 8.792 4.414 ( -8.562 -4.233 -0.531) 9.566 4.458 ( -2.848 0.217 0.813) 2.969 4.557 ( -6.378 3.902 -4.236) 8.594 4.614 ( 0.542 -1.683 -8.475) 8.658 4.933 ( -4.629 1.288 4.513) 6.592 5.145 ( -0.967 -0.894 -8.278) 8.382 5.253 ( -0.450 8.230 0.125) 8.243 5.328 ( -3.941 6.581 -2.418) 8.043 5.374 ( -0.429 1.759 -2.644) 3.205 5.569 ( 1.961 0.380 -1.511) 2.505 5.712 ( 1.234 -2.468 0.593) 2.822 5.816 ( -1.460 0.548 -1.291) 2.024 5.874 ( -1.701 -3.577 6.254) 7.403 5.882 ( 3.058 -3.830 0.711) 4.952 6.225 ( -5.748 9.591 -7.702) 13.577 6.296 ( -5.456 -2.758 -2.104) 6.466 6.445 ( -7.815 0.422 2.433) 8.196 6.549 ( 1.241 3.148 -0.731) 3.462 6.672 ( -2.074 5.490 0.572) 5.896 6.780 ( 1.064 -1.561 2.401) 3.055 7.005 ( -12.341 14.753 17.350) 25.903 7.074 ( -3.335 9.024 -5.705) 11.184 7.287 ( 2.534 -4.389 0.127) 5.070 7.467 ( 9.092 -1.495 1.025) 9.271 7.564 ( -8.115 4.591 -2.723) 9.713 7.718 ( 5.210 -3.279 4.717) 7.755 8.121 ( 5.832 1.680 -8.594) 10.521 8.263 ( 6.069 -2.691 0.022) 6.639 8.360 ( 14.424 4.613 -1.591) 15.227 8.574 ( 16.036 -1.757 -1.196) 16.176 8.666 ( 6.220 2.270 4.006) 7.739 9.021 ( 4.278 6.774 -1.542) 8.159 9.113 ( 6.137 -10.819 4.860) 13.354 9.281 ( 4.958 -0.841 2.197) 5.488 9.535 ( -0.408 9.392 -7.156) 11.814 9.599 ( -0.788 7.741 -9.515) 12.291 10.127 ( -3.960 1.586 2.224) 4.811 10.260 ( -6.862 -3.143 -4.076) 8.578 10.990 ( -1.828 10.921 9.857) 14.825 11.170 ( -1.236 12.598 -10.334) 16.341 11.476 ( -2.069 -5.383 13.727) 14.889 11.722 ( -1.167 -1.154 -9.302) 9.445 12.373 ( -4.125 -6.897 5.083) 9.509 12.476 ( -4.581 -10.345 2.938) 11.689 12.688 ( -0.253 5.815 2.299) 6.258 12.898 ( -0.037 0.720 -8.600) 8.630 13.224 ( -1.256 -4.494 -7.578) 8.899 13.302 ( -5.418 -2.919 -1.888) 6.437 13.715 ( 0.194 -12.344 6.587) 13.993 13.860 ( -1.349 -14.531 -4.008) 15.133 14.322 ( 1.453 -3.767 17.409) 17.871 14.513 ( 1.471 -9.821 3.089) 10.400 15.272 ( -0.149 -2.892 -1.197) 3.133 15.455 ( -0.848 -9.319 -11.513) 14.836 15.951 ( 5.664 7.827 9.231) 13.363 16.107 ( 4.639 2.883 -6.802) 8.724 16.624 ( 2.161 -3.579 1.710) 4.517 16.683 ( 1.471 -4.946 -3.282) 6.115 17.064 ( 3.268 1.054 4.374) 5.561 17.133 ( 3.917 -1.710 -2.040) 4.736 21.023 ( -0.568 19.743 3.667) 20.089 21.076 ( 1.974 14.953 -7.013) 16.633 21.676 ( 3.201 -5.550 3.104) 7.120 21.824 ( 0.300 -1.659 -3.426) 3.819 22.118 ( 0.557 -8.363 11.554) 14.274 22.371 ( 0.418 -12.414 -14.977) 19.457 24.048 ( -0.789 8.318 12.480) 15.019 24.225 ( -0.884 1.845 1.533) 2.556 24.338 ( -1.600 6.792 1.048) 7.056 24.622 ( -3.391 -3.700 -11.747) 12.774 25.721 ( 0.593 -1.392 0.680) 1.659 25.748 ( -0.152 -2.622 -0.402) 2.657 26.924 ( 0.588 2.808 4.162) 5.055 26.985 ( 0.566 0.185 -0.501) 0.778 27.487 ( -0.158 6.556 7.411) 9.896 27.607 ( 1.013 2.608 -7.069) 7.603 28.055 ( 4.528 3.609 -1.264) 5.927 28.181 ( -0.235 -0.186 2.066) 2.088 28.220 ( 4.915 0.990 -1.557) 5.250 28.303 ( 1.415 4.073 0.527) 4.344 28.452 ( -1.963 4.530 0.893) 5.017 28.594 ( -4.698 5.584 0.289) 7.303 28.874 ( -0.426 -3.775 2.537) 4.568 29.081 ( -6.269 -8.971 -4.993) 12.030 30.555 ( -0.346 -0.889 -0.039) 0.954 30.585 ( -0.934 -2.740 0.223) 2.904 ======================= Grid point 189 (102/108) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.104 ( 2.364 -4.565 3.476) 6.206 3.104 ( 2.364 4.565 3.476) 6.206 3.527 ( -3.955 -10.053 6.337) 12.525 3.527 ( -3.955 10.053 6.337) 12.525 3.666 ( 4.170 -6.090 -4.806) 8.808 3.666 ( 4.170 6.090 -4.806) 8.808 3.946 ( -3.930 -5.531 2.523) 7.239 3.946 ( -3.930 5.531 2.523) 7.239 4.019 ( 5.079 -3.653 -1.660) 6.473 4.019 ( 5.079 3.653 -1.660) 6.473 4.341 ( -0.479 -4.212 7.911) 8.975 4.341 ( -0.479 4.212 7.911) 8.975 4.566 ( -1.329 -6.407 -11.386) 13.132 4.566 ( -1.329 6.407 -11.386) 13.132 4.974 ( -0.516 -6.895 0.115) 6.915 4.974 ( -0.516 6.895 0.115) 6.915 5.397 ( -0.694 -6.824 4.914) 8.438 5.397 ( -0.694 6.824 4.914) 8.438 5.491 ( 0.212 -7.077 -2.816) 7.619 5.491 ( 0.212 7.077 -2.816) 7.619 5.824 ( 0.554 -6.263 -2.554) 6.787 5.824 ( 0.554 6.263 -2.554) 6.787 5.871 ( 0.506 -0.778 1.911) 2.125 5.871 ( 0.506 0.778 1.911) 2.125 6.134 ( -2.362 -2.928 -5.568) 6.720 6.134 ( -2.362 2.928 -5.568) 6.720 6.434 ( -1.008 -1.576 -1.533) 2.418 6.434 ( -1.008 1.576 -1.533) 2.418 6.761 ( 3.111 -2.349 2.149) 4.452 6.761 ( 3.111 2.349 2.149) 4.452 7.154 ( -5.861 -9.682 10.209) 15.242 7.154 ( -5.861 9.682 10.209) 15.242 7.377 ( 7.637 -10.583 7.915) 15.263 7.377 ( 7.637 10.583 7.915) 15.263 7.636 ( -2.691 -8.683 -7.590) 11.842 7.636 ( -2.691 8.683 -7.590) 11.842 8.180 ( -3.343 -2.000 -5.066) 6.390 8.180 ( -3.343 2.000 -5.066) 6.390 8.676 ( -1.614 -1.297 -0.556) 2.144 8.676 ( -1.614 1.297 -0.556) 2.144 8.927 ( 6.855 -5.006 -0.121) 8.489 8.927 ( 6.855 5.006 -0.121) 8.489 9.241 ( -0.415 -3.467 -1.266) 3.715 9.241 ( -0.415 3.467 -1.266) 3.715 9.640 ( -2.795 -2.398 -0.979) 3.810 9.640 ( -2.795 2.398 -0.979) 3.810 10.122 ( 1.058 -2.626 -3.989) 4.891 10.122 ( 1.058 2.626 -3.989) 4.891 11.191 ( -0.576 -9.682 7.685) 12.374 11.191 ( -0.576 9.682 7.685) 12.374 11.554 ( 0.834 -12.531 -6.613) 14.194 11.554 ( 0.834 12.531 -6.613) 14.194 12.301 ( 0.902 -4.583 2.902) 5.499 12.301 ( 0.902 4.583 2.902) 5.499 12.840 ( -1.385 -8.725 5.587) 10.453 12.840 ( -1.385 8.725 5.587) 10.453 13.150 ( -0.339 -4.651 -10.184) 11.201 13.150 ( -0.339 4.651 -10.184) 11.201 13.622 ( -0.152 -4.399 0.672) 4.452 13.622 ( -0.152 4.399 0.672) 4.452 14.395 ( 1.470 -5.260 11.145) 12.412 14.395 ( 1.470 5.260 11.145) 12.412 15.279 ( -0.799 -4.658 -8.152) 9.423 15.279 ( -0.799 4.658 -8.152) 9.423 16.141 ( 0.143 -5.234 3.167) 6.119 16.141 ( 0.143 5.234 3.167) 6.119 16.627 ( 0.095 -1.871 -2.117) 2.827 16.627 ( 0.095 1.871 -2.117) 2.827 17.137 ( 0.022 -2.407 0.756) 2.523 17.137 ( 0.022 2.407 0.756) 2.523 21.296 ( -0.533 -3.578 -0.457) 3.646 21.296 ( -0.533 3.578 -0.457) 3.646 21.651 ( 0.042 -4.980 2.673) 5.652 21.651 ( 0.042 4.980 2.673) 5.652 22.158 ( 0.607 -8.210 -5.939) 10.151 22.158 ( 0.607 8.210 -5.939) 10.151 24.179 ( 0.336 -5.358 12.849) 13.926 24.179 ( 0.336 5.358 12.849) 13.926 24.470 ( -0.981 -6.642 -10.210) 12.220 24.470 ( -0.981 6.642 -10.210) 12.220 25.720 ( 0.068 -0.469 0.083) 0.481 25.720 ( 0.068 0.469 0.083) 0.481 26.977 ( 0.145 -1.576 2.030) 2.574 26.977 ( 0.145 1.576 2.030) 2.574 27.595 ( -0.685 -4.155 1.144) 4.364 27.595 ( -0.685 4.155 1.144) 4.364 28.131 ( -0.994 -0.517 -0.613) 1.278 28.131 ( -0.994 0.517 -0.613) 1.278 28.347 ( 2.963 -1.169 -1.175) 3.395 28.347 ( 2.963 1.169 -1.175) 3.395 28.592 ( 0.168 -0.761 -0.601) 0.984 28.592 ( 0.168 0.761 -0.601) 0.984 28.830 ( -1.446 -2.645 0.341) 3.033 28.830 ( -1.446 2.645 0.341) 3.033 30.549 ( 0.128 -0.247 -0.278) 0.393 30.549 ( 0.128 0.247 -0.278) 0.393 ======================= Grid point 191 (103/108) ======================= q-point: ( 0.14 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.198 ( 5.455 -4.531 -1.981) 7.363 3.198 ( 5.455 4.531 -1.981) 7.363 3.431 ( -3.148 -4.304 7.071) 8.856 3.431 ( -3.148 4.304 7.071) 8.856 3.787 ( 4.490 -11.701 -5.388) 13.642 3.787 ( 4.490 11.701 -5.388) 13.642 3.883 ( -1.429 -4.120 1.620) 4.652 3.883 ( -1.429 4.120 1.619) 4.652 4.103 ( 4.263 -3.199 -3.237) 6.236 4.103 ( 4.263 3.199 -3.237) 6.236 4.392 ( 4.088 -0.627 9.465) 10.329 4.392 ( 4.088 0.627 9.465) 10.329 4.615 ( 5.442 -5.002 -11.558) 13.719 4.615 ( 5.442 5.002 -11.558) 13.719 5.027 ( 6.106 -7.505 4.080) 10.500 5.027 ( 6.106 7.505 4.080) 10.500 5.318 ( -6.372 -1.492 4.576) 7.985 5.318 ( -6.372 1.492 4.576) 7.985 5.493 ( 0.092 -3.557 -3.371) 4.901 5.493 ( 0.092 3.557 -3.371) 4.901 5.727 ( -7.479 -7.535 -3.003) 11.033 5.727 ( -7.479 7.535 -3.003) 11.033 5.884 ( 0.620 -4.028 0.598) 4.119 5.884 ( 0.620 4.028 0.598) 4.119 6.158 ( 4.756 -4.215 1.016) 6.436 6.158 ( 4.756 4.215 1.016) 6.436 6.545 ( 8.172 -6.966 0.313) 10.743 6.545 ( 8.172 6.966 0.313) 10.743 6.844 ( 4.431 -2.414 -3.368) 6.067 6.844 ( 4.431 2.414 -3.368) 6.067 7.091 ( 0.817 -6.665 9.464) 11.604 7.091 ( 0.817 6.665 9.464) 11.604 7.446 ( -2.132 -9.103 5.900) 11.056 7.446 ( -2.132 9.103 5.900) 11.056 7.630 ( 3.612 -7.458 -3.238) 8.897 7.630 ( 3.612 7.458 -3.238) 8.897 8.059 ( -8.769 -3.924 1.068) 9.667 8.059 ( -8.769 3.924 1.068) 9.667 8.479 ( -13.122 -3.984 -3.341) 14.115 8.479 ( -13.122 3.984 -3.341) 14.115 8.922 ( -8.358 -6.702 -3.337) 11.221 8.922 ( -8.358 6.702 -3.337) 11.221 9.246 ( -1.151 -10.709 -3.415) 11.299 9.246 ( -1.151 10.709 -3.415) 11.299 9.601 ( -0.795 -1.904 0.240) 2.077 9.601 ( -0.795 1.904 0.240) 2.077 10.199 ( 6.060 -0.960 -4.172) 7.420 10.199 ( 6.060 0.960 -4.172) 7.420 11.196 ( 1.220 -10.455 8.204) 13.345 11.196 ( 1.220 10.455 8.204) 13.345 11.586 ( 1.990 -11.239 -7.525) 13.671 11.586 ( 1.990 11.239 -7.525) 13.671 12.379 ( 6.508 -4.158 1.851) 7.942 12.379 ( 6.508 4.158 1.851) 7.942 12.780 ( -3.854 -9.126 5.309) 11.239 12.780 ( -3.854 9.126 5.309) 11.239 13.186 ( 3.204 -5.397 -6.755) 9.221 13.186 ( 3.204 5.397 -6.755) 9.221 13.639 ( 1.770 -4.473 0.497) 4.836 13.639 ( 1.770 4.473 0.497) 4.836 14.410 ( -0.056 -4.780 8.610) 9.848 14.410 ( -0.056 4.780 8.610) 9.848 15.269 ( -0.160 -3.602 -6.683) 7.594 15.269 ( -0.160 3.602 -6.683) 7.594 16.095 ( -4.325 -7.416 3.019) 9.100 16.095 ( -4.325 7.416 3.019) 9.100 16.606 ( -2.235 -2.066 -2.449) 3.906 16.606 ( -2.235 2.066 -2.449) 3.906 17.098 ( -3.417 -2.926 0.590) 4.538 17.098 ( -3.417 2.926 0.590) 4.538 21.259 ( -2.865 -5.830 0.180) 6.498 21.259 ( -2.865 5.830 0.180) 6.498 21.664 ( 1.022 -7.047 3.123) 7.776 21.664 ( 1.022 7.047 3.123) 7.776 22.161 ( -0.381 -8.725 -7.369) 11.427 22.161 ( -0.381 8.725 -7.369) 11.427 24.192 ( 0.895 -6.593 13.143) 14.731 24.192 ( 0.895 6.593 13.143) 14.731 24.469 ( 0.918 -6.211 -9.162) 11.107 24.469 ( 0.918 6.212 -9.162) 11.107 25.719 ( -0.122 -0.552 -0.044) 0.567 25.719 ( -0.122 0.552 -0.044) 0.567 26.974 ( -0.486 -1.408 1.697) 2.258 26.974 ( -0.486 1.408 1.697) 2.258 27.571 ( -1.535 -4.597 2.469) 5.439 27.571 ( -1.535 4.597 2.469) 5.439 28.099 ( -1.629 -2.480 0.096) 2.968 28.099 ( -1.629 2.480 0.096) 2.968 28.366 ( -1.819 -1.348 -3.651) 4.296 28.366 ( -1.819 1.348 -3.651) 4.296 28.599 ( 1.843 -6.034 -2.438) 6.764 28.599 ( 1.843 6.034 -2.438) 6.764 28.871 ( 4.131 -3.721 2.667) 6.167 28.871 ( 4.131 3.721 2.667) 6.167 30.556 ( 0.538 -1.107 -0.513) 1.333 30.556 ( 0.538 1.107 -0.513) 1.333 ======================= Grid point 193 (104/108) ======================= q-point: ( 0.29 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.263 ( 1.383 -2.033 0.152) 2.464 3.263 ( 1.383 2.033 0.152) 2.464 3.452 ( 4.464 -4.211 4.100) 7.381 3.452 ( 4.464 4.211 4.100) 7.381 3.795 ( -3.545 -9.136 -4.626) 10.837 3.795 ( -3.545 9.136 -4.626) 10.837 3.862 ( -0.554 -11.289 -7.040) 13.316 3.862 ( -0.554 11.289 -7.040) 13.316 4.243 ( 7.959 -4.679 0.540) 9.248 4.243 ( 7.959 4.679 0.540) 9.248 4.475 ( 3.672 -9.973 4.883) 11.695 4.475 ( 3.672 9.973 4.883) 11.695 4.716 ( 3.801 -3.760 -8.665) 10.182 4.716 ( 3.801 3.760 -8.665) 10.182 5.139 ( -1.542 -12.955 7.596) 15.096 5.139 ( -1.541 12.955 7.596) 15.096 5.264 ( 7.112 -4.232 6.040) 10.246 5.264 ( 7.112 4.232 6.040) 10.246 5.512 ( 2.264 -9.996 -4.294) 11.112 5.512 ( 2.264 9.996 -4.294) 11.112 5.588 ( -5.074 -6.011 -2.567) 8.274 5.588 ( -5.074 6.011 -2.567) 8.274 5.903 ( 1.728 -5.839 2.340) 6.524 5.903 ( 1.728 5.839 2.340) 6.524 6.311 ( 8.808 -3.461 4.741) 10.585 6.311 ( 8.808 3.461 4.741) 10.585 6.620 ( -1.094 -1.841 -1.353) 2.533 6.620 ( -1.094 1.841 -1.353) 2.533 6.947 ( 6.098 -4.038 -3.460) 8.091 6.947 ( 6.098 4.038 -3.460) 8.091 7.125 ( -1.833 -12.100 3.191) 12.647 7.125 ( -1.833 12.100 3.191) 12.647 7.429 ( 0.951 -5.512 -0.474) 5.613 7.429 ( 0.952 5.512 -0.474) 5.613 7.697 ( 3.709 -4.602 3.036) 6.645 7.697 ( 3.709 4.602 3.036) 6.645 7.872 ( -6.355 -9.697 11.532) 16.352 7.872 ( -6.355 9.697 11.532) 16.352 8.244 ( -9.977 -4.796 -7.220) 13.217 8.244 ( -9.977 4.796 -7.220) 13.217 8.705 ( -10.480 -9.125 -1.471) 13.974 8.705 ( -10.480 9.125 -1.471) 13.974 9.117 ( -10.914 -10.778 -3.816) 15.807 9.117 ( -10.914 10.778 -3.816) 15.807 9.580 ( -1.764 -2.778 -6.400) 7.196 9.580 ( -1.764 2.778 -6.400) 7.196 10.338 ( 6.671 -2.909 -2.242) 7.615 10.338 ( 6.671 2.909 -2.242) 7.615 11.242 ( 2.986 -10.613 8.549) 13.951 11.242 ( 2.986 10.613 8.549) 13.951 11.624 ( 1.511 -10.531 -7.492) 13.012 11.624 ( 1.511 10.531 -7.492) 13.012 12.539 ( 8.174 -3.148 -0.185) 8.761 12.539 ( 8.174 3.148 -0.185) 8.761 12.708 ( -2.625 -8.129 5.506) 10.163 12.708 ( -2.625 8.129 5.506) 10.163 13.250 ( 2.553 -3.211 -3.615) 5.468 13.250 ( 2.553 3.211 -3.615) 5.468 13.686 ( 2.591 -5.379 -0.270) 5.976 13.686 ( 2.591 5.379 -0.270) 5.976 14.390 ( -1.879 -4.218 6.865) 8.274 14.390 ( -1.879 4.218 6.865) 8.274 15.271 ( 0.247 -2.389 -4.933) 5.486 15.271 ( 0.247 2.389 -4.933) 5.486 15.993 ( -4.978 -9.677 2.999) 11.288 15.993 ( -4.978 9.677 2.999) 11.288 16.539 ( -4.057 -2.575 -3.086) 5.710 16.539 ( -4.057 2.575 -3.086) 5.710 17.025 ( -3.200 -2.356 0.405) 3.995 17.025 ( -3.200 2.356 0.405) 3.995 21.196 ( -2.935 -4.906 0.141) 5.718 21.196 ( -2.935 4.906 0.141) 5.718 21.687 ( 1.206 -8.488 4.439) 9.654 21.687 ( 1.206 8.488 4.439) 9.654 22.143 ( -1.295 -10.350 -8.987) 13.768 22.143 ( -1.295 10.350 -8.987) 13.768 24.213 ( 1.038 -7.227 13.183) 15.070 24.213 ( 1.038 7.227 13.183) 15.070 24.500 ( 1.881 -6.587 -8.267) 10.736 24.500 ( 1.881 6.587 -8.267) 10.736 25.715 ( -0.194 -0.548 -0.108) 0.592 25.715 ( -0.194 0.548 -0.108) 0.592 26.960 ( -0.797 -1.143 1.366) 1.952 26.960 ( -0.797 1.143 1.366) 1.952 27.541 ( -1.254 -4.461 3.745) 5.958 27.541 ( -1.254 4.461 3.745) 5.958 28.077 ( -0.417 -1.820 -0.354) 1.900 28.077 ( -0.417 1.820 -0.354) 1.900 28.300 ( -3.813 -3.239 -3.362) 6.027 28.300 ( -3.813 3.239 -3.362) 6.027 28.656 ( 2.886 -4.740 -3.565) 6.596 28.656 ( 2.886 4.740 -3.565) 6.596 28.956 ( 3.789 -4.107 2.870) 6.281 28.956 ( 3.789 4.107 2.870) 6.282 30.567 ( 0.501 -1.580 -0.673) 1.789 30.567 ( 0.501 1.580 -0.673) 1.789 ======================= Grid point 195 (105/108) ======================= q-point: ( 0.43 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.306 ( 3.227 -3.950 6.226) 8.049 3.306 ( 3.227 3.950 6.226) 8.048 3.534 ( 1.243 -6.718 -2.604) 7.311 3.534 ( 1.243 6.718 -2.604) 7.311 3.686 ( -4.573 -3.855 -3.047) 6.713 3.686 ( -4.573 3.855 -3.047) 6.713 3.849 ( -1.614 -7.530 -8.859) 11.738 3.849 ( -1.614 7.530 -8.859) 11.738 4.369 ( 4.672 -8.219 2.036) 9.671 4.369 ( 4.672 8.219 2.036) 9.671 4.495 ( -2.358 -10.484 -1.641) 10.871 4.495 ( -2.358 10.484 -1.641) 10.871 4.785 ( 2.905 -3.651 0.317) 4.676 4.785 ( 2.905 3.651 0.317) 4.676 5.124 ( 1.351 -6.225 2.781) 6.950 5.124 ( 1.351 6.225 2.781) 6.950 5.370 ( 1.787 -4.639 3.052) 5.833 5.370 ( 1.787 4.639 3.052) 5.833 5.461 ( -3.745 -6.176 -1.081) 7.303 5.461 ( -3.745 6.176 -1.081) 7.303 5.700 ( 9.779 -4.199 -2.389) 10.908 5.700 ( 9.779 4.199 -2.389) 10.908 5.948 ( 2.398 -5.566 7.831) 9.902 5.948 ( 2.398 5.566 7.831) 9.902 6.414 ( 0.004 -4.262 1.383) 4.481 6.414 ( 0.004 4.262 1.383) 4.481 6.625 ( 3.774 -7.097 -4.213) 9.075 6.625 ( 3.774 7.097 -4.213) 9.075 6.903 ( -11.478 -8.087 -2.842) 14.325 6.903 ( -11.478 8.087 -2.842) 14.325 7.142 ( 6.736 -4.469 5.995) 10.064 7.142 ( 6.736 4.469 5.995) 10.064 7.401 ( -2.131 -5.570 -5.299) 7.978 7.401 ( -2.131 5.570 -5.299) 7.978 7.745 ( -1.521 -2.245 8.706) 9.118 7.745 ( -1.521 2.245 8.706) 9.118 7.932 ( 5.800 -5.375 5.086) 9.402 7.932 ( 5.800 5.375 5.086) 9.402 8.077 ( -1.399 -8.362 -2.109) 8.736 8.077 ( -1.399 8.362 -2.109) 8.736 8.577 ( -0.943 -10.115 2.169) 10.388 8.577 ( -0.943 10.115 2.169) 10.388 8.850 ( -13.992 -13.112 -4.903) 19.793 8.850 ( -13.992 13.112 -4.903) 19.793 9.549 ( -0.497 -2.859 -11.359) 11.724 9.549 ( -0.497 2.859 -11.359) 11.724 10.434 ( 2.267 -2.147 -0.825) 3.229 10.434 ( 2.267 2.147 -0.825) 3.229 11.297 ( 1.965 -10.476 8.236) 13.470 11.297 ( 1.965 10.476 8.236) 13.470 11.641 ( 0.115 -10.818 -6.498) 12.620 11.641 ( 0.115 10.818 -6.498) 12.620 12.618 ( -0.666 -1.511 -0.722) 1.802 12.618 ( -0.666 1.511 -0.722) 1.802 12.734 ( 4.374 -4.824 4.583) 7.963 12.734 ( 4.374 4.824 4.583) 7.963 13.282 ( 0.848 -1.249 -3.252) 3.585 13.282 ( 0.848 1.249 -3.252) 3.585 13.730 ( 1.345 -5.736 -0.781) 5.944 13.730 ( 1.345 5.736 -0.781) 5.944 14.343 ( -2.371 -4.090 7.616) 8.964 14.343 ( -2.371 4.090 7.616) 8.964 15.278 ( 0.544 -2.414 -4.221) 4.893 15.278 ( 0.544 2.414 -4.221) 4.893 15.920 ( -1.840 -9.132 2.852) 9.742 15.920 ( -1.840 9.132 2.852) 9.742 16.465 ( -2.467 -3.172 -3.484) 5.318 16.465 ( -2.467 3.172 -3.484) 5.318 16.981 ( -1.059 -1.362 0.336) 1.758 16.981 ( -1.059 1.362 0.336) 1.758 21.154 ( -0.948 -2.646 -0.336) 2.831 21.154 ( -0.948 2.646 -0.336) 2.831 21.709 ( 0.785 -8.455 5.513) 10.124 21.709 ( 0.785 8.455 5.513) 10.124 22.114 ( -1.319 -11.671 -9.643) 15.197 22.114 ( -1.319 11.671 -9.643) 15.197 24.229 ( 0.403 -6.875 13.188) 14.878 24.229 ( 0.403 6.875 13.188) 14.878 24.536 ( 1.410 -7.299 -8.475) 11.273 24.536 ( 1.410 7.299 -8.475) 11.273 25.712 ( -0.158 -0.686 -0.010) 0.704 25.712 ( -0.158 0.686 -0.010) 0.704 26.946 ( -0.465 -1.030 1.279) 1.706 26.946 ( -0.465 1.030 1.279) 1.706 27.526 ( -0.114 -3.966 4.126) 5.724 27.526 ( -0.114 3.966 4.126) 5.724 28.081 ( 0.570 -0.904 -0.514) 1.186 28.081 ( 0.570 0.904 -0.514) 1.186 28.233 ( -2.349 -4.041 -3.675) 5.946 28.233 ( -2.349 4.041 -3.675) 5.946 28.689 ( 0.030 -1.443 -1.073) 1.798 28.689 ( 0.030 1.443 -1.073) 1.798 29.019 ( 2.417 -4.146 0.578) 4.834 29.019 ( 2.417 4.146 0.578) 4.834 30.573 ( 0.068 -1.367 -0.586) 1.489 30.573 ( 0.068 1.367 -0.586) 1.489 ======================= Grid point 197 (106/108) ======================= q-point: (-0.43 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.377 ( 0.812 -6.658 5.387) 8.603 3.377 ( 0.812 6.658 5.387) 8.603 3.445 ( -4.556 -10.262 -1.850) 11.379 3.445 ( -4.556 10.262 -1.850) 11.379 3.688 ( 1.853 -7.944 2.747) 8.607 3.688 ( 1.853 7.944 2.747) 8.607 3.797 ( -2.667 -1.735 -8.636) 9.203 3.797 ( -2.667 1.735 -8.636) 9.203 4.393 ( -4.866 -7.108 -0.250) 8.617 4.393 ( -4.866 7.108 -0.250) 8.617 4.478 ( 4.155 -10.375 0.415) 11.183 4.478 ( 4.155 10.375 0.415) 11.183 4.780 ( -4.226 -2.791 0.131) 5.066 4.780 ( -4.226 2.791 0.131) 5.066 5.148 ( 0.194 -5.518 0.579) 5.552 5.148 ( 0.194 5.518 0.579) 5.552 5.404 ( 1.411 -1.270 1.569) 2.463 5.404 ( 1.411 1.270 1.569) 2.463 5.438 ( 2.742 -3.190 0.213) 4.212 5.438 ( 2.742 3.190 0.213) 4.212 5.702 ( -8.883 -8.082 -3.325) 12.462 5.702 ( -8.883 8.082 -3.325) 12.462 6.034 ( 2.110 -7.687 2.373) 8.317 6.034 ( 2.110 7.687 2.373) 8.317 6.364 ( -1.464 -1.736 2.714) 3.539 6.364 ( -1.464 1.736 2.714) 3.539 6.645 ( -5.340 -1.663 -4.693) 7.301 6.645 ( -5.340 1.663 -4.693) 7.301 6.842 ( 8.540 -2.827 1.452) 9.112 6.842 ( 8.540 2.827 1.452) 9.112 7.243 ( 1.066 -3.034 4.367) 5.423 7.243 ( 1.066 3.034 4.367) 5.423 7.288 ( -7.618 -1.943 -1.146) 7.945 7.288 ( -7.618 1.943 -1.146) 7.945 7.785 ( 5.144 -4.131 10.609) 12.493 7.785 ( 5.144 4.131 10.609) 12.493 7.903 ( -1.332 -2.597 -4.306) 5.202 7.903 ( -1.332 2.597 -4.306) 5.202 8.170 ( 2.572 -0.937 -2.039) 3.413 8.170 ( 2.572 0.937 -2.039) 3.413 8.617 ( -4.239 -20.748 -1.050) 21.202 8.617 ( -4.239 20.748 -1.050) 21.202 8.723 ( 12.114 -8.345 2.482) 14.918 8.723 ( 12.114 8.345 2.482) 14.918 9.575 ( 2.911 -2.876 -12.362) 13.021 9.575 ( 2.911 2.876 -12.362) 13.021 10.423 ( -3.237 -2.218 0.133) 3.926 10.423 ( -3.237 2.218 0.133) 3.926 11.309 ( -0.869 -10.511 7.721) 13.072 11.309 ( -0.869 10.511 7.721) 13.072 11.628 ( -1.302 -11.963 -5.854) 13.382 11.628 ( -1.302 11.963 -5.854) 13.382 12.580 ( -3.425 -1.280 2.187) 4.260 12.580 ( -3.425 1.280 2.187) 4.260 12.779 ( 0.376 -4.104 0.962) 4.232 12.779 ( 0.376 4.104 0.962) 4.232 13.296 ( 0.382 -2.830 -4.538) 5.362 13.296 ( 0.382 2.830 -4.538) 5.362 13.731 ( -1.258 -5.542 -0.869) 5.749 13.731 ( -1.258 5.542 -0.869) 5.749 14.311 ( -0.582 -4.753 10.212) 11.279 14.311 ( -0.582 4.753 10.212) 11.279 15.295 ( 0.990 -3.778 -5.388) 6.654 15.295 ( 0.990 3.778 -5.388) 6.654 15.920 ( 1.748 -6.608 2.978) 7.456 15.920 ( 1.748 6.608 2.978) 7.456 16.460 ( 2.082 -3.323 -3.137) 5.022 16.460 ( 2.082 3.323 -3.137) 5.022 16.981 ( 1.064 -0.927 0.325) 1.448 16.981 ( 1.064 0.927 0.325) 1.448 21.162 ( 1.709 -0.551 -1.053) 2.082 21.162 ( 1.709 0.551 -1.053) 2.082 21.714 ( -0.364 -9.037 5.390) 10.529 21.714 ( -0.364 9.037 5.390) 10.529 22.098 ( -0.079 -11.519 -8.548) 14.344 22.098 ( -0.079 11.519 -8.548) 14.344 24.226 ( -0.757 -6.007 12.694) 14.063 24.226 ( -0.757 6.007 12.694) 14.063 24.552 ( 0.098 -8.102 -9.116) 12.196 24.552 ( 0.098 8.102 -9.116) 12.196 25.710 ( -0.013 -0.911 0.153) 0.924 25.710 ( -0.013 0.911 0.153) 0.924 26.944 ( 0.242 -1.238 1.472) 1.938 26.944 ( 0.242 1.238 1.472) 1.938 27.537 ( 1.164 -3.475 3.361) 4.972 27.537 ( 1.164 3.475 3.361) 4.972 28.087 ( -0.098 -2.164 -1.198) 2.476 28.087 ( -0.098 2.164 -1.198) 2.476 28.219 ( 1.017 -4.521 -2.450) 5.242 28.219 ( 1.017 4.521 -2.450) 5.242 28.658 ( -2.797 -2.840 1.565) 4.282 28.658 ( -2.797 2.840 1.565) 4.282 29.049 ( 0.238 -6.571 -1.900) 6.844 29.049 ( 0.238 6.571 -1.900) 6.844 30.570 ( -0.374 -0.796 -0.292) 0.927 30.570 ( -0.374 0.796 -0.292) 0.927 ======================= Grid point 199 (107/108) ======================= q-point: (-0.29 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.247 ( -7.643 -3.372 1.008) 8.414 3.247 ( -7.643 3.372 1.008) 8.414 3.487 ( 2.682 -8.652 5.706) 10.706 3.487 ( 2.682 8.652 5.706) 10.706 3.692 ( -0.698 -12.040 0.492) 12.071 3.692 ( -0.698 12.040 0.492) 12.071 3.789 ( 2.009 -1.941 -0.971) 2.957 3.789 ( 2.009 1.941 -0.971) 2.957 4.261 ( -7.921 -7.484 -1.011) 10.945 4.261 ( -7.921 7.484 -1.011) 10.945 4.546 ( -0.628 -3.656 1.308) 3.934 4.546 ( -0.628 3.656 1.308) 3.934 4.652 ( -4.997 -8.830 -5.322) 11.457 4.652 ( -4.997 8.830 -5.322) 11.457 5.139 ( -1.356 -8.803 5.230) 10.329 5.139 ( -1.356 8.803 5.230) 10.329 5.405 ( -3.799 -9.575 1.784) 10.455 5.405 ( -3.799 9.575 1.784) 10.455 5.470 ( -2.848 -3.874 -6.313) 7.936 5.470 ( -2.848 3.874 -6.313) 7.936 5.587 ( 5.312 -5.276 -2.228) 7.811 5.587 ( 5.312 5.276 -2.228) 7.811 5.946 ( -6.490 -6.061 -1.626) 9.028 5.946 ( -6.490 6.061 -1.626) 9.028 6.399 ( -2.679 -5.952 -1.427) 6.681 6.399 ( -2.679 5.952 -1.427) 6.681 6.553 ( 0.693 -6.225 1.701) 6.490 6.553 ( 0.693 6.225 1.701) 6.490 6.884 ( -8.341 -4.674 3.144) 10.064 6.884 ( -8.341 4.674 3.144) 10.064 7.145 ( 0.474 -8.571 1.580) 8.729 7.145 ( 0.474 8.571 1.580) 8.729 7.369 ( 5.646 -2.774 3.563) 7.230 7.369 ( 5.646 2.774 3.563) 7.230 7.697 ( -7.696 -4.927 3.929) 9.947 7.697 ( -7.696 4.927 3.929) 9.947 8.037 ( 9.646 -2.280 3.027) 10.363 8.037 ( 9.646 2.280 3.027) 10.363 8.257 ( 7.185 -4.874 -12.546) 15.257 8.257 ( 7.185 4.874 -12.546) 15.257 8.640 ( 6.344 -17.933 1.915) 19.118 8.640 ( 6.344 17.933 1.915) 19.118 9.012 ( 13.218 -7.687 4.034) 15.814 9.012 ( 13.218 7.687 4.034) 15.814 9.644 ( 3.224 -1.757 -10.047) 10.697 9.644 ( 3.224 1.757 -10.047) 10.697 10.314 ( -7.026 -4.197 0.049) 8.185 10.314 ( -7.026 4.197 0.049) 8.185 11.269 ( -2.723 -10.245 7.313) 12.878 11.269 ( -2.723 10.245 7.313) 12.878 11.593 ( -1.961 -13.068 -5.875) 14.462 11.593 ( -1.961 13.068 -5.875) 14.462 12.467 ( -6.962 -2.004 4.439) 8.496 12.467 ( -6.962 2.004 4.439) 8.496 12.795 ( 1.541 -6.028 -0.385) 6.233 12.795 ( 1.541 6.028 -0.385) 6.233 13.278 ( -2.529 -4.646 -6.512) 8.390 13.278 ( -2.529 4.646 -6.512) 8.390 13.689 ( -2.484 -5.603 -0.455) 6.146 13.689 ( -2.484 5.603 -0.455) 6.146 14.321 ( 1.357 -5.421 12.327) 13.535 14.321 ( 1.357 5.421 12.327) 13.535 15.308 ( 0.071 -5.023 -7.388) 8.934 15.308 ( 0.071 5.023 -7.388) 8.934 15.989 ( 4.829 -5.552 3.412) 8.111 15.989 ( 4.829 5.552 3.412) 8.111 16.531 ( 4.126 -2.770 -2.476) 5.552 16.531 ( 4.126 2.770 -2.476) 5.552 17.024 ( 3.166 -1.370 0.421) 3.475 17.024 ( 3.166 1.370 0.421) 3.475 21.215 ( 3.229 -1.619 -1.601) 3.952 21.215 ( 3.229 1.619 -1.601) 3.952 21.694 ( -1.441 -10.166 4.311) 11.136 21.694 ( -1.441 10.166 4.311) 11.136 22.111 ( 1.193 -10.298 -6.553) 12.264 22.111 ( 1.193 10.298 -6.553) 12.264 24.203 ( -1.291 -5.155 12.082) 13.199 24.203 ( -1.291 5.155 12.082) 13.199 24.538 ( -1.342 -8.412 -9.722) 12.926 24.538 ( -1.342 8.412 -9.722) 12.926 25.712 ( 0.186 -0.929 0.218) 0.972 25.712 ( 0.186 0.929 0.218) 0.972 26.954 ( 0.710 -1.516 1.826) 2.477 26.954 ( 0.710 1.516 1.826) 2.477 27.568 ( 1.658 -3.211 1.830) 4.051 27.568 ( 1.658 3.211 1.830) 4.051 28.091 ( 0.878 -3.968 -2.227) 4.634 28.091 ( 0.878 3.968 -2.227) 4.634 28.257 ( 2.196 -4.694 0.616) 5.218 28.257 ( 2.196 4.694 0.616) 5.218 28.597 ( -2.576 -5.566 1.668) 6.356 28.597 ( -2.576 5.566 1.668) 6.356 29.018 ( -3.382 -7.661 -2.621) 8.775 29.018 ( -3.382 7.661 -2.621) 8.775 30.560 ( -0.526 -0.576 -0.072) 0.783 30.560 ( -0.526 0.576 -0.072) 0.783 ======================= Grid point 201 (108/108) ======================= q-point: (-0.14 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.123 ( -4.048 -0.106 5.173) 6.569 3.123 ( -4.048 0.106 5.173) 6.569 3.523 ( 1.702 -9.828 1.554) 10.094 3.523 ( 1.702 9.828 1.554) 10.094 3.676 ( -1.704 -8.305 0.901) 8.526 3.676 ( -1.704 8.305 0.901) 8.526 3.872 ( 6.097 -1.508 3.085) 6.997 3.872 ( 6.097 1.508 3.085) 6.997 4.089 ( -8.112 -5.639 -1.847) 10.051 4.089 ( -8.112 5.639 -1.847) 10.051 4.424 ( -6.873 -2.984 4.285) 8.632 4.424 ( -6.873 2.984 4.285) 8.632 4.621 ( -2.097 -0.907 -10.205) 10.458 4.621 ( -2.097 0.907 -10.205) 10.458 5.045 ( -6.251 -8.458 2.070) 10.719 5.045 ( -6.251 8.458 2.070) 10.719 5.365 ( 2.171 -0.615 3.145) 3.871 5.365 ( 2.171 0.615 3.145) 3.871 5.478 ( 1.113 -9.185 -3.766) 9.990 5.478 ( 1.113 9.185 -3.766) 9.990 5.730 ( 7.163 -3.878 -2.267) 8.455 5.730 ( 7.163 3.878 -2.267) 8.455 5.862 ( -1.439 -2.081 0.878) 2.678 5.862 ( -1.439 2.081 0.878) 2.678 6.254 ( -8.154 -4.786 -7.271) 11.928 6.254 ( -8.154 4.786 -7.271) 11.928 6.551 ( -5.881 -8.724 0.106) 10.521 6.551 ( -5.881 8.724 0.106) 10.521 6.738 ( -1.972 -1.519 5.918) 6.420 6.738 ( -1.972 1.519 5.918) 6.420 7.205 ( 4.567 -4.146 -1.014) 6.251 7.205 ( 4.567 4.146 -1.014) 6.251 7.323 ( -6.577 -12.300 12.865) 18.975 7.323 ( -6.577 12.300 12.865) 18.975 7.660 ( 0.693 -3.605 -2.196) 4.278 7.660 ( 0.693 3.605 -2.196) 4.278 8.187 ( 3.463 -4.509 -6.298) 8.485 8.187 ( 3.463 4.509 -6.298) 8.485 8.477 ( 14.599 -6.615 -6.990) 17.485 8.477 ( 14.599 6.615 -6.990) 17.485 8.802 ( 7.360 -11.514 6.668) 15.205 8.802 ( 7.360 11.514 6.668) 15.205 9.205 ( 5.331 -6.163 0.869) 8.195 9.205 ( 5.331 6.163 0.869) 8.195 9.679 ( -0.232 -1.915 -6.190) 6.484 9.679 ( -0.232 1.915 -6.190) 6.484 10.172 ( -5.790 -3.874 -1.583) 7.145 10.172 ( -5.790 3.874 -1.583) 7.145 11.217 ( -2.034 -9.767 7.282) 12.352 11.217 ( -2.034 9.767 7.282) 12.352 11.558 ( -1.160 -13.417 -5.946) 14.721 11.558 ( -1.160 13.417 -5.946) 14.721 12.341 ( -4.632 -3.774 4.056) 7.221 12.341 ( -4.632 3.774 4.056) 7.221 12.832 ( 1.650 -7.697 2.370) 8.221 12.832 ( 1.650 7.697 2.370) 8.221 13.203 ( -4.090 -4.766 -9.079) 11.040 13.203 ( -4.090 4.766 -9.079) 11.040 13.643 ( -1.812 -5.090 0.211) 5.407 13.643 ( -1.812 5.090 0.211) 5.407 14.357 ( 2.022 -5.533 12.656) 13.960 14.357 ( 2.022 5.533 12.656) 13.960 15.298 ( -0.868 -5.228 -8.480) 10.000 15.298 ( -0.868 5.228 -8.480) 10.000 16.091 ( 4.410 -4.819 3.460) 7.392 16.091 ( 4.410 4.819 3.460) 7.392 16.601 ( 2.466 -2.099 -2.118) 3.869 16.601 ( 2.466 2.099 -2.118) 3.869 17.097 ( 3.423 -1.879 0.644) 3.958 17.097 ( 3.423 1.879 0.644) 3.958 21.276 ( 2.345 -1.686 -1.404) 3.211 21.276 ( 2.345 1.686 -1.404) 3.211 21.664 ( -1.266 -8.529 3.297) 9.231 21.664 ( -1.266 8.529 3.297) 9.231 22.138 ( 1.303 -8.951 -5.523) 10.598 22.138 ( 1.303 8.951 -5.523) 10.598 24.182 ( -0.675 -4.784 12.180) 13.104 24.182 ( -0.675 4.784 12.180) 13.104 24.503 ( -1.946 -7.745 -10.248) 12.992 24.503 ( -1.946 7.745 -10.248) 12.992 25.716 ( 0.234 -0.679 0.177) 0.740 25.716 ( 0.234 0.679 0.177) 0.740 26.969 ( 0.644 -1.625 2.087) 2.723 26.969 ( 0.644 1.625 2.087) 2.723 27.595 ( 0.756 -3.548 0.768) 3.708 27.595 ( 0.756 3.548 0.768) 3.708 28.122 ( 1.697 -3.645 -2.690) 4.837 28.122 ( 1.697 3.645 -2.690) 4.837 28.295 ( 1.761 -3.506 2.987) 4.931 28.295 ( 1.761 3.506 2.987) 4.931 28.575 ( 0.514 -5.947 -0.126) 5.970 28.575 ( 0.514 5.947 -0.126) 5.970 28.919 ( -5.763 -6.792 -1.766) 9.081 28.919 ( -5.763 6.792 -1.766) 9.081 30.551 ( -0.333 -0.623 -0.094) 0.713 30.551 ( -0.333 0.623 -0.094) 0.713 =================== 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 3/33600 10.0 4757.437 5490.268 6047.680 0.000 -420.998 0.000 3/33600 20.0 895.195 772.766 735.399 0.000 21.213 0.000 3/33600 30.0 217.423 179.633 169.643 0.000 0.824 0.000 3/33600 40.0 90.071 74.027 69.909 0.000 -0.558 0.000 3/33600 50.0 49.585 41.051 38.717 0.000 -0.597 0.000 3/33600 60.0 32.269 26.957 25.380 0.000 -0.493 0.000 3/33600 70.0 23.344 19.642 18.468 0.000 -0.396 0.000 3/33600 80.0 18.119 15.321 14.394 0.000 -0.321 0.000 3/33600 90.0 14.765 12.526 11.764 0.000 -0.265 0.000 3/33600 100.0 12.458 10.595 9.949 0.000 -0.223 0.000 3/33600 110.0 10.783 9.192 8.630 0.000 -0.191 0.000 3/33600 120.0 9.516 8.132 7.634 0.000 -0.166 0.000 3/33600 130.0 8.524 7.306 6.856 0.000 -0.146 0.000 3/33600 140.0 7.726 6.646 6.233 0.000 -0.130 0.000 3/33600 150.0 7.070 6.107 5.723 0.000 -0.117 0.000 3/33600 160.0 6.521 5.658 5.299 0.000 -0.106 0.000 3/33600 170.0 6.055 5.279 4.939 0.000 -0.097 0.000 3/33600 180.0 5.653 4.954 4.630 0.000 -0.089 0.000 3/33600 190.0 5.304 4.672 4.363 0.000 -0.083 0.000 3/33600 200.0 4.997 4.425 4.128 0.000 -0.077 0.000 3/33600 210.0 4.725 4.208 3.920 0.000 -0.072 0.000 3/33600 220.0 4.482 4.013 3.735 0.000 -0.068 0.000 3/33600 230.0 4.264 3.839 3.569 0.000 -0.064 0.000 3/33600 240.0 4.067 3.682 3.418 0.000 -0.060 0.000 3/33600 250.0 3.888 3.539 3.282 0.000 -0.057 0.000 3/33600 260.0 3.725 3.408 3.157 0.000 -0.054 0.000 3/33600 270.0 3.576 3.288 3.042 0.000 -0.052 0.000 3/33600 280.0 3.439 3.178 2.937 0.000 -0.050 0.000 3/33600 290.0 3.312 3.075 2.839 0.000 -0.047 0.000 3/33600 300.0 3.194 2.980 2.748 0.000 -0.046 0.000 3/33600 310.0 3.085 2.891 2.664 0.000 -0.044 0.000 3/33600 320.0 2.984 2.808 2.584 0.000 -0.042 0.000 3/33600 330.0 2.889 2.731 2.510 0.000 -0.041 0.000 3/33600 340.0 2.800 2.657 2.441 0.000 -0.039 0.000 3/33600 350.0 2.717 2.588 2.375 0.000 -0.038 0.000 3/33600 360.0 2.639 2.523 2.313 0.000 -0.037 0.000 3/33600 370.0 2.565 2.462 2.255 0.000 -0.036 0.000 3/33600 380.0 2.495 2.403 2.199 0.000 -0.034 0.000 3/33600 390.0 2.430 2.348 2.147 0.000 -0.033 0.000 3/33600 400.0 2.367 2.295 2.096 0.000 -0.032 0.000 3/33600 410.0 2.308 2.244 2.049 0.000 -0.032 0.000 3/33600 420.0 2.252 2.196 2.003 0.000 -0.031 0.000 3/33600 430.0 2.199 2.150 1.960 0.000 -0.030 0.000 3/33600 440.0 2.148 2.106 1.918 0.000 -0.029 0.000 3/33600 450.0 2.099 2.064 1.879 0.000 -0.028 0.000 3/33600 460.0 2.053 2.023 1.841 0.000 -0.028 0.000 3/33600 470.0 2.009 1.984 1.804 0.000 -0.027 0.000 3/33600 480.0 1.966 1.947 1.769 0.000 -0.026 0.000 3/33600 490.0 1.926 1.911 1.735 0.000 -0.026 0.000 3/33600 500.0 1.887 1.876 1.703 0.000 -0.025 0.000 3/33600 510.0 1.849 1.843 1.672 0.000 -0.025 0.000 3/33600 520.0 1.814 1.810 1.641 0.000 -0.024 0.000 3/33600 530.0 1.779 1.779 1.612 0.000 -0.024 0.000 3/33600 540.0 1.746 1.749 1.584 0.000 -0.023 0.000 3/33600 550.0 1.714 1.720 1.557 0.000 -0.023 0.000 3/33600 560.0 1.683 1.692 1.531 0.000 -0.022 0.000 3/33600 570.0 1.654 1.665 1.506 0.000 -0.022 0.000 3/33600 580.0 1.625 1.639 1.482 0.000 -0.022 0.000 3/33600 590.0 1.597 1.613 1.458 0.000 -0.021 0.000 3/33600 600.0 1.571 1.588 1.435 0.000 -0.021 0.000 3/33600 610.0 1.545 1.564 1.413 0.000 -0.020 0.000 3/33600 620.0 1.520 1.541 1.391 0.000 -0.020 0.000 3/33600 630.0 1.496 1.519 1.370 0.000 -0.020 0.000 3/33600 640.0 1.472 1.497 1.350 0.000 -0.019 0.000 3/33600 650.0 1.450 1.475 1.331 0.000 -0.019 0.000 3/33600 660.0 1.428 1.455 1.311 0.000 -0.019 0.000 3/33600 670.0 1.406 1.434 1.293 0.000 -0.018 0.000 3/33600 680.0 1.386 1.415 1.275 0.000 -0.018 0.000 3/33600 690.0 1.366 1.396 1.257 0.000 -0.018 0.000 3/33600 700.0 1.346 1.377 1.240 0.000 -0.018 0.000 3/33600 710.0 1.327 1.359 1.223 0.000 -0.017 0.000 3/33600 720.0 1.309 1.341 1.207 0.000 -0.017 0.000 3/33600 730.0 1.291 1.324 1.192 0.000 -0.017 0.000 3/33600 740.0 1.273 1.307 1.176 0.000 -0.017 0.000 3/33600 750.0 1.256 1.291 1.161 0.000 -0.016 0.000 3/33600 760.0 1.240 1.275 1.147 0.000 -0.016 0.000 3/33600 770.0 1.224 1.259 1.132 0.000 -0.016 0.000 3/33600 780.0 1.208 1.244 1.118 0.000 -0.016 0.000 3/33600 790.0 1.193 1.229 1.105 0.000 -0.016 0.000 3/33600 800.0 1.178 1.215 1.092 0.000 -0.015 0.000 3/33600 810.0 1.164 1.201 1.079 0.000 -0.015 0.000 3/33600 820.0 1.149 1.187 1.066 0.000 -0.015 0.000 3/33600 830.0 1.136 1.173 1.054 0.000 -0.015 0.000 3/33600 840.0 1.122 1.160 1.042 0.000 -0.015 0.000 3/33600 850.0 1.109 1.147 1.030 0.000 -0.014 0.000 3/33600 860.0 1.096 1.135 1.018 0.000 -0.014 0.000 3/33600 870.0 1.083 1.122 1.007 0.000 -0.014 0.000 3/33600 880.0 1.071 1.110 0.996 0.000 -0.014 0.000 3/33600 890.0 1.059 1.098 0.985 0.000 -0.014 0.000 3/33600 900.0 1.047 1.087 0.975 0.000 -0.014 0.000 3/33600 910.0 1.036 1.075 0.964 0.000 -0.013 0.000 3/33600 920.0 1.025 1.064 0.954 0.000 -0.013 0.000 3/33600 930.0 1.014 1.053 0.944 0.000 -0.013 0.000 3/33600 940.0 1.003 1.042 0.934 0.000 -0.013 0.000 3/33600 950.0 0.992 1.032 0.925 0.000 -0.013 0.000 3/33600 960.0 0.982 1.022 0.916 0.000 -0.013 0.000 3/33600 970.0 0.972 1.012 0.906 0.000 -0.013 0.000 3/33600 980.0 0.962 1.002 0.897 0.000 -0.012 0.000 3/33600 990.0 0.952 0.992 0.889 0.000 -0.012 0.000 3/33600 1000.0 0.943 0.982 0.880 0.000 -0.012 0.000 3/33600 Thermal conductivity related properties were written into "kappa-m7105.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:14:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|