----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:03:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4/m (87) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -6.820126595000000 6.820126595000000 2.830023165000000 b 6.820126595000000 -6.820126595000000 2.830023165000000 c 6.820126595000000 6.820126595000000 -2.830023165000000 Atomic positions (fractional): *1 O 0.49397976074324 0.90016639427700 0.89017421538796 15.999 2 O 0.60380554535528 0.49397976074324 0.59381336646624 15.999 3 O 0.90016639427700 0.00999217888904 0.40618663353376 15.999 4 O 0.00999217888904 0.60380554535528 0.10982578461204 15.999 5 O 0.50602023925676 0.09983360572300 0.10982578461204 15.999 6 O 0.39619445464473 0.50602023925676 0.40618663353376 15.999 7 O 0.09983360572300 0.99000782111096 0.59381336646624 15.999 8 O 0.99000782111096 0.39619445464472 0.89017421538796 15.999 *9 O 0.29855795134988 0.07294947183791 0.87097993351253 15.999 10 O 0.42757801783735 0.29855795134988 0.22560847951197 15.999 11 O 0.07294947183791 0.20196953832538 0.77439152048803 15.999 12 O 0.20196953832538 0.42757801783735 0.12902006648747 15.999 13 O 0.70144204865012 0.92705052816209 0.12902006648747 15.999 14 O 0.57242198216265 0.70144204865012 0.77439152048803 15.999 15 O 0.92705052816209 0.79803046167462 0.22560847951197 15.999 16 O 0.79803046167462 0.57242198216265 0.87097993351253 15.999 *17 O 0.03842187447838 0.62862175694491 0.66704363142330 15.999 *18 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 19 O 0.96157812552162 0.37137824305509 0.33295636857670 15.999 20 O 0.62862175694491 0.96157812552162 0.59019988246653 15.999 21 O 0.37137824305509 0.03842187447838 0.40980011753347 15.999 *22 Zn 0.74986164162838 0.04044795361337 0.79030959524175 65.380 23 Zn 0.95955204638663 0.74986164162838 0.70941368801502 65.380 24 Zn 0.04044795361337 0.25013835837162 0.29058631198498 65.380 25 Zn 0.25013835837162 0.95955204638663 0.20969040475825 65.380 *26 Ba 0.86022281908753 0.53593427037784 0.39615708946537 137.327 27 Ba 0.46406572962216 0.86022281908753 0.32428854870970 137.327 28 Ba 0.53593427037784 0.13977718091247 0.67571145129030 137.327 29 Ba 0.13977718091247 0.46406572962216 0.60384291053463 137.327 *30 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 *31 Ho 0.64266952746231 0.41195217211434 0.05462169957666 164.930 32 Ho 0.58804782788566 0.64266952746231 0.23071735534797 164.930 33 Ho 0.41195217211434 0.35733047253769 0.76928264465203 164.930 34 Ho 0.35733047253769 0.58804782788566 0.94537830042334 164.930 *35 Ho 0.83214257894620 0.24719540105241 0.07933797999861 164.930 36 Ho 0.75280459894759 0.83214257894620 0.58494717789379 164.930 37 Ho 0.24719540105241 0.16785742105380 0.41505282210621 164.930 38 Ho 0.16785742105380 0.75280459894759 0.92066202000139 164.930 -------------------------------- unit cell --------------------------------- Lattice vectors: a 13.640253189999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.640253189999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.660046330000000 Atomic positions (fractional): *1 O 0.64818042446086 0.24199379092710 0.25198596981614 15.999 > 1 2 O 0.74199379092710 0.85181957553914 0.75198596981614 15.999 > 2 3 O 0.25800620907290 0.14818042446086 0.75198596981614 15.999 > 3 4 O 0.35181957553914 0.75800620907290 0.25198596981614 15.999 > 4 5 O 0.35181957553914 0.75800620907290 0.74801403018386 15.999 > 5 6 O 0.25800620907290 0.14818042446086 0.24801403018386 15.999 > 6 7 O 0.74199379092710 0.85181957553914 0.24801403018386 15.999 > 7 8 O 0.64818042446086 0.24199379092710 0.74801403018386 15.999 > 8 *9 O 0.82268572700028 0.04829420651225 0.25026374483763 15.999 > 9 10 O 0.54829420651225 0.67731427299972 0.75026374483763 15.999 > 10 11 O 0.45170579348775 0.32268572700028 0.75026374483763 15.999 > 11 12 O 0.17731427299972 0.95170579348775 0.25026374483763 15.999 > 12 13 O 0.17731427299972 0.95170579348775 0.74973625516237 15.999 > 13 14 O 0.45170579348775 0.32268572700028 0.24973625516237 15.999 > 14 15 O 0.54829420651225 0.67731427299972 0.24973625516237 15.999 > 15 16 O 0.82268572700028 0.04829420651225 0.74973625516237 15.999 > 16 *17 O 0.62862175694491 0.03842187447838 0.00000000000000 15.999 > 17 *18 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 18 19 O 0.37137824305509 0.96157812552162 0.00000000000000 15.999 > 19 20 O 0.46157812552162 0.12862175694491 0.50000000000000 15.999 > 20 21 O 0.53842187447838 0.87137824305509 0.50000000000000 15.999 > 21 22 O 0.14818042446086 0.74199379092710 0.75198596981614 15.999 > 1 23 O 0.24199379092710 0.35181957553914 0.25198596981614 15.999 > 2 24 O 0.75800620907290 0.64818042446086 0.25198596981614 15.999 > 3 25 O 0.85181957553914 0.25800620907290 0.75198596981614 15.999 > 4 26 O 0.85181957553914 0.25800620907290 0.24801403018386 15.999 > 5 27 O 0.75800620907290 0.64818042446086 0.74801403018386 15.999 > 6 28 O 0.24199379092710 0.35181957553914 0.74801403018386 15.999 > 7 29 O 0.14818042446086 0.74199379092710 0.24801403018386 15.999 > 8 30 O 0.32268572700028 0.54829420651225 0.75026374483763 15.999 > 9 31 O 0.04829420651225 0.17731427299972 0.25026374483763 15.999 > 10 32 O 0.95170579348775 0.82268572700028 0.25026374483763 15.999 > 11 33 O 0.67731427299972 0.45170579348775 0.75026374483763 15.999 > 12 34 O 0.67731427299972 0.45170579348775 0.24973625516237 15.999 > 13 35 O 0.95170579348775 0.82268572700028 0.74973625516237 15.999 > 14 36 O 0.04829420651225 0.17731427299972 0.74973625516237 15.999 > 15 37 O 0.32268572700028 0.54829420651225 0.24973625516237 15.999 > 16 38 O 0.12862175694491 0.53842187447838 0.50000000000000 15.999 > 17 39 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 18 40 O 0.87137824305509 0.46157812552162 0.50000000000000 15.999 > 19 41 O 0.96157812552162 0.62862175694491 0.00000000000000 15.999 > 20 42 O 0.03842187447838 0.37137824305509 0.00000000000000 15.999 > 21 *43 Zn 0.54044795361337 0.24986164162839 0.50000000000000 65.380 > 22 44 Zn 0.74986164162838 0.95955204638663 0.00000000000000 65.380 > 23 45 Zn 0.25013835837162 0.04044795361337 0.00000000000000 65.380 > 24 46 Zn 0.45955204638663 0.75013835837162 0.50000000000000 65.380 > 25 47 Zn 0.04044795361337 0.74986164162838 0.00000000000000 65.380 > 22 48 Zn 0.24986164162839 0.45955204638663 0.50000000000000 65.380 > 23 49 Zn 0.75013835837162 0.54044795361337 0.50000000000000 65.380 > 24 50 Zn 0.95955204638663 0.25013835837162 0.00000000000000 65.380 > 25 *51 Ba 0.53593427037784 0.86022281908753 0.00000000000000 137.327 > 26 52 Ba 0.36022281908753 0.96406572962216 0.50000000000000 137.327 > 27 53 Ba 0.63977718091247 0.03593427037784 0.50000000000000 137.327 > 28 54 Ba 0.46406572962216 0.13977718091247 0.00000000000000 137.327 > 29 *55 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 30 56 Ba 0.03593427037784 0.36022281908753 0.50000000000000 137.327 > 26 57 Ba 0.86022281908753 0.46406572962216 0.00000000000000 137.327 > 27 58 Ba 0.13977718091247 0.53593427037784 0.00000000000000 137.327 > 28 59 Ba 0.96406572962216 0.63977718091247 0.50000000000000 137.327 > 29 60 Ba 0.50000000000000 0.50000000000000 0.50000000000000 137.327 > 30 *61 Ho 0.41195217211434 0.64266952746231 0.00000000000000 164.930 > 31 62 Ho 0.14266952746232 0.08804782788566 0.50000000000000 164.930 > 32 63 Ho 0.85733047253769 0.91195217211434 0.50000000000000 164.930 > 33 64 Ho 0.58804782788566 0.35733047253769 0.00000000000000 164.930 > 34 *65 Ho 0.24719540105241 0.83214257894620 0.00000000000000 164.930 > 35 66 Ho 0.33214257894620 0.25280459894759 0.50000000000000 164.930 > 36 67 Ho 0.66785742105380 0.74719540105241 0.50000000000000 164.930 > 37 68 Ho 0.75280459894759 0.16785742105380 0.00000000000000 164.930 > 38 69 Ho 0.91195217211434 0.14266952746232 0.50000000000000 164.930 > 31 70 Ho 0.64266952746231 0.58804782788566 0.00000000000000 164.930 > 32 71 Ho 0.35733047253769 0.41195217211434 0.00000000000000 164.930 > 33 72 Ho 0.08804782788566 0.85733047253769 0.50000000000000 164.930 > 34 73 Ho 0.74719540105241 0.33214257894620 0.50000000000000 164.930 > 35 74 Ho 0.83214257894620 0.75280459894759 0.00000000000000 164.930 > 36 75 Ho 0.16785742105380 0.24719540105241 0.00000000000000 164.930 > 37 76 Ho 0.25280459894759 0.66785742105380 0.50000000000000 164.930 > 38 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.640253189999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.640253189999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.660046330000000 Atomic positions (fractional): *1 O 0.64818042446086 0.24199379092710 0.25198596981614 15.999 > 1 2 O 0.74199379092710 0.85181957553914 0.75198596981614 15.999 > 2 3 O 0.25800620907290 0.14818042446086 0.75198596981614 15.999 > 3 4 O 0.35181957553914 0.75800620907290 0.25198596981614 15.999 > 4 5 O 0.35181957553914 0.75800620907290 0.74801403018386 15.999 > 5 6 O 0.25800620907290 0.14818042446086 0.24801403018386 15.999 > 6 7 O 0.74199379092710 0.85181957553914 0.24801403018386 15.999 > 7 8 O 0.64818042446086 0.24199379092710 0.74801403018386 15.999 > 8 *9 O 0.82268572700028 0.04829420651225 0.25026374483763 15.999 > 9 10 O 0.54829420651225 0.67731427299972 0.75026374483763 15.999 > 10 11 O 0.45170579348775 0.32268572700028 0.75026374483763 15.999 > 11 12 O 0.17731427299972 0.95170579348775 0.25026374483763 15.999 > 12 13 O 0.17731427299972 0.95170579348775 0.74973625516237 15.999 > 13 14 O 0.45170579348775 0.32268572700028 0.24973625516237 15.999 > 14 15 O 0.54829420651225 0.67731427299972 0.24973625516237 15.999 > 15 16 O 0.82268572700028 0.04829420651225 0.74973625516237 15.999 > 16 *17 O 0.62862175694491 0.03842187447838 0.00000000000000 15.999 > 17 *18 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 18 19 O 0.37137824305509 0.96157812552162 0.00000000000000 15.999 > 19 20 O 0.46157812552162 0.12862175694491 0.50000000000000 15.999 > 20 21 O 0.53842187447838 0.87137824305509 0.50000000000000 15.999 > 21 22 O 0.14818042446086 0.74199379092710 0.75198596981614 15.999 > 1 23 O 0.24199379092710 0.35181957553914 0.25198596981614 15.999 > 2 24 O 0.75800620907290 0.64818042446086 0.25198596981614 15.999 > 3 25 O 0.85181957553914 0.25800620907290 0.75198596981614 15.999 > 4 26 O 0.85181957553914 0.25800620907290 0.24801403018386 15.999 > 5 27 O 0.75800620907290 0.64818042446086 0.74801403018386 15.999 > 6 28 O 0.24199379092710 0.35181957553914 0.74801403018386 15.999 > 7 29 O 0.14818042446086 0.74199379092710 0.24801403018386 15.999 > 8 30 O 0.32268572700028 0.54829420651225 0.75026374483763 15.999 > 9 31 O 0.04829420651225 0.17731427299972 0.25026374483763 15.999 > 10 32 O 0.95170579348775 0.82268572700028 0.25026374483763 15.999 > 11 33 O 0.67731427299972 0.45170579348775 0.75026374483763 15.999 > 12 34 O 0.67731427299972 0.45170579348775 0.24973625516237 15.999 > 13 35 O 0.95170579348775 0.82268572700028 0.74973625516237 15.999 > 14 36 O 0.04829420651225 0.17731427299972 0.74973625516237 15.999 > 15 37 O 0.32268572700028 0.54829420651225 0.24973625516237 15.999 > 16 38 O 0.12862175694491 0.53842187447838 0.50000000000000 15.999 > 17 39 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 18 40 O 0.87137824305509 0.46157812552162 0.50000000000000 15.999 > 19 41 O 0.96157812552162 0.62862175694491 0.00000000000000 15.999 > 20 42 O 0.03842187447838 0.37137824305509 0.00000000000000 15.999 > 21 *43 Zn 0.54044795361337 0.24986164162839 0.50000000000000 65.380 > 22 44 Zn 0.74986164162838 0.95955204638663 0.00000000000000 65.380 > 23 45 Zn 0.25013835837162 0.04044795361337 0.00000000000000 65.380 > 24 46 Zn 0.45955204638663 0.75013835837162 0.50000000000000 65.380 > 25 47 Zn 0.04044795361337 0.74986164162838 0.00000000000000 65.380 > 22 48 Zn 0.24986164162839 0.45955204638663 0.50000000000000 65.380 > 23 49 Zn 0.75013835837162 0.54044795361337 0.50000000000000 65.380 > 24 50 Zn 0.95955204638663 0.25013835837162 0.00000000000000 65.380 > 25 *51 Ba 0.53593427037784 0.86022281908753 0.00000000000000 137.327 > 26 52 Ba 0.36022281908753 0.96406572962216 0.50000000000000 137.327 > 27 53 Ba 0.63977718091247 0.03593427037784 0.50000000000000 137.327 > 28 54 Ba 0.46406572962216 0.13977718091247 0.00000000000000 137.327 > 29 *55 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 30 56 Ba 0.03593427037784 0.36022281908753 0.50000000000000 137.327 > 26 57 Ba 0.86022281908753 0.46406572962216 0.00000000000000 137.327 > 27 58 Ba 0.13977718091247 0.53593427037784 0.00000000000000 137.327 > 28 59 Ba 0.96406572962216 0.63977718091247 0.50000000000000 137.327 > 29 60 Ba 0.50000000000000 0.50000000000000 0.50000000000000 137.327 > 30 *61 Ho 0.41195217211434 0.64266952746231 0.00000000000000 164.930 > 31 62 Ho 0.14266952746232 0.08804782788566 0.50000000000000 164.930 > 32 63 Ho 0.85733047253769 0.91195217211434 0.50000000000000 164.930 > 33 64 Ho 0.58804782788566 0.35733047253769 0.00000000000000 164.930 > 34 *65 Ho 0.24719540105241 0.83214257894620 0.00000000000000 164.930 > 35 66 Ho 0.33214257894620 0.25280459894759 0.50000000000000 164.930 > 36 67 Ho 0.66785742105380 0.74719540105241 0.50000000000000 164.930 > 37 68 Ho 0.75280459894759 0.16785742105380 0.00000000000000 164.930 > 38 69 Ho 0.91195217211434 0.14266952746232 0.50000000000000 164.930 > 31 70 Ho 0.64266952746231 0.58804782788566 0.00000000000000 164.930 > 32 71 Ho 0.35733047253769 0.41195217211434 0.00000000000000 164.930 > 33 72 Ho 0.08804782788566 0.85733047253769 0.50000000000000 164.930 > 34 73 Ho 0.74719540105241 0.33214257894620 0.50000000000000 164.930 > 35 74 Ho 0.83214257894620 0.75280459894759 0.00000000000000 164.930 > 36 75 Ho 0.16785742105380 0.24719540105241 0.00000000000000 164.930 > 37 76 Ho 0.25280459894759 0.66785742105380 0.50000000000000 164.930 > 38 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5885874 0.0000015 0.0000000 -0.0000015 4.5885874 0.0000000 0.0000000 0.0000000 4.9075352 -------------------------- Born effective charges -------------------------- 1 O -2.4417850 0.2089908 0.0914665 0.2569355 -2.2402975 -0.1026352 0.1528746 -0.1621345 -2.5978762 2 O -2.2402975 -0.2569355 -0.1026352 -0.2089908 -2.4417850 -0.0914665 -0.1621345 -0.1528746 -2.5978762 3 O -2.2402975 -0.2569355 0.1026352 -0.2089908 -2.4417850 0.0914665 0.1621345 0.1528746 -2.5978762 4 O -2.4417850 0.2089908 -0.0914665 0.2569355 -2.2402975 0.1026352 -0.1528746 0.1621345 -2.5978762 5 O -2.4417850 0.2089908 0.0914665 0.2569355 -2.2402975 -0.1026352 0.1528746 -0.1621345 -2.5978762 6 O -2.2402975 -0.2569355 -0.1026352 -0.2089908 -2.4417850 -0.0914665 -0.1621345 -0.1528746 -2.5978762 7 O -2.2402975 -0.2569355 0.1026352 -0.2089908 -2.4417850 0.0914665 0.1621345 0.1528746 -2.5978762 8 O -2.4417850 0.2089908 -0.0914665 0.2569355 -2.2402975 0.1026352 -0.1528746 0.1621345 -2.5978762 9 O -2.2916801 -0.0284134 -0.4974184 -0.0909243 -2.5615919 0.0997526 -0.5095244 0.1295076 -2.7390520 10 O -2.5615919 0.0909243 0.0997526 0.0284134 -2.2916801 0.4974184 0.1295076 0.5095244 -2.7390520 11 O -2.5615919 0.0909243 -0.0997526 0.0284134 -2.2916801 -0.4974184 -0.1295076 -0.5095244 -2.7390520 12 O -2.2916801 -0.0284134 0.4974184 -0.0909243 -2.5615919 -0.0997526 0.5095244 -0.1295076 -2.7390520 13 O -2.2916801 -0.0284134 -0.4974184 -0.0909243 -2.5615919 0.0997526 -0.5095244 0.1295076 -2.7390520 14 O -2.5615919 0.0909243 0.0997526 0.0284134 -2.2916801 0.4974184 0.1295076 0.5095244 -2.7390520 15 O -2.5615919 0.0909243 -0.0997526 0.0284134 -2.2916801 -0.4974184 -0.1295076 -0.5095244 -2.7390520 16 O -2.2916801 -0.0284134 0.4974184 -0.0909243 -2.5615919 -0.0997526 0.5095244 -0.1295076 -2.7390520 17 O -2.6863882 0.0237448 -0.0000000 0.0183816 -2.5265653 -0.0000000 0.0000000 -0.0000000 -2.3698459 18 O -2.9560730 0.0222464 -0.0000000 -0.0222464 -2.9560730 -0.0000000 0.0000000 -0.0000000 -2.1263647 19 O -2.6863882 0.0237448 -0.0000000 0.0183816 -2.5265653 -0.0000000 0.0000000 -0.0000000 -2.3698459 20 O -2.5265653 -0.0183816 -0.0000000 -0.0237448 -2.6863882 -0.0000000 0.0000000 -0.0000000 -2.3698459 21 O -2.5265653 -0.0183816 -0.0000000 -0.0237448 -2.6863882 -0.0000000 0.0000000 -0.0000000 -2.3698459 22 Zn 2.2093984 -0.1416702 -0.0000000 -0.1270667 1.6571519 -0.0000000 0.0000000 -0.0000000 2.4352310 23 Zn 1.6571519 0.1270667 -0.0000000 0.1416702 2.2093984 -0.0000000 0.0000000 -0.0000000 2.4352310 24 Zn 1.6571519 0.1270667 -0.0000000 0.1416702 2.2093984 -0.0000000 0.0000000 -0.0000000 2.4352310 25 Zn 2.2093984 -0.1416702 -0.0000000 -0.1270667 1.6571519 -0.0000000 0.0000000 -0.0000000 2.4352310 26 Ba 2.8054312 0.0545576 -0.0000000 -0.0277312 2.7378326 -0.0000000 0.0000000 -0.0000000 2.6166746 27 Ba 2.7378326 0.0277312 -0.0000000 -0.0545576 2.8054312 -0.0000000 0.0000000 -0.0000000 2.6166746 28 Ba 2.7378326 0.0277312 -0.0000000 -0.0545576 2.8054312 -0.0000000 0.0000000 -0.0000000 2.6166746 29 Ba 2.8054312 0.0545576 -0.0000000 -0.0277312 2.7378326 -0.0000000 0.0000000 -0.0000000 2.6166746 30 Ba 2.6692299 0.0190616 -0.0000000 -0.0190616 2.6692299 -0.0000000 0.0000000 -0.0000000 3.0432483 31 Ho 3.5569528 0.0125543 -0.0000000 0.1079832 3.8981760 -0.0000000 0.0000000 -0.0000000 3.8819678 32 Ho 3.8981760 -0.1079832 -0.0000000 -0.0125543 3.5569528 -0.0000000 0.0000000 -0.0000000 3.8819678 33 Ho 3.8981760 -0.1079832 -0.0000000 -0.0125543 3.5569528 -0.0000000 0.0000000 -0.0000000 3.8819678 34 Ho 3.5569528 0.0125543 -0.0000000 0.1079832 3.8981760 -0.0000000 0.0000000 -0.0000000 3.8819678 35 Ho 3.7363446 -0.2192713 -0.0000000 -0.1918650 3.8257965 -0.0000000 0.0000000 -0.0000000 3.8806079 36 Ho 3.8257965 0.1918650 -0.0000000 0.2192713 3.7363446 -0.0000000 0.0000000 -0.0000000 3.8806079 37 Ho 3.8257965 0.1918650 -0.0000000 0.2192713 3.7363446 -0.0000000 0.0000000 -0.0000000 3.8806079 38 Ho 3.7363446 -0.2192713 -0.0000000 -0.1918650 3.8257965 -0.0000000 0.0000000 -0.0000000 3.8806079 ---------------------------------------------------------------------------- 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: 228/228 Permutation basis: 15396/15396 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1748 Number of blocks in projector: 1748 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 522 Use submatrix version of eigh solver. (1) Block: 522 / 522 (2) Block: 250 / 522 (2) 234 eigenvectors found. (2) Block: 522 / 522 (2) 258 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 506 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 4 --- Block_size: 482 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 264 Use standard eigh solver. Tree of FC basis block matrices: - (1748, 1700), data: False |-- (264, 255), data: True |-- (480, 472), data: True |-- (482, 467), data: True |-- (522, 506), data: False |-- (522, 506), data: False |-- (522, 14), data: (522, 30) @ (30, 14) |-- (272, 258), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 76 / 76 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 1.767 Solver_block: 200 / 640 - Time: 1.771 Solver_block: 300 / 640 - Time: 1.767 Solver_block: 400 / 640 - Time: 1.767 Solver_block: 500 / 640 - Time: 1.767 Solver_block: 600 / 640 - Time: 1.772 Solver_block: 640 / 640 - Time: 0.769 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 11.423 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 228/228 Permutation basis: 15396/15396 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1748 Number of blocks in projector: 1748 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 522 Use submatrix version of eigh solver. (1) Block: 522 / 522 (2) Block: 250 / 522 (2) 234 eigenvectors found. (2) Block: 522 / 522 (2) 258 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 506 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 4 --- Block_size: 482 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 264 Use standard eigh solver. Tree of FC basis block matrices: - (1748, 1700), data: False |-- (264, 255), data: True |-- (480, 472), data: True |-- (482, 467), data: True |-- (522, 506), data: False |-- (522, 506), data: False |-- (522, 14), data: (522, 30) @ (30, 14) |-- (272, 258), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:03:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:03:49]------------------------- 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): [1 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4/m (87) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -6.820126595000000 6.820126595000000 2.830023165000000 b 6.820126595000000 -6.820126595000000 2.830023165000000 c 6.820126595000000 6.820126595000000 -2.830023165000000 Atomic positions (fractional): 1 O 0.49397976074324 0.90016639427700 0.89017421538796 15.999 2 O 0.60380554535528 0.49397976074324 0.59381336646624 15.999 3 O 0.90016639427700 0.00999217888904 0.40618663353376 15.999 4 O 0.00999217888904 0.60380554535528 0.10982578461204 15.999 5 O 0.50602023925676 0.09983360572300 0.10982578461204 15.999 6 O 0.39619445464473 0.50602023925676 0.40618663353376 15.999 7 O 0.09983360572300 0.99000782111096 0.59381336646624 15.999 8 O 0.99000782111096 0.39619445464472 0.89017421538796 15.999 9 O 0.29855795134988 0.07294947183791 0.87097993351253 15.999 10 O 0.42757801783735 0.29855795134988 0.22560847951197 15.999 11 O 0.07294947183791 0.20196953832538 0.77439152048803 15.999 12 O 0.20196953832538 0.42757801783735 0.12902006648747 15.999 13 O 0.70144204865012 0.92705052816209 0.12902006648747 15.999 14 O 0.57242198216265 0.70144204865012 0.77439152048803 15.999 15 O 0.92705052816209 0.79803046167462 0.22560847951197 15.999 16 O 0.79803046167462 0.57242198216265 0.87097993351253 15.999 17 O 0.03842187447838 0.62862175694491 0.66704363142330 15.999 18 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 19 O 0.96157812552162 0.37137824305509 0.33295636857670 15.999 20 O 0.62862175694491 0.96157812552162 0.59019988246653 15.999 21 O 0.37137824305509 0.03842187447838 0.40980011753347 15.999 22 Zn 0.74986164162838 0.04044795361337 0.79030959524175 65.380 23 Zn 0.95955204638663 0.74986164162838 0.70941368801502 65.380 24 Zn 0.04044795361337 0.25013835837162 0.29058631198498 65.380 25 Zn 0.25013835837162 0.95955204638663 0.20969040475825 65.380 26 Ba 0.86022281908753 0.53593427037784 0.39615708946537 137.327 27 Ba 0.46406572962216 0.86022281908753 0.32428854870970 137.327 28 Ba 0.53593427037784 0.13977718091247 0.67571145129030 137.327 29 Ba 0.13977718091247 0.46406572962216 0.60384291053463 137.327 30 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 31 Ho 0.64266952746231 0.41195217211434 0.05462169957666 164.930 32 Ho 0.58804782788566 0.64266952746231 0.23071735534797 164.930 33 Ho 0.41195217211434 0.35733047253769 0.76928264465203 164.930 34 Ho 0.35733047253769 0.58804782788566 0.94537830042334 164.930 35 Ho 0.83214257894620 0.24719540105241 0.07933797999861 164.930 36 Ho 0.75280459894759 0.83214257894620 0.58494717789379 164.930 37 Ho 0.24719540105241 0.16785742105380 0.41505282210621 164.930 38 Ho 0.16785742105380 0.75280459894759 0.92066202000139 164.930 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.640253189999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.640253189999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.660046330000000 Atomic positions (fractional): 1 O 0.64818042446086 0.24199379092710 0.25198596981614 15.999 > 1 2 O 0.74199379092710 0.85181957553914 0.75198596981614 15.999 > 2 3 O 0.25800620907290 0.14818042446086 0.75198596981614 15.999 > 3 4 O 0.35181957553914 0.75800620907290 0.25198596981614 15.999 > 4 5 O 0.35181957553914 0.75800620907290 0.74801403018386 15.999 > 5 6 O 0.25800620907290 0.14818042446086 0.24801403018386 15.999 > 6 7 O 0.74199379092710 0.85181957553914 0.24801403018386 15.999 > 7 8 O 0.64818042446086 0.24199379092710 0.74801403018386 15.999 > 8 9 O 0.82268572700028 0.04829420651225 0.25026374483763 15.999 > 9 10 O 0.54829420651225 0.67731427299972 0.75026374483763 15.999 > 10 11 O 0.45170579348775 0.32268572700028 0.75026374483763 15.999 > 11 12 O 0.17731427299972 0.95170579348775 0.25026374483763 15.999 > 12 13 O 0.17731427299972 0.95170579348775 0.74973625516237 15.999 > 13 14 O 0.45170579348775 0.32268572700028 0.24973625516237 15.999 > 14 15 O 0.54829420651225 0.67731427299972 0.24973625516237 15.999 > 15 16 O 0.82268572700028 0.04829420651225 0.74973625516237 15.999 > 16 17 O 0.62862175694491 0.03842187447838 0.00000000000000 15.999 > 17 18 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 18 19 O 0.37137824305509 0.96157812552162 0.00000000000000 15.999 > 19 20 O 0.46157812552162 0.12862175694491 0.50000000000000 15.999 > 20 21 O 0.53842187447838 0.87137824305509 0.50000000000000 15.999 > 21 22 O 0.14818042446086 0.74199379092710 0.75198596981614 15.999 > 1 23 O 0.24199379092710 0.35181957553914 0.25198596981614 15.999 > 2 24 O 0.75800620907290 0.64818042446086 0.25198596981614 15.999 > 3 25 O 0.85181957553914 0.25800620907290 0.75198596981614 15.999 > 4 26 O 0.85181957553914 0.25800620907290 0.24801403018386 15.999 > 5 27 O 0.75800620907290 0.64818042446086 0.74801403018386 15.999 > 6 28 O 0.24199379092710 0.35181957553914 0.74801403018386 15.999 > 7 29 O 0.14818042446086 0.74199379092710 0.24801403018386 15.999 > 8 30 O 0.32268572700028 0.54829420651225 0.75026374483763 15.999 > 9 31 O 0.04829420651225 0.17731427299972 0.25026374483763 15.999 > 10 32 O 0.95170579348775 0.82268572700028 0.25026374483763 15.999 > 11 33 O 0.67731427299972 0.45170579348775 0.75026374483763 15.999 > 12 34 O 0.67731427299972 0.45170579348775 0.24973625516237 15.999 > 13 35 O 0.95170579348775 0.82268572700028 0.74973625516237 15.999 > 14 36 O 0.04829420651225 0.17731427299972 0.74973625516237 15.999 > 15 37 O 0.32268572700028 0.54829420651225 0.24973625516237 15.999 > 16 38 O 0.12862175694491 0.53842187447838 0.50000000000000 15.999 > 17 39 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 18 40 O 0.87137824305509 0.46157812552162 0.50000000000000 15.999 > 19 41 O 0.96157812552162 0.62862175694491 0.00000000000000 15.999 > 20 42 O 0.03842187447838 0.37137824305509 0.00000000000000 15.999 > 21 43 Zn 0.54044795361337 0.24986164162839 0.50000000000000 65.380 > 43 44 Zn 0.74986164162838 0.95955204638663 0.00000000000000 65.380 > 44 45 Zn 0.25013835837162 0.04044795361337 0.00000000000000 65.380 > 45 46 Zn 0.45955204638663 0.75013835837162 0.50000000000000 65.380 > 46 47 Zn 0.04044795361337 0.74986164162838 0.00000000000000 65.380 > 43 48 Zn 0.24986164162839 0.45955204638663 0.50000000000000 65.380 > 44 49 Zn 0.75013835837162 0.54044795361337 0.50000000000000 65.380 > 45 50 Zn 0.95955204638663 0.25013835837162 0.00000000000000 65.380 > 46 51 Ba 0.53593427037784 0.86022281908753 0.00000000000000 137.327 > 51 52 Ba 0.36022281908753 0.96406572962216 0.50000000000000 137.327 > 52 53 Ba 0.63977718091247 0.03593427037784 0.50000000000000 137.327 > 53 54 Ba 0.46406572962216 0.13977718091247 0.00000000000000 137.327 > 54 55 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 55 56 Ba 0.03593427037784 0.36022281908753 0.50000000000000 137.327 > 51 57 Ba 0.86022281908753 0.46406572962216 0.00000000000000 137.327 > 52 58 Ba 0.13977718091247 0.53593427037784 0.00000000000000 137.327 > 53 59 Ba 0.96406572962216 0.63977718091247 0.50000000000000 137.327 > 54 60 Ba 0.50000000000000 0.50000000000000 0.50000000000000 137.327 > 55 61 Ho 0.41195217211434 0.64266952746231 0.00000000000000 164.930 > 61 62 Ho 0.14266952746232 0.08804782788566 0.50000000000000 164.930 > 62 63 Ho 0.85733047253769 0.91195217211434 0.50000000000000 164.930 > 63 64 Ho 0.58804782788566 0.35733047253769 0.00000000000000 164.930 > 64 65 Ho 0.24719540105241 0.83214257894620 0.00000000000000 164.930 > 65 66 Ho 0.33214257894620 0.25280459894759 0.50000000000000 164.930 > 66 67 Ho 0.66785742105380 0.74719540105241 0.50000000000000 164.930 > 67 68 Ho 0.75280459894759 0.16785742105380 0.00000000000000 164.930 > 68 69 Ho 0.91195217211434 0.14266952746232 0.50000000000000 164.930 > 61 70 Ho 0.64266952746231 0.58804782788566 0.00000000000000 164.930 > 62 71 Ho 0.35733047253769 0.41195217211434 0.00000000000000 164.930 > 63 72 Ho 0.08804782788566 0.85733047253769 0.50000000000000 164.930 > 64 73 Ho 0.74719540105241 0.33214257894620 0.50000000000000 164.930 > 65 74 Ho 0.83214257894620 0.75280459894759 0.00000000000000 164.930 > 66 75 Ho 0.16785742105380 0.24719540105241 0.00000000000000 164.930 > 67 76 Ho 0.25280459894759 0.66785742105380 0.50000000000000 164.930 > 68 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5885874 0.0000015 0.0000000 -0.0000015 4.5885874 0.0000000 0.0000000 0.0000000 4.9075352 -------------------------- Born effective charges -------------------------- 1 O -2.4417850 0.2089908 0.0914665 0.2569355 -2.2402975 -0.1026352 0.1528746 -0.1621345 -2.5978762 2 O -2.2402975 -0.2569355 -0.1026352 -0.2089908 -2.4417850 -0.0914665 -0.1621345 -0.1528746 -2.5978762 3 O -2.2402975 -0.2569355 0.1026352 -0.2089908 -2.4417850 0.0914665 0.1621345 0.1528746 -2.5978762 4 O -2.4417850 0.2089908 -0.0914665 0.2569355 -2.2402975 0.1026352 -0.1528746 0.1621345 -2.5978762 5 O -2.4417850 0.2089908 0.0914665 0.2569355 -2.2402975 -0.1026352 0.1528746 -0.1621345 -2.5978762 6 O -2.2402975 -0.2569355 -0.1026352 -0.2089908 -2.4417850 -0.0914665 -0.1621345 -0.1528746 -2.5978762 7 O -2.2402975 -0.2569355 0.1026352 -0.2089908 -2.4417850 0.0914665 0.1621345 0.1528746 -2.5978762 8 O -2.4417850 0.2089908 -0.0914665 0.2569355 -2.2402975 0.1026352 -0.1528746 0.1621345 -2.5978762 9 O -2.2916801 -0.0284134 -0.4974184 -0.0909243 -2.5615919 0.0997526 -0.5095244 0.1295076 -2.7390520 10 O -2.5615919 0.0909243 0.0997526 0.0284134 -2.2916801 0.4974184 0.1295076 0.5095244 -2.7390520 11 O -2.5615919 0.0909243 -0.0997526 0.0284134 -2.2916801 -0.4974184 -0.1295076 -0.5095244 -2.7390520 12 O -2.2916801 -0.0284134 0.4974184 -0.0909243 -2.5615919 -0.0997526 0.5095244 -0.1295076 -2.7390520 13 O -2.2916801 -0.0284134 -0.4974184 -0.0909243 -2.5615919 0.0997526 -0.5095244 0.1295076 -2.7390520 14 O -2.5615919 0.0909243 0.0997526 0.0284134 -2.2916801 0.4974184 0.1295076 0.5095244 -2.7390520 15 O -2.5615919 0.0909243 -0.0997526 0.0284134 -2.2916801 -0.4974184 -0.1295076 -0.5095244 -2.7390520 16 O -2.2916801 -0.0284134 0.4974184 -0.0909243 -2.5615919 -0.0997526 0.5095244 -0.1295076 -2.7390520 17 O -2.6863882 0.0237448 -0.0000000 0.0183816 -2.5265653 -0.0000000 0.0000000 -0.0000000 -2.3698459 18 O -2.9560730 0.0222464 -0.0000000 -0.0222464 -2.9560730 -0.0000000 0.0000000 -0.0000000 -2.1263647 19 O -2.6863882 0.0237448 -0.0000000 0.0183816 -2.5265653 -0.0000000 0.0000000 -0.0000000 -2.3698459 20 O -2.5265653 -0.0183816 -0.0000000 -0.0237448 -2.6863882 -0.0000000 0.0000000 -0.0000000 -2.3698459 21 O -2.5265653 -0.0183816 -0.0000000 -0.0237448 -2.6863882 -0.0000000 0.0000000 -0.0000000 -2.3698459 22 Zn 2.2093984 -0.1416702 -0.0000000 -0.1270667 1.6571519 -0.0000000 0.0000000 -0.0000000 2.4352310 23 Zn 1.6571519 0.1270667 -0.0000000 0.1416702 2.2093984 -0.0000000 0.0000000 -0.0000000 2.4352310 24 Zn 1.6571519 0.1270667 -0.0000000 0.1416702 2.2093984 -0.0000000 0.0000000 -0.0000000 2.4352310 25 Zn 2.2093984 -0.1416702 -0.0000000 -0.1270667 1.6571519 -0.0000000 0.0000000 -0.0000000 2.4352310 26 Ba 2.8054312 0.0545576 -0.0000000 -0.0277312 2.7378326 -0.0000000 0.0000000 -0.0000000 2.6166746 27 Ba 2.7378326 0.0277312 -0.0000000 -0.0545576 2.8054312 -0.0000000 0.0000000 -0.0000000 2.6166746 28 Ba 2.7378326 0.0277312 -0.0000000 -0.0545576 2.8054312 -0.0000000 0.0000000 -0.0000000 2.6166746 29 Ba 2.8054312 0.0545576 -0.0000000 -0.0277312 2.7378326 -0.0000000 0.0000000 -0.0000000 2.6166746 30 Ba 2.6692299 0.0190616 -0.0000000 -0.0190616 2.6692299 -0.0000000 0.0000000 -0.0000000 3.0432483 31 Ho 3.5569528 0.0125543 -0.0000000 0.1079832 3.8981760 -0.0000000 0.0000000 -0.0000000 3.8819678 32 Ho 3.8981760 -0.1079832 -0.0000000 -0.0125543 3.5569528 -0.0000000 0.0000000 -0.0000000 3.8819678 33 Ho 3.8981760 -0.1079832 -0.0000000 -0.0125543 3.5569528 -0.0000000 0.0000000 -0.0000000 3.8819678 34 Ho 3.5569528 0.0125543 -0.0000000 0.1079832 3.8981760 -0.0000000 0.0000000 -0.0000000 3.8819678 35 Ho 3.7363446 -0.2192713 -0.0000000 -0.1918650 3.8257965 -0.0000000 0.0000000 -0.0000000 3.8806079 36 Ho 3.8257965 0.1918650 -0.0000000 0.2192713 3.7363446 -0.0000000 0.0000000 -0.0000000 3.8806079 37 Ho 3.8257965 0.1918650 -0.0000000 0.2192713 3.7363446 -0.0000000 0.0000000 -0.0000000 3.8806079 38 Ho 3.7363446 -0.2192713 -0.0000000 -0.1918650 3.8257965 -0.0000000 0.0000000 -0.0000000 3.8806079 ---------------------------------------------------------------------------- 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[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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[ 18, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 43, 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[ 51, 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[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, 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[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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: -0.00000003 (zyz) -0.00000003 (zyz) -0.00000003 (zzy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xy) -0.00000000 (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 2026-01-07 22:04:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:04:07]------------------------- 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): [1 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4/m (87) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -6.820126595000000 6.820126595000000 2.830023165000000 b 6.820126595000000 -6.820126595000000 2.830023165000000 c 6.820126595000000 6.820126595000000 -2.830023165000000 Atomic positions (fractional): 1 O 0.49397976074324 0.90016639427700 0.89017421538796 15.999 2 O 0.60380554535528 0.49397976074324 0.59381336646624 15.999 3 O 0.90016639427700 0.00999217888904 0.40618663353376 15.999 4 O 0.00999217888904 0.60380554535528 0.10982578461204 15.999 5 O 0.50602023925676 0.09983360572300 0.10982578461204 15.999 6 O 0.39619445464473 0.50602023925676 0.40618663353376 15.999 7 O 0.09983360572300 0.99000782111096 0.59381336646624 15.999 8 O 0.99000782111096 0.39619445464472 0.89017421538796 15.999 9 O 0.29855795134988 0.07294947183791 0.87097993351253 15.999 10 O 0.42757801783735 0.29855795134988 0.22560847951197 15.999 11 O 0.07294947183791 0.20196953832538 0.77439152048803 15.999 12 O 0.20196953832538 0.42757801783735 0.12902006648747 15.999 13 O 0.70144204865012 0.92705052816209 0.12902006648747 15.999 14 O 0.57242198216265 0.70144204865012 0.77439152048803 15.999 15 O 0.92705052816209 0.79803046167462 0.22560847951197 15.999 16 O 0.79803046167462 0.57242198216265 0.87097993351253 15.999 17 O 0.03842187447838 0.62862175694491 0.66704363142330 15.999 18 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 19 O 0.96157812552162 0.37137824305509 0.33295636857670 15.999 20 O 0.62862175694491 0.96157812552162 0.59019988246653 15.999 21 O 0.37137824305509 0.03842187447838 0.40980011753347 15.999 22 Zn 0.74986164162838 0.04044795361337 0.79030959524175 65.380 23 Zn 0.95955204638663 0.74986164162838 0.70941368801502 65.380 24 Zn 0.04044795361337 0.25013835837162 0.29058631198498 65.380 25 Zn 0.25013835837162 0.95955204638663 0.20969040475825 65.380 26 Ba 0.86022281908753 0.53593427037784 0.39615708946537 137.327 27 Ba 0.46406572962216 0.86022281908753 0.32428854870970 137.327 28 Ba 0.53593427037784 0.13977718091247 0.67571145129030 137.327 29 Ba 0.13977718091247 0.46406572962216 0.60384291053463 137.327 30 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 31 Ho 0.64266952746231 0.41195217211434 0.05462169957666 164.930 32 Ho 0.58804782788566 0.64266952746231 0.23071735534797 164.930 33 Ho 0.41195217211434 0.35733047253769 0.76928264465203 164.930 34 Ho 0.35733047253769 0.58804782788566 0.94537830042334 164.930 35 Ho 0.83214257894620 0.24719540105241 0.07933797999861 164.930 36 Ho 0.75280459894759 0.83214257894620 0.58494717789379 164.930 37 Ho 0.24719540105241 0.16785742105380 0.41505282210621 164.930 38 Ho 0.16785742105380 0.75280459894759 0.92066202000139 164.930 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.640253189999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.640253189999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.660046330000000 Atomic positions (fractional): 1 O 0.64818042446086 0.24199379092710 0.25198596981614 15.999 > 1 2 O 0.74199379092710 0.85181957553914 0.75198596981614 15.999 > 2 3 O 0.25800620907290 0.14818042446086 0.75198596981614 15.999 > 3 4 O 0.35181957553914 0.75800620907290 0.25198596981614 15.999 > 4 5 O 0.35181957553914 0.75800620907290 0.74801403018386 15.999 > 5 6 O 0.25800620907290 0.14818042446086 0.24801403018386 15.999 > 6 7 O 0.74199379092710 0.85181957553914 0.24801403018386 15.999 > 7 8 O 0.64818042446086 0.24199379092710 0.74801403018386 15.999 > 8 9 O 0.82268572700028 0.04829420651225 0.25026374483763 15.999 > 9 10 O 0.54829420651225 0.67731427299972 0.75026374483763 15.999 > 10 11 O 0.45170579348775 0.32268572700028 0.75026374483763 15.999 > 11 12 O 0.17731427299972 0.95170579348775 0.25026374483763 15.999 > 12 13 O 0.17731427299972 0.95170579348775 0.74973625516237 15.999 > 13 14 O 0.45170579348775 0.32268572700028 0.24973625516237 15.999 > 14 15 O 0.54829420651225 0.67731427299972 0.24973625516237 15.999 > 15 16 O 0.82268572700028 0.04829420651225 0.74973625516237 15.999 > 16 17 O 0.62862175694491 0.03842187447838 0.00000000000000 15.999 > 17 18 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 18 19 O 0.37137824305509 0.96157812552162 0.00000000000000 15.999 > 19 20 O 0.46157812552162 0.12862175694491 0.50000000000000 15.999 > 20 21 O 0.53842187447838 0.87137824305509 0.50000000000000 15.999 > 21 22 O 0.14818042446086 0.74199379092710 0.75198596981614 15.999 > 1 23 O 0.24199379092710 0.35181957553914 0.25198596981614 15.999 > 2 24 O 0.75800620907290 0.64818042446086 0.25198596981614 15.999 > 3 25 O 0.85181957553914 0.25800620907290 0.75198596981614 15.999 > 4 26 O 0.85181957553914 0.25800620907290 0.24801403018386 15.999 > 5 27 O 0.75800620907290 0.64818042446086 0.74801403018386 15.999 > 6 28 O 0.24199379092710 0.35181957553914 0.74801403018386 15.999 > 7 29 O 0.14818042446086 0.74199379092710 0.24801403018386 15.999 > 8 30 O 0.32268572700028 0.54829420651225 0.75026374483763 15.999 > 9 31 O 0.04829420651225 0.17731427299972 0.25026374483763 15.999 > 10 32 O 0.95170579348775 0.82268572700028 0.25026374483763 15.999 > 11 33 O 0.67731427299972 0.45170579348775 0.75026374483763 15.999 > 12 34 O 0.67731427299972 0.45170579348775 0.24973625516237 15.999 > 13 35 O 0.95170579348775 0.82268572700028 0.74973625516237 15.999 > 14 36 O 0.04829420651225 0.17731427299972 0.74973625516237 15.999 > 15 37 O 0.32268572700028 0.54829420651225 0.24973625516237 15.999 > 16 38 O 0.12862175694491 0.53842187447838 0.50000000000000 15.999 > 17 39 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 18 40 O 0.87137824305509 0.46157812552162 0.50000000000000 15.999 > 19 41 O 0.96157812552162 0.62862175694491 0.00000000000000 15.999 > 20 42 O 0.03842187447838 0.37137824305509 0.00000000000000 15.999 > 21 43 Zn 0.54044795361337 0.24986164162839 0.50000000000000 65.380 > 43 44 Zn 0.74986164162838 0.95955204638663 0.00000000000000 65.380 > 44 45 Zn 0.25013835837162 0.04044795361337 0.00000000000000 65.380 > 45 46 Zn 0.45955204638663 0.75013835837162 0.50000000000000 65.380 > 46 47 Zn 0.04044795361337 0.74986164162838 0.00000000000000 65.380 > 43 48 Zn 0.24986164162839 0.45955204638663 0.50000000000000 65.380 > 44 49 Zn 0.75013835837162 0.54044795361337 0.50000000000000 65.380 > 45 50 Zn 0.95955204638663 0.25013835837162 0.00000000000000 65.380 > 46 51 Ba 0.53593427037784 0.86022281908753 0.00000000000000 137.327 > 51 52 Ba 0.36022281908753 0.96406572962216 0.50000000000000 137.327 > 52 53 Ba 0.63977718091247 0.03593427037784 0.50000000000000 137.327 > 53 54 Ba 0.46406572962216 0.13977718091247 0.00000000000000 137.327 > 54 55 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 55 56 Ba 0.03593427037784 0.36022281908753 0.50000000000000 137.327 > 51 57 Ba 0.86022281908753 0.46406572962216 0.00000000000000 137.327 > 52 58 Ba 0.13977718091247 0.53593427037784 0.00000000000000 137.327 > 53 59 Ba 0.96406572962216 0.63977718091247 0.50000000000000 137.327 > 54 60 Ba 0.50000000000000 0.50000000000000 0.50000000000000 137.327 > 55 61 Ho 0.41195217211434 0.64266952746231 0.00000000000000 164.930 > 61 62 Ho 0.14266952746232 0.08804782788566 0.50000000000000 164.930 > 62 63 Ho 0.85733047253769 0.91195217211434 0.50000000000000 164.930 > 63 64 Ho 0.58804782788566 0.35733047253769 0.00000000000000 164.930 > 64 65 Ho 0.24719540105241 0.83214257894620 0.00000000000000 164.930 > 65 66 Ho 0.33214257894620 0.25280459894759 0.50000000000000 164.930 > 66 67 Ho 0.66785742105380 0.74719540105241 0.50000000000000 164.930 > 67 68 Ho 0.75280459894759 0.16785742105380 0.00000000000000 164.930 > 68 69 Ho 0.91195217211434 0.14266952746232 0.50000000000000 164.930 > 61 70 Ho 0.64266952746231 0.58804782788566 0.00000000000000 164.930 > 62 71 Ho 0.35733047253769 0.41195217211434 0.00000000000000 164.930 > 63 72 Ho 0.08804782788566 0.85733047253769 0.50000000000000 164.930 > 64 73 Ho 0.74719540105241 0.33214257894620 0.50000000000000 164.930 > 65 74 Ho 0.83214257894620 0.75280459894759 0.00000000000000 164.930 > 66 75 Ho 0.16785742105380 0.24719540105241 0.00000000000000 164.930 > 67 76 Ho 0.25280459894759 0.66785742105380 0.50000000000000 164.930 > 68 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.5885874 0.0000015 0.0000000 -0.0000015 4.5885874 0.0000000 0.0000000 0.0000000 4.9075352 -------------------------- Born effective charges -------------------------- 1 O -2.4417850 0.2089908 0.0914665 0.2569355 -2.2402975 -0.1026352 0.1528746 -0.1621345 -2.5978762 2 O -2.2402975 -0.2569355 -0.1026352 -0.2089908 -2.4417850 -0.0914665 -0.1621345 -0.1528746 -2.5978762 3 O -2.2402975 -0.2569355 0.1026352 -0.2089908 -2.4417850 0.0914665 0.1621345 0.1528746 -2.5978762 4 O -2.4417850 0.2089908 -0.0914665 0.2569355 -2.2402975 0.1026352 -0.1528746 0.1621345 -2.5978762 5 O -2.4417850 0.2089908 0.0914665 0.2569355 -2.2402975 -0.1026352 0.1528746 -0.1621345 -2.5978762 6 O -2.2402975 -0.2569355 -0.1026352 -0.2089908 -2.4417850 -0.0914665 -0.1621345 -0.1528746 -2.5978762 7 O -2.2402975 -0.2569355 0.1026352 -0.2089908 -2.4417850 0.0914665 0.1621345 0.1528746 -2.5978762 8 O -2.4417850 0.2089908 -0.0914665 0.2569355 -2.2402975 0.1026352 -0.1528746 0.1621345 -2.5978762 9 O -2.2916801 -0.0284134 -0.4974184 -0.0909243 -2.5615919 0.0997526 -0.5095244 0.1295076 -2.7390520 10 O -2.5615919 0.0909243 0.0997526 0.0284134 -2.2916801 0.4974184 0.1295076 0.5095244 -2.7390520 11 O -2.5615919 0.0909243 -0.0997526 0.0284134 -2.2916801 -0.4974184 -0.1295076 -0.5095244 -2.7390520 12 O -2.2916801 -0.0284134 0.4974184 -0.0909243 -2.5615919 -0.0997526 0.5095244 -0.1295076 -2.7390520 13 O -2.2916801 -0.0284134 -0.4974184 -0.0909243 -2.5615919 0.0997526 -0.5095244 0.1295076 -2.7390520 14 O -2.5615919 0.0909243 0.0997526 0.0284134 -2.2916801 0.4974184 0.1295076 0.5095244 -2.7390520 15 O -2.5615919 0.0909243 -0.0997526 0.0284134 -2.2916801 -0.4974184 -0.1295076 -0.5095244 -2.7390520 16 O -2.2916801 -0.0284134 0.4974184 -0.0909243 -2.5615919 -0.0997526 0.5095244 -0.1295076 -2.7390520 17 O -2.6863882 0.0237448 -0.0000000 0.0183816 -2.5265653 -0.0000000 0.0000000 -0.0000000 -2.3698459 18 O -2.9560730 0.0222464 -0.0000000 -0.0222464 -2.9560730 -0.0000000 0.0000000 -0.0000000 -2.1263647 19 O -2.6863882 0.0237448 -0.0000000 0.0183816 -2.5265653 -0.0000000 0.0000000 -0.0000000 -2.3698459 20 O -2.5265653 -0.0183816 -0.0000000 -0.0237448 -2.6863882 -0.0000000 0.0000000 -0.0000000 -2.3698459 21 O -2.5265653 -0.0183816 -0.0000000 -0.0237448 -2.6863882 -0.0000000 0.0000000 -0.0000000 -2.3698459 22 Zn 2.2093984 -0.1416702 -0.0000000 -0.1270667 1.6571519 -0.0000000 0.0000000 -0.0000000 2.4352310 23 Zn 1.6571519 0.1270667 -0.0000000 0.1416702 2.2093984 -0.0000000 0.0000000 -0.0000000 2.4352310 24 Zn 1.6571519 0.1270667 -0.0000000 0.1416702 2.2093984 -0.0000000 0.0000000 -0.0000000 2.4352310 25 Zn 2.2093984 -0.1416702 -0.0000000 -0.1270667 1.6571519 -0.0000000 0.0000000 -0.0000000 2.4352310 26 Ba 2.8054312 0.0545576 -0.0000000 -0.0277312 2.7378326 -0.0000000 0.0000000 -0.0000000 2.6166746 27 Ba 2.7378326 0.0277312 -0.0000000 -0.0545576 2.8054312 -0.0000000 0.0000000 -0.0000000 2.6166746 28 Ba 2.7378326 0.0277312 -0.0000000 -0.0545576 2.8054312 -0.0000000 0.0000000 -0.0000000 2.6166746 29 Ba 2.8054312 0.0545576 -0.0000000 -0.0277312 2.7378326 -0.0000000 0.0000000 -0.0000000 2.6166746 30 Ba 2.6692299 0.0190616 -0.0000000 -0.0190616 2.6692299 -0.0000000 0.0000000 -0.0000000 3.0432483 31 Ho 3.5569528 0.0125543 -0.0000000 0.1079832 3.8981760 -0.0000000 0.0000000 -0.0000000 3.8819678 32 Ho 3.8981760 -0.1079832 -0.0000000 -0.0125543 3.5569528 -0.0000000 0.0000000 -0.0000000 3.8819678 33 Ho 3.8981760 -0.1079832 -0.0000000 -0.0125543 3.5569528 -0.0000000 0.0000000 -0.0000000 3.8819678 34 Ho 3.5569528 0.0125543 -0.0000000 0.1079832 3.8981760 -0.0000000 0.0000000 -0.0000000 3.8819678 35 Ho 3.7363446 -0.2192713 -0.0000000 -0.1918650 3.8257965 -0.0000000 0.0000000 -0.0000000 3.8806079 36 Ho 3.8257965 0.1918650 -0.0000000 0.2192713 3.7363446 -0.0000000 0.0000000 -0.0000000 3.8806079 37 Ho 3.8257965 0.1918650 -0.0000000 0.2192713 3.7363446 -0.0000000 0.0000000 -0.0000000 3.8806079 38 Ho 3.7363446 -0.2192713 -0.0000000 -0.1918650 3.8257965 -0.0000000 0.0000000 -0.0000000 3.8806079 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (zyz) -0.00000003 (zyz) -0.00000003 (zzy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... Generalized regular grid: [ 1 4 72 ] Grid generation matrix: [ 0 4 4 ] [ -4 0 -4 ] [ -9 -9 0 ] 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: 0.51, Number of G-points: 279, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/50) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.972 ( 0.000 0.000 0.000) 0.000 2.091 ( 0.000 0.000 0.000) 0.000 2.326 ( 0.000 0.000 0.000) 0.000 2.326 ( 0.000 0.000 0.000) 0.000 2.451 ( 0.000 0.000 0.000) 0.000 2.451 ( 0.000 0.000 0.000) 0.000 2.490 ( 0.000 0.000 0.000) 0.000 2.573 ( 0.000 0.000 0.000) 0.000 2.710 ( 0.000 0.000 0.000) 0.000 2.801 ( 0.000 0.000 0.000) 0.000 2.801 ( 0.000 0.000 0.000) 0.000 3.012 ( 0.000 0.000 0.000) 0.000 3.012 ( 0.000 0.000 0.000) 0.000 3.034 ( 0.000 0.000 0.000) 0.000 3.066 ( 0.000 0.000 0.000) 0.000 3.197 ( 0.000 0.000 0.000) 0.000 3.197 ( 0.000 0.000 0.000) 0.000 3.373 ( 0.000 0.000 0.000) 0.000 3.524 ( 0.000 0.000 0.000) 0.000 3.524 ( 0.000 0.000 0.000) 0.000 3.564 ( 0.000 0.000 0.000) 0.000 3.695 ( 0.000 0.000 0.000) 0.000 3.903 ( 0.000 0.000 0.000) 0.000 3.911 ( 0.000 0.000 0.000) 0.000 4.061 ( 0.000 0.000 0.000) 0.000 4.093 ( 0.000 0.000 0.000) 0.000 4.129 ( 0.000 0.000 0.000) 0.000 4.268 ( 0.000 0.000 0.000) 0.000 4.268 ( 0.000 0.000 0.000) 0.000 4.414 ( 0.000 0.000 0.000) 0.000 4.414 ( 0.000 0.000 0.000) 0.000 4.434 ( 0.000 0.000 0.000) 0.000 4.629 ( 0.000 0.000 0.000) 0.000 4.756 ( 0.000 0.000 0.000) 0.000 4.952 ( 0.000 0.000 0.000) 0.000 4.980 ( 0.000 0.000 0.000) 0.000 5.070 ( 0.000 0.000 0.000) 0.000 5.070 ( 0.000 0.000 0.000) 0.000 5.298 ( 0.000 0.000 0.000) 0.000 5.298 ( 0.000 0.000 0.000) 0.000 5.394 ( 0.000 0.000 0.000) 0.000 5.394 ( 0.000 0.000 0.000) 0.000 5.567 ( 0.000 0.000 0.000) 0.000 5.585 ( 0.000 0.000 0.000) 0.000 5.618 ( 0.000 0.000 0.000) 0.000 5.768 ( 0.000 0.000 0.000) 0.000 5.768 ( 0.000 0.000 0.000) 0.000 6.004 ( 0.000 0.000 0.000) 0.000 6.447 ( 0.000 0.000 0.000) 0.000 6.510 ( 0.000 0.000 0.000) 0.000 6.748 ( 0.000 0.000 0.000) 0.000 6.792 ( 0.000 0.000 0.000) 0.000 6.792 ( 0.000 0.000 0.000) 0.000 6.918 ( 0.000 0.000 0.000) 0.000 6.918 ( 0.000 0.000 0.000) 0.000 7.209 ( 0.000 0.000 0.000) 0.000 7.252 ( 0.000 0.000 0.000) 0.000 7.252 ( 0.000 0.000 0.000) 0.000 7.299 ( 0.000 0.000 0.000) 0.000 7.371 ( 0.000 0.000 0.000) 0.000 8.178 ( 0.000 0.000 0.000) 0.000 8.310 ( 0.000 0.000 0.000) 0.000 8.310 ( 0.000 0.000 0.000) 0.000 8.314 ( 0.000 0.000 0.000) 0.000 8.666 ( 0.000 0.000 0.000) 0.000 8.666 ( 0.000 0.000 0.000) 0.000 8.777 ( 0.000 0.000 0.000) 0.000 8.891 ( 0.000 0.000 0.000) 0.000 9.043 ( 0.000 0.000 0.000) 0.000 9.106 ( 0.000 0.000 0.000) 0.000 9.106 ( 0.000 0.000 0.000) 0.000 9.257 ( 0.000 0.000 0.000) 0.000 9.439 ( 0.000 0.000 0.000) 0.000 9.714 ( 0.000 0.000 0.000) 0.000 9.714 ( 0.000 0.000 0.000) 0.000 9.973 ( 0.000 0.000 0.000) 0.000 10.150 ( 0.000 0.000 0.000) 0.000 10.313 ( 0.000 0.000 0.000) 0.000 10.492 ( 0.000 0.000 0.000) 0.000 10.492 ( 0.000 0.000 0.000) 0.000 10.685 ( 0.000 0.000 0.000) 0.000 10.950 ( 0.000 0.000 0.000) 0.000 11.306 ( 0.000 0.000 0.000) 0.000 11.306 ( 0.000 0.000 0.000) 0.000 11.665 ( 0.000 0.000 0.000) 0.000 11.860 ( 0.000 0.000 0.000) 0.000 11.860 ( 0.000 0.000 0.000) 0.000 12.221 ( 0.000 0.000 0.000) 0.000 12.896 ( 0.000 0.000 0.000) 0.000 12.896 ( 0.000 0.000 0.000) 0.000 13.103 ( 0.000 0.000 0.000) 0.000 13.217 ( 0.000 0.000 0.000) 0.000 13.668 ( 0.000 0.000 0.000) 0.000 13.877 ( 0.000 0.000 0.000) 0.000 13.877 ( 0.000 0.000 0.000) 0.000 13.916 ( 0.000 0.000 0.000) 0.000 14.090 ( 0.000 0.000 0.000) 0.000 14.287 ( 0.000 0.000 0.000) 0.000 14.287 ( 0.000 0.000 0.000) 0.000 14.491 ( 0.000 0.000 0.000) 0.000 14.732 ( 0.000 0.000 0.000) 0.000 15.266 ( 0.000 0.000 0.000) 0.000 15.266 ( 0.000 0.000 0.000) 0.000 16.159 ( 0.000 0.000 0.000) 0.000 16.808 ( 0.000 0.000 0.000) 0.000 17.081 ( 0.000 0.000 0.000) 0.000 17.081 ( 0.000 0.000 0.000) 0.000 17.240 ( 0.000 0.000 0.000) 0.000 17.672 ( 0.000 0.000 0.000) 0.000 17.829 ( 0.000 0.000 0.000) 0.000 17.829 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/50) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( 16.187 16.249 -0.000) 22.936 0.763 ( 23.756 16.394 0.000) 28.863 1.317 ( 32.090 37.221 -0.000) 49.145 1.743 ( -11.742 -11.220 -0.000) 16.241 2.025 ( -7.096 -5.328 -0.000) 8.874 2.295 ( 6.915 -3.159 0.000) 7.602 2.306 ( -1.709 -3.454 0.000) 3.853 2.381 ( -2.710 8.557 -0.000) 8.976 2.490 ( -1.703 -2.280 0.000) 2.846 2.582 ( -1.196 -3.834 0.000) 4.016 2.670 ( 5.110 4.172 0.000) 6.597 2.728 ( 3.770 3.974 -0.000) 5.478 2.804 ( -10.050 2.249 -0.000) 10.299 2.850 ( -5.185 -6.781 0.000) 8.536 2.862 ( 1.316 -1.211 0.000) 1.788 2.909 ( 3.103 1.417 0.000) 3.411 2.956 ( -8.207 -7.286 -0.000) 10.975 3.023 ( 4.315 -5.066 0.000) 6.655 3.166 ( 0.520 3.591 -0.000) 3.629 3.361 ( 5.079 4.587 0.000) 6.844 3.386 ( -8.151 -4.119 -0.000) 9.133 3.535 ( 4.133 4.353 -0.000) 6.002 3.539 ( -2.822 -4.041 0.000) 4.929 3.563 ( -1.669 -2.456 0.000) 2.969 3.724 ( 0.397 -2.611 0.000) 2.641 3.824 ( -3.911 -5.716 0.000) 6.926 3.879 ( -1.698 -1.786 0.000) 2.464 3.978 ( -2.131 -3.307 0.000) 3.934 4.068 ( -1.484 -0.839 -0.000) 1.705 4.078 ( 0.843 1.242 -0.000) 1.501 4.208 ( -2.058 -1.992 -0.000) 2.864 4.238 ( -5.715 0.904 -0.000) 5.786 4.348 ( 3.027 4.317 -0.000) 5.272 4.507 ( 3.530 1.364 0.000) 3.784 4.567 ( 1.268 4.741 -0.000) 4.907 4.650 ( 2.605 -1.566 0.000) 3.039 4.822 ( 2.889 3.920 -0.000) 4.870 4.910 ( -4.051 -0.220 -0.000) 4.057 4.943 ( 2.807 -6.897 0.000) 7.446 5.086 ( 0.422 3.279 -0.000) 3.306 5.219 ( -2.593 -5.383 0.000) 5.975 5.224 ( 3.662 3.025 0.000) 4.750 5.266 ( -2.281 0.517 -0.000) 2.339 5.303 ( -2.375 -2.227 -0.000) 3.256 5.479 ( -4.861 -4.065 -0.000) 6.336 5.494 ( -2.032 -2.062 0.000) 2.895 5.621 ( 1.337 2.630 -0.000) 2.950 5.667 ( -1.469 -6.028 0.000) 6.204 5.675 ( 0.708 2.617 -0.000) 2.711 5.860 ( 0.603 6.264 -0.000) 6.293 6.030 ( 0.978 -1.099 0.000) 1.471 6.458 ( -2.095 -0.132 -0.000) 2.099 6.517 ( 3.859 3.453 0.000) 5.178 6.702 ( -0.748 -2.831 0.000) 2.928 6.828 ( -0.077 -6.789 0.000) 6.789 6.840 ( 1.548 -2.218 0.000) 2.704 6.876 ( -4.642 1.120 -0.000) 4.775 6.916 ( -0.453 2.369 -0.000) 2.412 7.156 ( -3.212 -1.381 -0.000) 3.497 7.262 ( -0.894 -6.251 0.000) 6.315 7.311 ( -0.056 4.494 -0.000) 4.494 7.604 ( 12.255 14.021 -0.000) 18.622 7.718 ( 5.613 3.623 0.000) 6.681 8.010 ( -6.752 -5.675 -0.000) 8.820 8.245 ( -2.747 -3.415 0.000) 4.383 8.314 ( 3.468 -3.421 0.000) 4.872 8.629 ( -5.318 -2.246 -0.000) 5.773 8.709 ( -6.334 2.770 -0.000) 6.913 8.772 ( -0.783 0.539 -0.000) 0.951 8.829 ( 4.049 -2.826 0.000) 4.938 8.883 ( -0.474 -5.490 0.000) 5.511 8.934 ( -9.862 -0.009 -0.000) 9.862 9.078 ( -1.157 0.460 -0.000) 1.245 9.116 ( 1.754 -1.005 0.000) 2.022 9.249 ( -1.407 -0.128 -0.000) 1.413 9.546 ( 2.297 10.075 -0.000) 10.333 9.850 ( 9.252 -2.381 0.000) 9.553 10.133 ( 1.121 -6.839 0.000) 6.930 10.162 ( 9.402 8.416 0.000) 12.619 10.389 ( 4.416 9.297 -0.000) 10.293 10.489 ( 0.357 -0.583 0.000) 0.684 10.585 ( 4.341 4.184 0.000) 6.029 10.698 ( -1.449 -0.128 -0.000) 1.455 10.927 ( -0.240 -0.507 0.000) 0.561 11.221 ( -5.947 -1.424 -0.000) 6.115 11.308 ( 1.472 -2.519 0.000) 2.918 11.601 ( -11.811 -10.212 -0.000) 15.614 11.631 ( -1.368 -1.418 0.000) 1.971 11.887 ( 3.754 4.463 -0.000) 5.832 12.215 ( 0.327 -0.902 0.000) 0.960 12.679 ( -0.570 5.045 -0.000) 5.077 12.904 ( 7.655 -0.879 0.000) 7.705 13.135 ( 1.515 1.559 -0.000) 2.174 13.218 ( -0.140 -0.150 0.000) 0.206 13.447 ( -8.438 -3.724 -0.000) 9.224 13.691 ( -2.855 3.954 -0.000) 4.877 13.739 ( 1.816 -8.173 0.000) 8.372 13.937 ( 1.018 1.642 -0.000) 1.932 14.213 ( -3.600 -0.505 -0.000) 3.635 14.276 ( -0.407 -0.605 0.000) 0.729 14.283 ( -0.300 -0.107 -0.000) 0.318 14.425 ( 2.444 4.000 -0.000) 4.687 14.750 ( 0.934 0.727 0.000) 1.183 15.067 ( 1.600 -10.249 0.000) 10.373 15.439 ( 3.447 13.452 -0.000) 13.887 15.955 ( -2.251 -2.092 -0.000) 3.072 16.228 ( 3.278 2.667 0.000) 4.226 16.815 ( 0.100 0.564 -0.000) 0.573 16.974 ( -4.980 -5.431 0.000) 7.368 17.147 ( -0.786 -1.062 0.000) 1.321 17.460 ( 1.381 4.431 -0.000) 4.642 17.596 ( -1.069 -4.043 0.000) 4.181 17.874 ( 1.962 -0.171 0.000) 1.969 17.882 ( 0.522 2.638 -0.000) 2.689 ======================= Grid point 2 (3/50) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 0.000 0.000 -0.000) 0.000 1.314 ( 0.000 0.000 -0.000) 0.000 1.335 ( 0.000 0.000 0.000) 0.000 1.701 ( 0.000 0.000 -0.000) 0.000 2.287 ( 0.000 0.000 -0.000) 0.000 2.331 ( 0.000 0.000 0.000) 0.000 2.369 ( 0.000 0.000 0.000) 0.000 2.450 ( 0.000 0.000 0.000) 0.000 2.490 ( 0.000 0.000 0.000) 0.000 2.573 ( 0.000 0.000 -0.000) 0.000 2.633 ( -0.000 -0.000 -0.000) 0.000 2.683 ( 0.000 -0.000 0.000) 0.000 2.687 ( 0.000 0.000 -0.000) 0.000 2.706 ( -0.000 0.000 -0.000) 0.000 2.834 ( 0.000 0.000 0.000) 0.000 2.910 ( 0.000 -0.000 0.000) 0.000 2.973 ( 0.000 0.000 -0.000) 0.000 2.973 ( -0.000 -0.000 0.000) 0.000 3.053 ( 0.000 0.000 -0.000) 0.000 3.219 ( 0.000 0.000 -0.000) 0.000 3.302 ( 0.000 0.000 0.000) 0.000 3.459 ( -0.000 0.000 -0.000) 0.000 3.526 ( 0.000 0.000 -0.000) 0.000 3.620 ( 0.000 -0.000 0.000) 0.000 3.676 ( 0.000 0.000 -0.000) 0.000 3.829 ( 0.000 0.000 -0.000) 0.000 3.830 ( 0.000 0.000 -0.000) 0.000 3.982 ( 0.000 0.000 0.000) 0.000 4.067 ( 0.000 0.000 0.000) 0.000 4.105 ( 0.000 0.000 0.000) 0.000 4.166 ( 0.000 0.000 0.000) 0.000 4.226 ( 0.000 0.000 -0.000) 0.000 4.452 ( 0.000 0.000 0.000) 0.000 4.542 ( 0.000 0.000 -0.000) 0.000 4.624 ( -0.000 0.000 -0.000) 0.000 4.631 ( 0.000 0.000 0.000) 0.000 4.821 ( 0.000 0.000 -0.000) 0.000 4.921 ( 0.000 0.000 -0.000) 0.000 4.950 ( 0.000 -0.000 0.000) 0.000 5.077 ( 0.000 0.000 -0.000) 0.000 5.186 ( -0.000 0.000 -0.000) 0.000 5.233 ( 0.000 0.000 0.000) 0.000 5.274 ( 0.000 0.000 0.000) 0.000 5.289 ( 0.000 0.000 -0.000) 0.000 5.335 ( 0.000 -0.000 0.000) 0.000 5.446 ( 0.000 0.000 -0.000) 0.000 5.588 ( 0.000 0.000 0.000) 0.000 5.664 ( 0.000 0.000 0.000) 0.000 5.703 ( 0.000 0.000 0.000) 0.000 5.971 ( 0.000 0.000 -0.000) 0.000 5.975 ( 0.000 -0.000 0.000) 0.000 6.452 ( 0.000 0.000 0.000) 0.000 6.641 ( 0.000 0.000 -0.000) 0.000 6.687 ( 0.000 -0.000 0.000) 0.000 6.719 ( 0.000 0.000 -0.000) 0.000 6.758 ( 0.000 -0.000 0.000) 0.000 6.839 ( 0.000 0.000 -0.000) 0.000 7.016 ( 0.000 0.000 -0.000) 0.000 7.063 ( 0.000 0.000 -0.000) 0.000 7.189 ( 0.000 0.000 0.000) 0.000 7.366 ( 0.000 0.000 -0.000) 0.000 7.821 ( 0.000 0.000 0.000) 0.000 7.877 ( 0.000 0.000 -0.000) 0.000 8.082 ( -0.000 -0.000 0.000) 0.000 8.127 ( 0.000 0.000 -0.000) 0.000 8.163 ( 0.000 0.000 -0.000) 0.000 8.539 ( 0.000 0.000 0.000) 0.000 8.636 ( -0.000 0.000 -0.000) 0.000 8.786 ( 0.000 0.000 -0.000) 0.000 8.810 ( 0.000 0.000 0.000) 0.000 8.820 ( -0.000 0.000 -0.000) 0.000 8.862 ( 0.000 0.000 -0.000) 0.000 9.086 ( 0.000 0.000 -0.000) 0.000 9.130 ( 0.000 0.000 0.000) 0.000 9.221 ( -0.000 0.000 -0.000) 0.000 9.729 ( 0.000 0.000 -0.000) 0.000 9.914 ( 0.000 0.000 0.000) 0.000 10.005 ( 0.000 0.000 0.000) 0.000 10.474 ( 0.000 0.000 -0.000) 0.000 10.482 ( 0.000 -0.000 0.000) 0.000 10.556 ( -0.000 0.000 -0.000) 0.000 10.633 ( 0.000 0.000 0.000) 0.000 10.698 ( 0.000 0.000 0.000) 0.000 10.935 ( -0.000 0.000 -0.000) 0.000 11.147 ( 0.000 0.000 0.000) 0.000 11.268 ( 0.000 0.000 0.000) 0.000 11.303 ( 0.000 0.000 0.000) 0.000 11.602 ( 0.000 0.000 0.000) 0.000 11.987 ( 0.000 0.000 0.000) 0.000 12.207 ( 0.000 0.000 -0.000) 0.000 12.665 ( 0.000 0.000 0.000) 0.000 13.108 ( 0.000 0.000 0.000) 0.000 13.190 ( 0.000 0.000 -0.000) 0.000 13.195 ( -0.000 -0.000 0.000) 0.000 13.233 ( -0.000 -0.000 -0.000) 0.000 13.668 ( 0.000 0.000 0.000) 0.000 13.713 ( 0.000 0.000 0.000) 0.000 14.024 ( -0.000 -0.000 0.000) 0.000 14.049 ( 0.000 0.000 -0.000) 0.000 14.264 ( 0.000 0.000 -0.000) 0.000 14.278 ( 0.000 0.000 0.000) 0.000 14.597 ( 0.000 0.000 0.000) 0.000 14.768 ( 0.000 0.000 0.000) 0.000 14.918 ( 0.000 0.000 0.000) 0.000 15.690 ( 0.000 0.000 0.000) 0.000 15.848 ( 0.000 0.000 0.000) 0.000 16.296 ( 0.000 0.000 0.000) 0.000 16.833 ( 0.000 0.000 -0.000) 0.000 16.848 ( -0.000 -0.000 0.000) 0.000 17.135 ( 0.000 0.000 -0.000) 0.000 17.490 ( 0.000 -0.000 0.000) 0.000 17.563 ( 0.000 0.000 0.000) 0.000 17.892 ( 0.000 0.000 0.000) 0.000 17.915 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 5 (4/50) ======================= q-point: ( 0.24 -0.01 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -2.300 11.662 20.543) 23.734 1.310 ( 1.964 33.986 15.587) 37.441 1.949 ( 0.050 3.599 36.800) 36.975 2.167 ( 0.740 -1.258 6.655) 6.813 2.308 ( -1.368 -1.055 6.667) 6.887 2.401 ( 0.828 -2.066 2.480) 3.332 2.445 ( -0.066 -0.620 2.345) 2.426 2.617 ( 0.904 -7.334 9.005) 11.649 2.664 ( -4.596 -2.979 12.201) 13.374 2.710 ( 2.721 0.514 8.510) 8.949 2.786 ( 0.558 -2.136 6.905) 7.249 2.805 ( 2.821 -3.780 6.961) 8.408 2.876 ( -1.267 3.800 10.174) 10.934 2.902 ( 1.575 -5.474 1.125) 5.806 2.953 ( -0.529 4.368 4.443) 6.253 3.025 ( -3.757 2.892 0.971) 4.839 3.129 ( -0.758 -4.445 10.550) 11.474 3.141 ( 1.755 4.088 -0.246) 4.456 3.309 ( 5.395 -1.720 5.878) 8.162 3.325 ( -5.321 -2.134 6.560) 8.712 3.362 ( -1.337 -2.562 -6.988) 7.562 3.449 ( 2.582 -1.162 -4.159) 5.031 3.455 ( -0.772 -3.283 -3.777) 5.063 3.545 ( 0.753 2.829 -1.195) 3.162 3.624 ( 0.246 4.995 1.796) 5.313 3.832 ( -1.935 -1.951 -2.343) 3.611 3.889 ( -0.107 1.874 -0.704) 2.005 3.959 ( -4.158 -6.765 -3.238) 8.576 4.022 ( 0.926 -3.195 -2.394) 4.098 4.169 ( 4.551 -2.382 -1.187) 5.272 4.209 ( -2.752 0.015 -2.163) 3.501 4.235 ( 5.061 -1.976 -1.924) 5.764 4.376 ( 0.812 -0.862 0.739) 1.396 4.416 ( -1.140 1.455 0.657) 1.961 4.500 ( -2.284 5.138 -0.894) 5.693 4.661 ( 0.143 3.717 -0.525) 3.756 4.787 ( 0.479 -1.262 -3.933) 4.158 4.860 ( 0.097 1.497 2.855) 3.225 4.971 ( -3.350 -2.444 -0.729) 4.210 5.014 ( 2.031 0.064 -2.589) 3.291 5.150 ( 1.301 0.338 0.913) 1.625 5.214 ( -0.109 -2.115 -2.086) 2.972 5.228 ( -1.448 -1.423 -3.327) 3.897 5.258 ( -0.079 -3.607 -2.689) 4.500 5.505 ( 4.819 -1.700 -0.215) 5.114 5.545 ( -4.819 1.302 -1.616) 5.247 5.649 ( -1.314 -1.245 -1.275) 2.214 5.709 ( 1.903 4.412 4.397) 6.513 5.743 ( 0.174 -0.952 2.241) 2.441 5.791 ( 0.213 2.663 0.547) 2.727 5.934 ( 0.050 0.941 -4.246) 4.349 6.456 ( -0.014 2.701 -0.844) 2.830 6.658 ( -3.293 -3.355 -5.379) 7.144 6.681 ( 3.472 -0.989 -3.926) 5.334 6.743 ( 0.212 -5.090 -1.163) 5.226 6.827 ( -0.880 -1.250 0.520) 1.615 6.912 ( 1.414 2.881 -0.106) 3.211 7.046 ( 0.162 -4.786 -2.359) 5.339 7.151 ( -0.075 -1.815 -3.123) 3.613 7.187 ( -4.772 -0.670 1.116) 4.946 7.272 ( 4.194 1.889 -5.933) 7.508 7.323 ( -0.954 3.250 -3.413) 4.808 7.597 ( 0.925 5.245 3.938) 6.624 8.047 ( 1.646 -8.416 -3.411) 9.229 8.141 ( -6.080 -3.417 -4.754) 8.440 8.416 ( -0.030 -3.789 -4.477) 5.865 8.429 ( 5.628 8.537 -0.397) 10.233 8.564 ( -5.580 -9.726 1.727) 11.345 8.710 ( 12.380 -3.191 -0.302) 12.788 8.871 ( -9.021 -0.672 4.632) 10.163 9.024 ( -2.726 1.389 0.126) 3.062 9.055 ( 2.310 4.583 -0.353) 5.144 9.106 ( -0.079 2.513 1.359) 2.858 9.298 ( 2.517 -2.741 2.433) 4.446 9.436 ( -0.963 5.365 3.056) 6.249 9.719 ( -0.249 3.762 6.628) 7.625 9.770 ( 2.038 8.598 0.358) 8.844 9.829 ( -3.966 5.005 -0.103) 6.387 10.224 ( 0.077 -3.666 3.572) 5.119 10.493 ( 3.078 2.764 1.419) 4.374 10.634 ( -3.708 -5.159 4.396) 7.726 10.745 ( 2.118 3.081 5.639) 6.766 10.955 ( 0.701 4.983 9.079) 10.380 11.152 ( -0.743 -2.326 10.022) 10.315 11.232 ( 0.771 -8.746 -1.453) 8.899 11.378 ( -0.714 2.633 4.927) 5.632 11.547 ( -0.237 -3.296 2.222) 3.982 12.016 ( -1.346 -5.816 7.912) 9.911 12.119 ( 1.913 2.536 7.244) 7.910 12.304 ( 0.302 7.212 1.849) 7.452 12.316 ( -0.193 8.821 -15.148) 17.530 12.836 ( -1.399 -3.896 -2.740) 4.965 12.925 ( -0.688 5.023 -1.649) 5.331 13.098 ( 0.303 -0.643 0.654) 0.966 13.215 ( 1.837 3.033 -22.015) 22.299 13.751 ( 0.737 0.301 -2.573) 2.693 13.796 ( -1.193 -1.764 -0.916) 2.318 13.887 ( 0.484 2.150 2.440) 3.288 14.259 ( -1.893 -8.574 1.174) 8.859 14.323 ( 1.523 -3.791 1.960) 4.531 14.427 ( -0.427 -0.797 3.568) 3.681 14.545 ( -0.286 2.523 4.811) 5.440 14.659 ( 0.860 1.057 -3.144) 3.427 14.982 ( -2.511 -1.092 -8.650) 9.073 15.134 ( 2.209 11.762 -10.288) 15.782 15.621 ( 0.009 -1.865 -20.573) 20.657 15.777 ( 0.059 3.345 -12.605) 13.041 16.902 ( 0.349 -9.328 0.833) 9.372 16.977 ( -1.849 -4.376 -2.733) 5.480 17.224 ( 2.708 -3.165 -2.741) 4.987 17.364 ( -0.814 -7.050 9.480) 11.842 17.388 ( -0.328 2.027 -6.102) 6.438 17.693 ( -0.355 -1.506 -4.557) 4.813 17.777 ( 0.177 6.333 -4.036) 7.512 ======================= Grid point 6 (5/50) ======================= q-point: ( 0.24 -0.01 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 11.836 14.494 14.061) 23.407 2.016 ( -9.055 -5.563 8.376) 13.532 2.065 ( 3.285 9.948 24.586) 26.725 2.146 ( 6.903 19.992 16.084) 26.571 2.233 ( 0.553 -2.437 8.593) 8.949 2.342 ( -0.936 -1.653 11.498) 11.653 2.412 ( 3.354 0.717 1.584) 3.778 2.546 ( 0.160 -1.046 5.915) 6.009 2.569 ( 1.958 -2.509 9.907) 10.405 2.694 ( 4.270 -10.052 6.508) 12.713 2.775 ( -0.827 2.120 1.934) 2.987 2.807 ( 3.481 -2.425 12.210) 12.926 2.924 ( 5.275 -3.053 1.524) 6.282 2.926 ( 0.785 3.706 4.593) 5.954 2.979 ( -4.161 6.773 2.062) 8.213 2.988 ( -2.356 -5.468 9.748) 11.423 3.047 ( -4.526 1.965 4.958) 6.995 3.127 ( -6.316 -8.768 1.840) 10.961 3.178 ( -4.306 -3.377 6.894) 8.801 3.231 ( -4.145 2.826 -2.603) 5.652 3.308 ( -12.697 -5.027 0.680) 13.673 3.391 ( 5.492 -3.603 1.447) 6.726 3.456 ( 0.566 -0.393 -5.718) 5.760 3.542 ( 2.056 2.518 -2.741) 4.252 3.660 ( -2.679 6.524 -1.448) 7.200 3.740 ( -5.095 0.240 -3.518) 6.197 3.889 ( 1.317 4.468 -0.186) 4.662 3.909 ( 1.297 -0.091 -1.848) 2.260 3.972 ( -1.140 -3.918 -1.654) 4.403 4.164 ( 1.031 -0.287 -0.102) 1.075 4.190 ( -0.161 -0.416 0.683) 0.816 4.306 ( -1.484 -2.334 2.375) 3.646 4.416 ( 5.885 0.461 -0.286) 5.910 4.523 ( 6.572 0.298 -2.600) 7.074 4.557 ( 2.919 2.207 -0.302) 3.672 4.694 ( -0.214 0.003 0.199) 0.293 4.735 ( -4.017 -5.959 -4.957) 8.730 4.850 ( 0.960 -3.327 1.154) 3.650 4.918 ( 1.071 2.022 0.931) 2.470 5.003 ( 3.905 -1.879 -2.477) 4.991 5.128 ( -0.686 -0.564 -0.272) 0.929 5.170 ( 1.795 -2.820 -2.775) 4.345 5.197 ( -0.237 -1.779 -3.033) 3.524 5.256 ( 0.075 2.098 -0.069) 2.100 5.402 ( -5.944 -2.780 -2.303) 6.954 5.580 ( 5.014 -2.744 2.757) 6.346 5.661 ( 0.634 2.216 -1.540) 2.773 5.750 ( 0.689 0.674 4.076) 4.188 5.761 ( -2.467 2.088 1.803) 3.701 5.839 ( -0.344 0.247 -0.327) 0.535 5.954 ( -1.238 2.163 -5.143) 5.715 6.497 ( -5.824 -0.629 -2.120) 6.229 6.574 ( 2.486 3.080 -2.285) 4.570 6.654 ( 0.057 -0.136 -0.434) 0.458 6.719 ( -0.537 -1.202 -2.251) 2.607 6.746 ( -0.501 -3.314 -0.837) 3.454 6.921 ( -2.694 -3.371 -0.521) 4.347 6.988 ( 1.392 3.503 0.426) 3.793 7.035 ( -1.564 -5.668 -4.694) 7.524 7.175 ( -0.637 2.334 0.732) 2.528 7.329 ( -1.929 0.842 -0.211) 2.115 7.395 ( 1.762 2.956 -6.091) 6.996 7.862 ( 12.500 5.000 -0.395) 13.468 7.944 ( 1.727 -3.428 -2.907) 4.815 8.081 ( -0.157 -1.355 0.406) 1.423 8.267 ( -1.770 -6.570 -6.974) 9.744 8.362 ( -1.872 -0.659 -3.944) 4.415 8.533 ( 0.463 -10.110 -0.396) 10.128 8.676 ( -7.826 2.141 2.652) 8.536 8.772 ( -2.018 0.212 3.459) 4.011 9.018 ( -0.311 1.597 4.218) 4.521 9.159 ( 6.220 -0.327 2.440) 6.689 9.166 ( 3.177 0.124 3.287) 4.573 9.344 ( 2.257 -1.120 1.861) 3.132 9.472 ( -3.874 3.403 1.552) 5.385 9.810 ( -0.640 6.230 6.832) 9.268 9.884 ( 3.152 -1.532 -1.316) 3.744 9.967 ( 4.879 6.550 5.430) 9.808 10.247 ( 0.429 3.286 -3.463) 4.794 10.442 ( -3.422 0.391 3.760) 5.099 10.709 ( 0.806 9.017 -2.317) 9.345 10.819 ( -6.130 -8.757 3.673) 11.303 10.888 ( -3.515 3.135 6.484) 8.014 11.052 ( 1.109 -3.128 3.964) 5.170 11.141 ( -1.816 1.075 2.073) 2.958 11.418 ( 1.916 -5.421 8.415) 10.191 11.464 ( 0.962 0.173 8.968) 9.021 11.875 ( 0.104 -5.354 10.513) 11.798 12.202 ( 1.105 2.108 5.309) 5.818 12.395 ( -2.911 5.332 2.500) 6.569 12.649 ( 7.859 12.261 -12.632) 19.279 12.715 ( 2.591 -8.164 -3.464) 9.240 12.980 ( 0.732 0.426 -5.153) 5.223 13.069 ( -3.112 0.716 -2.081) 3.811 13.266 ( -2.798 -0.709 -8.646) 9.115 13.724 ( -2.135 0.259 -0.341) 2.177 13.802 ( -1.848 -7.746 4.857) 9.328 13.924 ( 6.518 7.277 -10.890) 14.629 14.119 ( -1.604 1.524 -1.263) 2.547 14.311 ( -7.336 -3.606 -0.155) 8.175 14.331 ( 3.173 -2.413 0.510) 4.018 14.563 ( 5.419 -1.973 3.139) 6.566 14.730 ( 1.428 -0.439 0.062) 1.496 14.960 ( 0.769 -0.066 -2.138) 2.273 15.330 ( -5.216 9.629 -15.552) 19.020 15.598 ( -0.069 -0.284 -18.020) 18.022 15.909 ( 1.739 6.939 -9.915) 12.226 16.612 ( -7.042 -6.455 -1.202) 9.628 16.934 ( 3.448 -4.084 0.815) 5.407 17.101 ( 2.268 -9.900 6.688) 12.161 17.300 ( -0.156 -1.637 -7.203) 7.388 17.410 ( -4.126 5.743 -4.803) 8.549 17.701 ( 4.755 -3.530 -5.075) 7.799 17.869 ( -2.731 5.616 -2.877) 6.876 ======================= Grid point 7 (6/50) ======================= q-point: ( 0.24 -0.01 -0.49) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( -16.680 -10.742 13.457) 23.973 1.903 ( 3.382 2.076 8.644) 9.511 2.078 ( -4.165 -0.863 27.859) 28.182 2.125 ( -18.857 -5.043 11.355) 22.582 2.282 ( 1.770 5.717 18.089) 19.053 2.340 ( -0.896 -3.704 4.078) 5.581 2.460 ( -2.183 -3.168 1.993) 4.333 2.501 ( 1.337 -0.005 4.238) 4.444 2.611 ( 7.461 -3.112 3.501) 8.809 2.669 ( 3.446 -1.989 9.454) 10.257 2.723 ( 3.275 -0.961 4.397) 5.567 2.765 ( 2.433 -3.726 13.939) 14.632 2.875 ( -1.239 -1.178 0.660) 1.832 2.947 ( -0.944 -0.036 6.395) 6.465 3.008 ( -0.620 1.005 1.795) 2.149 3.039 ( 2.770 0.828 6.795) 7.384 3.099 ( 5.242 7.908 8.782) 12.928 3.103 ( -3.500 4.162 5.851) 7.988 3.170 ( 3.689 6.234 1.315) 7.362 3.226 ( -2.370 -1.262 2.315) 3.545 3.373 ( 5.873 15.703 -2.850) 17.005 3.401 ( 3.852 -4.316 0.272) 5.791 3.435 ( -2.267 0.737 -2.839) 3.707 3.532 ( -2.131 -2.949 -8.335) 9.094 3.693 ( -5.143 6.669 -1.316) 8.524 3.728 ( -0.542 4.129 -0.434) 4.187 3.838 ( -1.169 -2.590 -2.313) 3.664 3.936 ( 0.022 0.908 -1.910) 2.115 4.017 ( 1.054 2.313 0.451) 2.582 4.094 ( 0.493 -8.209 -0.405) 8.234 4.176 ( 1.893 -1.076 -1.079) 2.430 4.270 ( 1.580 -1.861 2.803) 3.718 4.423 ( -2.660 -4.130 0.982) 5.010 4.488 ( 0.548 -5.164 -1.880) 5.523 4.641 ( -1.983 1.056 -1.379) 2.636 4.648 ( 2.083 -1.581 -0.741) 2.718 4.726 ( 3.511 1.827 -2.419) 4.639 4.893 ( 1.544 0.094 0.478) 1.619 4.909 ( 0.657 -0.309 0.017) 0.727 5.057 ( 4.067 -0.058 -3.899) 5.634 5.110 ( -1.180 -4.591 0.136) 4.742 5.173 ( 1.556 -0.399 -3.944) 4.259 5.198 ( 1.649 -0.018 -1.651) 2.334 5.251 ( -0.567 1.034 1.790) 2.144 5.375 ( 1.926 4.300 -3.155) 5.671 5.614 ( 4.452 -3.011 2.186) 5.802 5.660 ( -2.482 -0.846 -0.479) 2.665 5.745 ( -1.806 0.468 1.018) 2.126 5.768 ( -2.603 0.803 0.971) 2.892 5.792 ( -0.017 -0.280 3.850) 3.860 5.961 ( -1.996 1.095 -6.115) 6.525 6.475 ( 0.479 4.621 -1.404) 4.854 6.598 ( -3.315 -1.096 -0.507) 3.528 6.641 ( 0.849 -0.955 -3.774) 3.985 6.713 ( 1.968 -0.271 -2.220) 2.979 6.808 ( 2.687 5.250 -0.769) 5.948 6.901 ( -0.235 -5.408 -3.323) 6.352 6.908 ( 2.369 2.827 1.439) 3.959 7.098 ( 2.846 2.846 -1.886) 4.445 7.222 ( -1.652 4.392 -0.135) 4.694 7.279 ( -1.475 -2.737 1.107) 3.301 7.397 ( -2.545 -1.176 -6.404) 6.991 7.839 ( -7.297 -10.012 3.073) 12.764 8.004 ( 2.945 -0.507 -1.723) 3.449 8.143 ( 9.370 -1.408 -9.606) 13.492 8.220 ( 1.427 -3.125 -9.994) 10.568 8.348 ( 3.053 4.060 3.842) 6.369 8.466 ( 6.305 2.873 2.645) 7.416 8.617 ( -4.824 0.499 0.901) 4.933 8.837 ( 3.365 5.213 3.543) 7.145 9.028 ( -0.774 1.584 -0.513) 1.836 9.135 ( 0.110 -5.027 8.718) 10.064 9.197 ( -0.825 -3.162 0.186) 3.273 9.316 ( 0.461 -4.267 -0.314) 4.303 9.472 ( -2.184 2.951 5.376) 6.510 9.839 ( -3.083 -2.382 -1.190) 4.074 9.898 ( -6.008 3.373 12.390) 14.177 10.102 ( -1.992 0.378 2.670) 3.353 10.166 ( -5.368 -5.033 -5.139) 8.975 10.457 ( 1.061 1.671 -1.297) 2.367 10.562 ( -0.662 -0.025 2.262) 2.357 10.809 ( -1.756 2.878 1.606) 3.735 10.932 ( -0.599 3.425 8.049) 8.768 11.101 ( 2.822 0.676 8.089) 8.594 11.127 ( -1.498 1.991 -5.636) 6.162 11.425 ( 2.727 -0.200 9.671) 10.050 11.466 ( 3.235 -2.412 10.151) 10.923 11.888 ( 5.521 0.967 9.716) 11.217 12.187 ( -2.452 -2.681 5.479) 6.574 12.370 ( -4.740 1.988 2.445) 5.692 12.580 ( -5.391 -6.349 -8.522) 11.917 12.860 ( -1.327 -3.998 -7.570) 8.663 12.976 ( 4.826 4.547 -5.175) 8.411 13.115 ( -9.075 -1.021 -1.092) 9.197 13.150 ( 5.002 2.529 -10.005) 11.468 13.679 ( 2.993 -0.858 1.402) 3.415 13.826 ( 4.768 2.259 4.820) 7.146 13.966 ( -9.268 -4.203 -12.517) 16.132 14.150 ( -0.847 3.634 -2.042) 4.253 14.217 ( 5.579 0.526 -0.196) 5.607 14.393 ( 2.527 2.423 3.597) 5.020 14.601 ( 0.569 -4.256 5.397) 6.896 14.670 ( 1.932 -3.507 -2.784) 4.877 15.017 ( 1.050 1.219 -6.330) 6.532 15.292 ( -11.058 3.843 -10.303) 15.595 15.594 ( 0.323 -0.005 -19.504) 19.507 15.902 ( -6.612 -1.909 -10.824) 12.826 16.631 ( 5.972 8.049 -1.157) 10.089 16.968 ( 3.751 -1.648 5.588) 6.929 17.051 ( 9.767 -5.002 -0.405) 10.980 17.283 ( 0.769 0.233 -3.119) 3.221 17.432 ( -4.295 4.205 -6.632) 8.951 17.703 ( 3.692 -4.689 -4.760) 7.634 17.869 ( -5.698 2.755 -2.899) 6.961 ======================= Grid point 9 (7/50) ======================= q-point: ( 0.47 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( -1.313 6.785 13.722) 15.364 2.192 ( -1.205 0.765 -5.463) 5.647 2.246 ( 1.058 1.323 4.259) 4.583 2.312 ( 1.061 2.454 -2.986) 4.008 2.415 ( 0.669 -0.955 2.392) 2.661 2.551 ( 0.001 9.849 6.534) 11.819 2.609 ( 2.223 -5.108 -1.798) 5.854 2.706 ( 0.274 -3.412 4.379) 5.558 2.802 ( 0.162 -6.569 -6.795) 9.452 2.858 ( -2.268 -1.299 -2.931) 3.927 2.943 ( 0.651 -0.906 5.150) 5.269 2.968 ( -1.664 0.138 0.569) 1.764 3.023 ( 1.042 0.156 4.773) 4.888 3.053 ( 0.593 -0.465 3.036) 3.128 3.117 ( 0.314 0.280 0.242) 0.485 3.167 ( -1.738 0.256 -3.821) 4.206 3.204 ( -5.361 0.209 -0.546) 5.393 3.234 ( 3.788 -0.699 -1.055) 3.994 3.353 ( -0.495 6.844 2.218) 7.212 3.425 ( 2.772 -1.745 -3.514) 4.804 3.530 ( -0.718 -1.148 4.521) 4.719 3.676 ( -0.283 -0.270 12.163) 12.169 3.722 ( 0.346 -0.577 0.643) 0.931 3.772 ( 0.521 -0.662 0.595) 1.031 3.806 ( -4.010 -0.847 4.038) 5.753 3.823 ( -0.412 -1.906 10.434) 10.615 3.855 ( -0.054 -1.159 5.543) 5.663 3.929 ( 2.258 -2.445 11.446) 11.920 3.972 ( 1.338 1.788 -0.790) 2.368 4.045 ( 0.412 1.246 3.051) 3.322 4.055 ( 1.905 1.069 -0.150) 2.190 4.252 ( -1.076 2.521 0.820) 2.861 4.331 ( 1.013 -0.778 -10.253) 10.332 4.344 ( -1.296 -0.900 -5.813) 6.023 4.493 ( -0.479 1.837 -0.257) 1.916 4.581 ( 0.163 -2.301 -2.394) 3.325 4.721 ( -0.080 -0.409 0.559) 0.697 4.894 ( -1.608 -0.195 -0.904) 1.855 4.897 ( 0.383 -0.793 -0.144) 0.892 4.987 ( 1.353 2.153 -0.817) 2.671 5.006 ( 1.232 1.156 -7.376) 7.566 5.049 ( -1.523 -2.369 -1.884) 3.388 5.059 ( 0.244 -2.518 -2.819) 3.788 5.098 ( 0.423 0.796 -3.924) 4.027 5.252 ( -2.431 -1.373 -3.879) 4.779 5.353 ( 0.908 -2.454 5.674) 6.248 5.515 ( 1.072 2.133 -7.369) 7.746 5.744 ( -0.352 0.547 -0.736) 0.982 5.961 ( -0.065 0.612 2.438) 2.514 5.979 ( -0.128 -0.081 3.590) 3.593 6.039 ( 0.791 1.762 2.943) 3.520 6.415 ( -0.476 -0.335 -2.219) 2.294 6.459 ( 0.030 0.563 -1.184) 1.312 6.631 ( 1.594 0.489 0.250) 1.686 6.667 ( -0.793 -0.574 -0.139) 0.988 6.721 ( -0.840 -3.070 -0.736) 3.267 6.806 ( 0.836 -1.956 -2.280) 3.118 6.942 ( 0.270 0.409 -0.891) 1.017 6.978 ( -1.328 0.744 -1.112) 1.885 7.237 ( -0.272 1.040 -0.735) 1.302 7.271 ( 0.705 0.821 -0.961) 1.447 7.406 ( -1.094 4.857 8.001) 9.423 7.584 ( 0.539 -3.814 -9.287) 10.054 7.910 ( -1.284 0.905 -1.631) 2.264 8.009 ( -1.843 1.308 1.437) 2.679 8.179 ( 6.728 -3.262 0.702) 7.510 8.458 ( -2.164 -2.269 0.450) 3.168 8.513 ( -3.998 -1.957 1.962) 4.865 8.772 ( 4.478 -4.244 3.192) 6.946 8.850 ( 0.915 3.967 -4.968) 6.423 9.080 ( -3.556 1.616 4.052) 5.628 9.186 ( 1.098 -2.258 -0.788) 2.631 9.209 ( 2.526 -1.178 -1.007) 2.964 9.400 ( -3.822 -7.858 6.814) 11.081 9.491 ( 1.215 12.874 2.587) 13.187 9.927 ( -0.272 3.598 -1.568) 3.934 10.011 ( -0.071 -3.905 -5.474) 6.724 10.099 ( 1.656 3.214 -2.409) 4.345 10.344 ( -7.925 -0.856 8.895) 11.944 10.477 ( 10.459 2.047 0.012) 10.657 10.568 ( -5.982 2.817 -2.200) 6.969 10.868 ( -0.665 -0.535 -0.149) 0.866 11.014 ( 6.454 -0.134 6.567) 9.209 11.213 ( -7.381 -13.360 -6.248) 16.493 11.326 ( 5.442 4.342 1.724) 7.172 11.671 ( -0.539 -2.017 2.038) 2.917 11.784 ( 0.937 7.235 -0.385) 7.306 11.893 ( -3.854 6.951 3.189) 8.564 12.037 ( 1.111 0.357 -3.407) 3.602 12.232 ( 2.117 -0.173 1.880) 2.836 12.442 ( -0.471 -1.735 -6.185) 6.441 12.698 ( -9.589 -2.404 2.048) 10.095 12.739 ( 7.968 -0.897 -0.526) 8.035 12.952 ( 2.408 1.657 -6.105) 6.769 13.132 ( -1.643 5.148 -0.909) 5.479 13.677 ( -0.324 0.212 3.756) 3.775 13.717 ( -1.763 -2.199 -0.281) 2.833 13.816 ( 1.676 0.040 -6.214) 6.436 14.181 ( 1.338 -2.815 0.529) 3.161 14.361 ( -0.444 -4.329 9.655) 10.591 14.436 ( -0.764 0.923 1.919) 2.262 14.546 ( -0.854 -2.076 -0.409) 2.282 14.629 ( 0.568 -0.051 -5.101) 5.133 14.756 ( -0.398 2.091 -15.269) 15.416 14.880 ( 1.695 4.709 0.551) 5.035 14.977 ( -0.747 -1.746 -2.516) 3.152 15.714 ( -0.033 2.889 -1.732) 3.369 16.781 ( 0.315 -1.365 -0.363) 1.447 16.929 ( -0.988 -3.323 3.277) 4.770 16.965 ( 0.296 0.719 -2.048) 2.191 17.304 ( -0.146 7.491 0.135) 7.493 17.354 ( 0.730 -8.539 -3.571) 9.285 17.690 ( -0.350 -9.401 6.490) 11.429 17.793 ( 0.102 8.953 -3.686) 9.683 ======================= Grid point 10 (8/50) ======================= q-point: ( 0.47 -0.03 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( 2.749 -1.480 2.802) 4.195 2.149 ( 2.846 -0.195 4.102) 4.996 2.195 ( -1.472 0.140 0.700) 1.636 2.316 ( 0.483 -2.037 -5.967) 6.323 2.443 ( 3.033 -4.531 -3.610) 6.539 2.471 ( 3.577 -4.401 -1.881) 5.975 2.592 ( 5.054 -6.144 7.506) 10.938 2.709 ( 0.536 1.243 0.183) 1.366 2.884 ( -1.345 6.740 2.832) 7.434 2.929 ( -3.073 0.395 4.045) 5.095 2.958 ( -1.473 1.817 1.835) 2.974 2.991 ( -2.193 0.955 1.739) 2.957 3.024 ( -0.146 -0.533 2.682) 2.739 3.053 ( -7.816 0.099 1.164) 7.903 3.107 ( -6.205 -0.912 -0.063) 6.272 3.121 ( 0.332 3.094 -2.922) 4.269 3.180 ( -0.660 1.189 -3.651) 3.896 3.245 ( 2.184 7.454 0.971) 7.828 3.289 ( 2.080 5.907 2.775) 6.850 3.413 ( 2.576 -3.776 -2.655) 5.286 3.589 ( -9.331 2.565 4.280) 10.581 3.606 ( 0.523 1.505 9.306) 9.441 3.659 ( -4.392 1.361 3.448) 5.747 3.754 ( -0.452 0.896 3.684) 3.818 3.793 ( -0.942 2.077 10.651) 10.893 3.824 ( 0.695 -0.649 -1.123) 1.472 3.843 ( 3.118 0.721 6.721) 7.444 3.907 ( -0.255 -2.407 10.088) 10.374 3.987 ( -2.070 -1.460 -0.976) 2.715 4.048 ( 1.182 0.493 7.558) 7.666 4.192 ( 5.290 -8.219 1.778) 9.935 4.281 ( -0.979 -0.921 -9.574) 9.668 4.320 ( 6.488 -0.067 -1.461) 6.650 4.355 ( 1.162 -0.955 -7.165) 7.321 4.500 ( 1.678 -1.594 -2.646) 3.515 4.520 ( 0.517 -1.750 1.046) 2.104 4.687 ( 0.902 -1.162 0.940) 1.746 4.834 ( -0.691 1.748 0.625) 1.981 4.949 ( 2.180 -3.375 -3.068) 5.055 4.959 ( 2.963 -1.267 2.987) 4.393 5.014 ( -2.379 0.359 -4.829) 5.395 5.027 ( -0.385 -0.625 -7.546) 7.581 5.087 ( 2.320 -0.095 -7.414) 7.769 5.145 ( -3.720 1.304 1.928) 4.388 5.229 ( 1.633 2.949 1.438) 3.665 5.309 ( 0.058 -1.872 3.647) 4.099 5.535 ( -3.110 2.203 -7.901) 8.773 5.744 ( 0.866 -0.650 -0.401) 1.155 5.977 ( 0.246 -0.173 1.982) 2.005 5.983 ( 0.174 0.243 3.165) 3.179 6.038 ( -3.179 2.282 0.583) 3.956 6.456 ( -1.561 1.796 -1.575) 2.853 6.486 ( 1.181 0.336 -0.318) 1.268 6.541 ( 1.674 -3.823 -1.446) 4.417 6.663 ( 1.055 -1.841 0.320) 2.146 6.685 ( -0.262 2.122 -0.078) 2.140 6.794 ( 1.522 -2.854 1.599) 3.608 6.970 ( -2.274 2.567 -0.597) 3.481 6.981 ( -1.944 2.643 -1.669) 3.681 7.241 ( 0.706 -0.828 -1.898) 2.188 7.277 ( 2.103 -2.541 -1.379) 3.575 7.473 ( -4.142 4.839 5.962) 8.725 7.576 ( 1.797 -0.224 -9.989) 10.152 7.912 ( -0.081 2.734 -0.237) 2.746 8.014 ( -3.693 -0.068 -1.189) 3.880 8.191 ( -1.908 0.883 3.761) 4.309 8.366 ( 4.283 -3.659 1.445) 5.815 8.497 ( 3.161 -7.631 6.698) 10.634 8.698 ( 8.611 -4.953 2.192) 10.173 8.947 ( 3.185 2.755 -4.245) 5.979 9.058 ( -4.994 4.097 1.668) 6.671 9.089 ( -2.688 -2.189 3.365) 4.831 9.231 ( 1.736 -5.304 -0.011) 5.581 9.381 ( 7.493 -3.754 0.891) 8.428 9.654 ( -2.645 2.008 6.185) 7.020 9.963 ( 0.166 -0.498 -9.605) 9.619 10.070 ( -9.314 2.804 -2.959) 10.167 10.090 ( -0.844 15.787 -4.134) 16.341 10.222 ( -3.335 -0.285 2.609) 4.243 10.556 ( -0.839 -5.783 0.247) 5.849 10.615 ( 1.886 -4.763 -0.615) 5.160 10.812 ( 1.541 2.030 2.672) 3.693 11.020 ( -1.766 7.743 2.097) 8.214 11.089 ( 11.285 -4.416 -0.140) 12.119 11.289 ( -5.760 -6.675 7.167) 11.362 11.654 ( 5.950 -6.962 3.319) 9.741 11.867 ( -2.026 1.304 1.631) 2.910 11.915 ( 1.589 -0.360 -6.494) 6.696 12.218 ( -0.181 9.071 -13.526) 16.287 12.309 ( -5.373 3.685 4.648) 8.003 12.399 ( -13.309 3.710 4.260) 14.458 12.499 ( 2.205 3.903 -8.570) 9.671 12.815 ( 1.739 -2.349 1.070) 3.112 12.940 ( -2.632 0.360 -3.940) 4.752 13.176 ( 3.300 -1.627 -5.412) 6.545 13.686 ( 0.410 -0.025 4.027) 4.048 13.700 ( 1.851 -0.140 0.925) 2.073 13.802 ( -1.473 -0.363 -6.090) 6.276 14.153 ( 2.384 -3.551 3.345) 5.429 14.316 ( 2.972 -2.497 14.105) 14.629 14.474 ( -0.002 1.058 3.095) 3.270 14.500 ( 0.107 0.028 -1.284) 1.289 14.640 ( -1.000 0.702 -5.243) 5.383 14.770 ( -0.937 1.159 -16.337) 16.405 14.921 ( -0.117 -2.608 -4.311) 5.040 14.963 ( 0.529 1.435 -0.293) 1.557 15.748 ( -1.223 1.256 -5.512) 5.784 16.804 ( -1.674 2.754 8.038) 8.660 16.835 ( -0.795 -0.658 -1.109) 1.515 16.999 ( -0.443 1.201 -3.266) 3.508 17.249 ( 7.445 -7.098 0.818) 10.319 17.465 ( -1.764 -2.209 0.107) 2.829 17.518 ( 3.904 -0.574 5.479) 6.752 17.883 ( -5.205 5.160 -2.929) 7.893 ======================= Grid point 13 (9/50) ======================= q-point: ( 0.47 -0.03 -0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( -4.651 7.342 16.137) 18.328 2.071 ( -12.954 10.353 11.566) 20.218 2.238 ( 1.805 -0.480 1.273) 2.260 2.333 ( -0.212 -1.754 -5.072) 5.371 2.400 ( -2.438 3.466 0.151) 4.240 2.444 ( -3.737 2.702 0.406) 4.630 2.696 ( 1.926 -4.780 0.556) 5.183 2.737 ( 1.605 -0.636 -2.128) 2.740 2.892 ( 0.155 -4.886 0.271) 4.896 2.943 ( 0.282 -0.866 4.188) 4.285 2.957 ( 3.693 3.175 -2.375) 5.418 2.997 ( 1.844 -0.999 4.179) 4.675 3.029 ( 0.197 -2.779 -1.002) 2.960 3.058 ( 0.542 -0.747 2.456) 2.624 3.086 ( 1.213 -0.277 2.258) 2.578 3.125 ( 9.084 1.889 1.221) 9.358 3.157 ( 0.864 -0.938 -4.711) 4.881 3.277 ( -4.838 0.433 -1.847) 5.196 3.345 ( 1.893 -0.451 -1.544) 2.484 3.375 ( -5.431 -5.161 -1.859) 7.719 3.553 ( 8.514 -7.642 3.865) 12.076 3.642 ( -0.692 0.241 11.823) 11.846 3.691 ( 9.488 -2.277 -0.535) 9.773 3.737 ( 1.818 -2.538 1.221) 3.352 3.783 ( 0.182 0.147 4.691) 4.697 3.845 ( 0.392 0.101 3.503) 3.527 3.890 ( -2.144 -0.005 17.044) 17.178 3.907 ( 1.229 0.179 3.995) 4.184 3.989 ( 0.427 -0.470 6.362) 6.394 4.023 ( -0.954 0.199 -1.419) 1.722 4.187 ( -9.067 4.698 2.779) 10.584 4.232 ( -5.205 6.514 -5.164) 9.808 4.324 ( 1.831 -1.995 -7.899) 8.351 4.377 ( -0.436 -0.070 -4.847) 4.867 4.470 ( -1.900 3.410 0.436) 3.928 4.566 ( -1.144 1.793 -3.197) 3.840 4.703 ( -0.637 0.496 -0.455) 0.927 4.864 ( 1.308 -0.683 -2.493) 2.897 4.916 ( -1.218 1.873 -1.061) 2.473 4.951 ( -0.453 -1.818 0.468) 1.932 5.017 ( -0.578 1.893 -3.979) 4.444 5.044 ( -0.704 0.413 -5.837) 5.894 5.075 ( -1.436 1.647 -6.132) 6.509 5.181 ( 2.688 -4.851 -2.494) 6.081 5.276 ( 4.156 1.398 -1.883) 4.772 5.358 ( 0.829 -3.162 2.098) 3.884 5.482 ( -0.082 -1.417 -6.822) 6.968 5.738 ( -1.251 1.901 0.204) 2.285 5.954 ( -0.219 0.297 3.892) 3.909 5.981 ( -1.043 0.416 3.299) 3.485 6.005 ( 1.634 -1.866 3.956) 4.670 6.444 ( -0.254 -0.645 -0.259) 0.740 6.504 ( 2.466 3.089 -1.278) 4.154 6.544 ( -3.213 -2.584 -2.277) 4.711 6.663 ( 0.388 0.652 -0.472) 0.894 6.717 ( 0.278 -0.330 -2.439) 2.477 6.862 ( -0.564 1.217 -4.669) 4.858 6.946 ( 2.773 -3.817 0.468) 4.742 6.982 ( 3.134 -1.600 -0.887) 3.629 7.217 ( -1.757 2.133 0.305) 2.780 7.256 ( -3.427 3.110 0.972) 4.729 7.374 ( -0.661 0.917 7.391) 7.477 7.639 ( 1.007 -2.512 -7.658) 8.122 7.925 ( -0.465 -1.264 -1.248) 1.837 8.011 ( 7.223 1.155 -0.877) 7.368 8.197 ( -4.181 -8.517 1.895) 9.676 8.401 ( 3.103 4.138 -1.978) 5.538 8.589 ( 0.337 9.022 -1.906) 9.228 8.756 ( -5.392 -4.649 -3.433) 7.904 8.871 ( -4.609 -3.114 1.550) 5.774 9.074 ( 0.647 9.200 4.222) 10.143 9.134 ( 1.542 -3.662 -2.459) 4.673 9.234 ( -2.232 1.061 -0.885) 2.625 9.391 ( -4.400 5.617 2.446) 7.543 9.510 ( -1.679 3.603 9.448) 10.251 9.949 ( 1.160 -6.175 7.187) 9.546 9.996 ( 3.563 -3.540 0.534) 5.051 10.154 ( 1.343 -10.187 -13.434) 16.913 10.221 ( 7.588 5.077 3.112) 9.646 10.495 ( 1.545 8.642 8.221) 12.027 10.528 ( -5.476 1.413 3.542) 6.673 10.875 ( -4.876 0.159 -2.819) 5.635 11.021 ( 0.190 -7.190 1.448) 7.337 11.175 ( -4.184 0.216 -4.913) 6.457 11.453 ( 7.118 9.063 -10.487) 15.581 11.599 ( -3.716 -4.586 10.242) 11.821 11.718 ( -2.996 6.736 2.610) 7.820 11.841 ( -2.653 2.702 7.047) 7.999 12.085 ( 1.228 -5.647 -0.545) 5.805 12.327 ( 1.788 -3.102 6.902) 7.775 12.443 ( 6.810 -6.428 -6.447) 11.369 12.585 ( 6.426 -2.232 -6.990) 9.754 12.865 ( 1.502 3.061 -1.532) 3.738 12.907 ( -6.010 -3.234 -3.637) 7.734 13.032 ( -4.443 7.391 5.642) 10.305 13.676 ( -0.230 0.429 3.812) 3.843 13.756 ( 2.922 0.671 -2.974) 4.223 13.804 ( -1.727 -1.596 -6.296) 6.721 14.211 ( -2.081 0.708 -2.282) 3.169 14.430 ( 2.149 -1.032 7.130) 7.518 14.438 ( 1.346 -1.535 4.686) 5.111 14.555 ( 3.206 -1.698 -3.783) 5.242 14.647 ( -0.949 -0.132 -4.481) 4.582 14.724 ( -1.394 2.559 -12.034) 12.382 14.808 ( -3.267 1.424 -2.453) 4.326 14.998 ( -0.087 0.381 0.140) 0.415 15.681 ( -1.562 1.595 1.357) 2.612 16.815 ( 2.357 -3.596 0.822) 4.377 16.921 ( 2.760 0.258 -0.747) 2.871 16.993 ( 2.436 -3.718 -6.572) 7.935 17.215 ( -6.648 6.022 2.795) 9.396 17.524 ( 0.253 0.045 -4.534) 4.541 17.621 ( -3.458 3.213 -4.424) 6.469 17.791 ( 6.250 -6.134 6.582) 10.955 ======================= Grid point 14 (10/50) ======================= q-point: (-0.29 -0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( 1.623 -7.361 -20.687) 22.017 1.640 ( -1.536 -24.275 -17.365) 29.886 2.203 ( -0.161 0.751 -3.899) 3.974 2.352 ( 1.336 0.860 0.152) 1.596 2.410 ( -1.352 -1.634 0.277) 2.138 2.449 ( -0.062 -0.402 1.789) 1.835 2.588 ( -0.003 0.061 -18.912) 18.912 2.713 ( -0.072 6.032 -3.321) 6.887 2.849 ( -1.115 6.027 -5.191) 8.032 2.884 ( -0.888 1.384 -3.241) 3.634 2.911 ( -1.089 0.178 -7.464) 7.545 2.942 ( 0.288 4.211 -2.805) 5.068 2.969 ( 1.247 -0.922 -4.694) 4.943 3.031 ( 2.716 -2.770 -3.425) 5.174 3.115 ( 0.154 -2.704 -0.468) 2.749 3.134 ( -0.524 -0.764 -6.560) 6.625 3.175 ( 0.635 -2.500 1.951) 3.235 3.256 ( 0.751 1.297 -16.189) 16.258 3.326 ( -3.029 1.987 -4.450) 5.738 3.353 ( 3.655 5.404 3.845) 7.573 3.410 ( -1.949 1.117 -9.258) 9.527 3.455 ( -0.964 -0.734 -3.855) 4.041 3.533 ( -2.051 3.729 -12.273) 12.990 3.572 ( 1.414 1.710 -8.587) 8.869 3.686 ( -0.335 -2.442 -4.421) 5.062 3.793 ( 1.096 0.895 0.812) 1.632 3.875 ( 0.023 -1.059 1.448) 1.794 3.893 ( 5.759 3.262 2.311) 7.011 3.963 ( -0.893 2.428 3.605) 4.437 4.125 ( -11.459 1.957 3.226) 12.065 4.157 ( 4.747 -1.188 2.820) 5.648 4.186 ( 0.233 0.496 3.342) 3.387 4.390 ( 0.545 0.749 -0.808) 1.229 4.421 ( -0.403 -1.494 0.546) 1.641 4.466 ( 1.573 -4.265 2.272) 5.082 4.621 ( 0.055 -6.111 3.718) 7.154 4.714 ( -0.131 0.242 2.210) 2.227 4.924 ( -0.342 -1.795 -0.938) 2.054 4.943 ( 2.071 1.631 1.463) 3.015 4.961 ( -1.247 0.449 2.469) 2.802 5.132 ( -0.616 0.530 3.532) 3.625 5.144 ( -1.594 2.460 4.604) 5.458 5.168 ( 2.490 1.056 3.665) 4.555 5.219 ( 0.148 3.269 0.816) 3.373 5.406 ( -4.156 2.411 7.384) 8.809 5.441 ( 4.703 -0.011 8.562) 9.769 5.617 ( -2.056 1.361 3.487) 4.270 5.715 ( 1.549 -4.883 1.042) 5.227 5.855 ( -1.412 -1.632 -5.967) 6.346 5.862 ( 0.791 -1.406 -6.363) 6.564 5.927 ( -0.353 1.303 -4.073) 4.291 6.441 ( 0.054 -1.278 0.640) 1.430 6.556 ( 2.424 3.637 4.700) 6.418 6.610 ( -2.970 -1.631 2.828) 4.414 6.711 ( -0.142 3.137 1.895) 3.668 6.790 ( 0.128 -0.708 3.377) 3.453 6.934 ( -2.218 2.993 0.144) 3.729 6.973 ( 3.064 -2.009 3.417) 5.010 7.066 ( 0.209 5.748 4.599) 7.365 7.201 ( 0.042 -3.351 0.916) 3.474 7.209 ( 1.658 -2.751 -0.449) 3.244 7.283 ( -1.554 -1.952 -0.221) 2.505 7.670 ( -0.479 -4.755 -2.735) 5.506 7.981 ( -2.756 8.699 3.055) 9.623 8.047 ( 4.968 3.883 4.204) 7.578 8.338 ( -8.401 6.162 3.118) 10.875 8.413 ( 7.864 -7.385 0.429) 10.797 8.600 ( 2.953 6.795 1.919) 7.653 8.715 ( -9.364 -0.377 -2.113) 9.606 8.917 ( -0.562 0.222 6.257) 6.286 8.966 ( 7.668 -0.204 -4.505) 8.896 9.105 ( -1.033 -10.679 -3.632) 11.327 9.182 ( -0.365 -2.202 -6.614) 6.981 9.311 ( -5.527 3.063 1.098) 6.414 9.418 ( 5.281 -6.316 3.759) 9.051 9.822 ( -2.905 1.023 -6.824) 7.487 9.908 ( -1.308 -1.991 -10.471) 10.739 9.990 ( 5.537 -4.225 -13.403) 15.104 10.307 ( 0.215 3.109 -4.764) 5.692 10.465 ( -4.559 1.920 4.765) 6.869 10.628 ( 6.166 1.928 5.971) 8.797 10.821 ( -4.069 -3.361 -2.395) 5.795 11.022 ( -0.306 -6.607 2.823) 7.191 11.253 ( -2.264 10.459 -4.845) 11.747 11.365 ( 0.249 4.474 -10.525) 11.439 11.492 ( 3.135 -6.718 -5.553) 9.263 11.657 ( 0.048 -1.925 -7.570) 7.811 11.849 ( 0.037 -9.126 22.541) 24.318 12.150 ( 0.213 5.920 -0.984) 6.005 12.222 ( -1.834 0.879 -3.921) 4.417 12.429 ( 0.756 -3.115 -9.800) 10.311 12.741 ( 0.355 0.660 8.739) 8.771 12.863 ( 1.918 0.279 5.900) 6.210 12.927 ( -2.224 -6.270 1.827) 6.899 13.107 ( -0.106 0.415 2.604) 2.639 13.697 ( -0.098 1.057 4.774) 4.890 13.792 ( 2.129 4.220 -0.334) 4.738 13.880 ( -1.952 -3.334 2.119) 4.406 14.270 ( 0.855 6.999 0.796) 7.096 14.351 ( -2.978 4.037 -1.850) 5.346 14.403 ( 2.637 -1.286 2.633) 3.942 14.610 ( 1.891 0.829 1.150) 2.363 14.686 ( -2.398 0.047 -5.825) 6.299 14.807 ( -0.146 -0.809 9.210) 9.247 14.949 ( 0.557 -9.734 4.572) 10.769 15.191 ( -0.160 0.970 22.725) 22.747 15.651 ( -0.118 -3.934 1.218) 4.120 16.898 ( -4.696 5.802 2.183) 7.777 16.941 ( 7.553 3.933 -0.316) 8.521 17.097 ( -3.884 4.319 6.571) 8.770 17.236 ( 1.231 -6.527 6.095) 9.015 17.554 ( -0.767 6.981 1.111) 7.110 17.677 ( 1.489 1.471 -4.454) 4.921 17.711 ( -0.845 -3.312 -0.363) 3.438 ======================= Grid point 16 (11/50) ======================= q-point: (-0.29 -0.04 0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( 11.927 9.260 -15.099) 21.353 2.068 ( -2.343 -2.171 -8.325) 8.917 2.212 ( 8.946 2.233 -3.975) 10.041 2.386 ( 0.206 -0.208 1.067) 1.106 2.431 ( 2.695 -1.794 -4.469) 5.519 2.435 ( 4.128 8.691 -1.625) 9.758 2.589 ( 0.411 1.993 -11.380) 11.560 2.625 ( -1.012 -0.093 1.106) 1.502 2.713 ( -5.064 1.054 -9.270) 10.616 2.874 ( -1.828 0.164 -8.663) 8.855 2.878 ( -1.020 -0.901 -6.297) 6.442 2.904 ( 1.002 0.895 -5.370) 5.535 2.981 ( -1.342 -0.790 -1.025) 1.864 3.012 ( -7.922 -2.375 3.556) 9.002 3.081 ( 2.552 -3.315 -0.208) 4.188 3.149 ( -2.767 1.834 -12.802) 13.225 3.208 ( 2.437 -1.796 -13.803) 14.131 3.261 ( -2.917 -6.962 -0.744) 7.585 3.292 ( 2.752 1.483 -7.043) 7.705 3.320 ( -1.446 -4.760 2.008) 5.365 3.357 ( -5.012 -3.965 2.450) 6.844 3.409 ( 2.279 -1.458 -3.385) 4.333 3.465 ( -0.059 0.170 -16.614) 16.615 3.487 ( -2.157 -0.454 -10.871) 11.092 3.678 ( 5.511 -7.537 -1.302) 9.427 3.727 ( 0.075 -4.169 -0.783) 4.243 3.791 ( -0.876 3.301 2.224) 4.076 3.877 ( 0.278 0.731 3.446) 3.534 4.015 ( 0.364 -2.692 0.245) 2.727 4.108 ( -0.731 2.570 4.132) 4.921 4.150 ( -1.643 9.412 -3.097) 10.044 4.318 ( 0.108 3.354 -2.100) 3.958 4.416 ( 2.210 4.386 2.158) 5.364 4.454 ( 0.847 0.767 2.102) 2.392 4.566 ( 0.838 1.651 4.177) 4.568 4.620 ( -3.122 -2.861 3.258) 5.343 4.703 ( -1.281 -0.497 -0.137) 1.381 4.874 ( -3.918 -1.068 1.469) 4.318 4.955 ( -0.370 0.778 -0.991) 1.313 5.002 ( 2.174 0.250 -0.845) 2.346 5.083 ( -1.357 2.270 4.192) 4.956 5.099 ( -1.276 0.251 2.417) 2.744 5.168 ( -0.206 0.590 2.116) 2.206 5.218 ( 0.365 -0.082 5.530) 5.542 5.280 ( -1.795 -4.303 5.471) 7.188 5.493 ( -4.625 4.417 10.948) 12.679 5.599 ( 3.274 -1.263 5.455) 6.486 5.775 ( -0.252 -0.119 0.222) 0.357 5.869 ( 1.806 -1.091 -6.440) 6.777 5.891 ( 0.142 -0.987 -5.968) 6.051 5.909 ( 3.221 -0.249 -2.824) 4.291 6.448 ( 0.078 -3.241 1.121) 3.430 6.553 ( -1.210 3.591 4.722) 6.055 6.591 ( 2.886 0.298 0.077) 2.903 6.683 ( -2.194 -0.462 0.687) 2.345 6.770 ( -1.870 -2.431 3.710) 4.814 6.835 ( -3.712 1.365 1.980) 4.423 6.922 ( -0.190 -2.257 -0.050) 2.265 7.038 ( 0.173 -2.414 3.688) 4.411 7.252 ( 2.020 -2.441 -3.193) 4.498 7.295 ( 1.035 1.710 2.973) 3.582 7.318 ( 2.488 1.715 -1.114) 3.221 7.825 ( 3.885 5.376 8.891) 11.092 7.974 ( 2.148 2.306 -1.067) 3.327 8.005 ( -6.422 -5.651 3.472) 9.232 8.073 ( -2.832 3.259 2.861) 5.179 8.420 ( -2.572 -0.466 -2.840) 3.860 8.546 ( -9.345 0.120 -4.474) 10.361 8.668 ( 4.407 1.588 -4.297) 6.357 8.929 ( -2.880 -0.840 -1.160) 3.216 8.955 ( 2.892 -2.896 0.579) 4.134 9.184 ( -2.282 -3.755 3.145) 5.404 9.264 ( -2.477 8.673 -2.090) 9.259 9.337 ( 2.966 5.121 -6.295) 8.639 9.542 ( 1.301 1.428 -1.142) 2.244 9.863 ( 6.776 -2.906 -4.089) 8.430 10.003 ( 8.699 -0.171 2.245) 8.986 10.148 ( -5.102 -1.678 -2.411) 5.887 10.253 ( 5.417 -1.888 -9.655) 11.231 10.406 ( 0.789 5.535 3.217) 6.450 10.590 ( 1.044 -2.930 -0.875) 3.231 10.797 ( -3.337 -8.043 0.676) 8.734 10.983 ( 2.773 0.149 3.034) 4.113 11.084 ( -3.529 -5.621 -4.302) 7.909 11.291 ( -4.374 1.539 -8.625) 9.792 11.616 ( -2.820 3.406 -9.840) 10.788 11.730 ( -0.691 6.664 -13.580) 15.143 12.007 ( -5.247 0.132 0.435) 5.267 12.189 ( 15.559 5.185 18.054) 24.391 12.237 ( 2.588 2.386 2.094) 4.096 12.448 ( 2.638 -6.256 1.247) 6.903 12.740 ( -0.472 -5.043 8.002) 9.470 12.847 ( -5.945 7.016 4.843) 10.393 12.981 ( 1.734 -3.342 5.780) 6.898 13.123 ( 7.613 -3.852 -1.553) 8.672 13.730 ( 2.146 1.234 8.368) 8.726 13.744 ( -2.464 2.871 -3.893) 5.429 13.862 ( -3.647 -2.017 2.521) 4.871 14.132 ( -1.732 -1.751 -1.208) 2.743 14.246 ( -6.204 1.183 -4.460) 7.732 14.433 ( 0.513 -2.379 -0.639) 2.516 14.597 ( -2.490 1.991 4.428) 5.456 14.691 ( 2.458 0.484 -1.575) 2.959 14.845 ( 0.839 0.068 6.277) 6.333 15.116 ( 5.203 0.876 9.494) 10.861 15.172 ( -0.641 -0.141 20.645) 20.655 15.771 ( 5.966 1.293 3.788) 7.184 16.668 ( -4.337 -6.755 -4.331) 9.122 16.972 ( -4.734 -0.282 6.119) 7.742 17.037 ( -1.160 7.641 -0.712) 7.761 17.284 ( 0.073 -3.238 1.445) 3.546 17.408 ( -3.926 -0.242 -6.675) 7.748 17.613 ( -4.590 2.833 3.480) 6.419 17.817 ( 6.955 -3.154 2.588) 8.064 ======================= Grid point 17 (12/50) ======================= q-point: (-0.29 -0.04 -0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( -9.674 -10.147 -15.849) 21.160 2.142 ( 5.357 3.269 -5.617) 8.422 2.227 ( -4.658 -13.128 -2.659) 14.182 2.337 ( -2.974 0.697 -7.022) 7.657 2.388 ( -0.754 -1.705 2.060) 2.779 2.489 ( -2.587 -5.378 -3.573) 6.955 2.578 ( -1.145 3.047 -11.352) 11.810 2.690 ( -1.157 1.862 -6.356) 6.723 2.753 ( -0.047 -2.446 -6.059) 6.534 2.877 ( -0.640 3.446 -4.519) 5.719 2.887 ( -0.882 0.561 -1.765) 2.051 2.912 ( -1.623 1.472 -7.499) 7.813 2.949 ( 0.803 3.725 2.776) 4.714 3.011 ( 0.040 5.188 -0.799) 5.249 3.037 ( 7.612 -3.500 -2.788) 8.830 3.131 ( -1.429 0.827 -12.781) 12.888 3.149 ( 1.509 -0.949 -1.974) 2.660 3.227 ( 9.085 6.614 1.557) 11.345 3.238 ( 1.704 -0.693 -8.097) 8.303 3.353 ( 0.954 1.539 -6.858) 7.093 3.392 ( 1.118 2.290 -10.551) 10.854 3.444 ( -0.911 1.063 -12.096) 12.176 3.473 ( -1.620 3.434 -5.910) 7.025 3.522 ( 2.741 -5.700 -3.340) 7.152 3.647 ( 4.823 -5.328 -3.224) 7.877 3.685 ( 4.309 1.502 1.406) 4.775 3.856 ( 0.922 -0.668 2.799) 3.021 3.863 ( -2.394 -1.921 2.098) 3.718 3.966 ( -0.512 1.314 -0.395) 1.464 4.125 ( -0.122 1.429 4.228) 4.465 4.231 ( -2.095 -0.846 -3.315) 4.012 4.336 ( -2.670 0.524 -0.350) 2.744 4.390 ( -7.322 0.356 2.001) 7.599 4.469 ( -1.759 -1.343 3.806) 4.403 4.532 ( -2.735 -2.365 1.763) 4.022 4.628 ( 3.582 4.239 5.007) 7.474 4.702 ( 0.404 1.114 -0.365) 1.240 4.855 ( 0.613 3.649 0.457) 3.728 4.945 ( -1.808 0.340 1.670) 2.484 4.988 ( -0.725 -2.663 -3.721) 4.633 5.094 ( -0.763 3.024 3.096) 4.395 5.122 ( 0.731 -0.955 2.558) 2.826 5.145 ( -0.657 1.990 1.475) 2.563 5.200 ( -1.294 -1.278 5.661) 5.946 5.308 ( 4.952 2.275 7.936) 9.627 5.464 ( -4.732 2.248 9.968) 11.261 5.632 ( 1.275 -0.902 4.852) 5.098 5.761 ( 0.015 -1.208 0.537) 1.322 5.860 ( 0.715 -1.425 -6.614) 6.803 5.891 ( -0.264 0.528 -3.721) 3.767 5.939 ( 2.529 -3.225 -4.453) 6.051 6.458 ( 3.739 0.314 1.669) 4.107 6.519 ( -4.294 -1.411 2.958) 5.402 6.642 ( 1.692 -0.377 0.480) 1.799 6.684 ( -1.940 -1.011 1.601) 2.711 6.709 ( 1.993 5.639 2.480) 6.474 6.887 ( 0.940 4.585 2.655) 5.381 6.946 ( 3.839 -1.128 2.520) 4.729 6.979 ( -1.235 -0.775 1.791) 2.309 7.224 ( 0.226 -2.043 -3.712) 4.243 7.309 ( -0.866 -4.110 1.990) 4.648 7.330 ( -0.434 0.404 0.619) 0.857 7.801 ( -7.512 1.846 6.974) 10.415 7.908 ( 0.843 -0.457 1.315) 1.628 8.017 ( -1.122 -2.724 3.902) 4.889 8.198 ( 8.932 5.447 -0.327) 10.467 8.358 ( -5.609 -0.102 -2.153) 6.009 8.543 ( -3.816 8.613 -1.024) 9.476 8.741 ( 4.787 0.461 -3.452) 5.920 8.877 ( 2.735 -1.055 -6.283) 6.934 9.041 ( -0.340 -0.417 2.954) 3.002 9.101 ( -0.435 1.508 0.556) 1.665 9.280 ( -6.283 -0.538 -2.180) 6.672 9.384 ( -5.316 5.160 -1.724) 7.607 9.481 ( 0.982 -8.132 -2.616) 8.599 9.875 ( -0.201 -1.731 -0.742) 1.894 9.976 ( 3.168 -8.004 -7.313) 11.295 10.087 ( -6.810 -4.803 -5.667) 10.077 10.203 ( 3.527 4.954 1.460) 6.254 10.495 ( 2.595 -6.151 -0.734) 6.717 10.619 ( -1.851 -5.870 5.251) 8.091 10.827 ( 8.427 9.929 0.240) 13.025 10.985 ( 5.451 -1.875 -3.624) 6.809 11.104 ( 4.385 4.543 -2.631) 6.840 11.258 ( -3.410 2.349 -7.517) 8.582 11.636 ( -2.248 2.730 -10.064) 10.668 11.662 ( -8.775 -0.075 -11.620) 14.561 12.039 ( -0.432 5.333 -3.400) 6.339 12.179 ( -5.193 -13.496 15.933) 21.517 12.285 ( -1.407 -4.996 4.880) 7.125 12.438 ( 6.350 -2.843 3.388) 7.739 12.672 ( 0.300 3.864 5.109) 6.413 12.871 ( -3.008 1.260 6.677) 7.430 13.024 ( 4.136 1.807 2.149) 4.999 13.110 ( 3.578 -9.015 3.016) 10.157 13.689 ( -2.734 -0.048 4.118) 4.943 13.737 ( -2.291 1.323 1.726) 3.158 13.911 ( 2.888 2.529 0.875) 3.937 14.122 ( 1.155 1.572 -3.426) 3.943 14.265 ( -0.367 7.976 -1.699) 8.163 14.395 ( 0.429 -1.836 -2.309) 2.980 14.574 ( -2.039 0.807 3.023) 3.734 14.753 ( 2.546 -1.640 -1.511) 3.384 14.822 ( -2.151 0.214 8.575) 8.843 15.106 ( -0.935 -5.251 7.957) 9.579 15.183 ( 0.377 0.330 21.433) 21.439 15.779 ( -1.000 -6.091 4.514) 7.647 16.665 ( 7.124 4.768 -5.488) 10.179 16.908 ( -4.783 2.779 2.706) 6.158 17.116 ( -3.495 3.663 6.182) 7.991 17.258 ( 2.934 -0.865 -1.391) 3.360 17.430 ( 1.819 3.988 -7.712) 8.871 17.599 ( -3.739 4.309 4.683) 7.381 17.818 ( 3.120 -6.799 2.522) 7.894 ======================= Grid point 18 (13/50) ======================= q-point: (-0.06 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.470 ( -0.000 0.000 -23.970) 23.970 0.470 ( -0.000 0.000 -23.970) 23.970 1.014 ( -0.000 0.000 -50.159) 50.159 2.104 ( -0.000 0.000 -11.924) 11.924 2.111 ( -0.000 0.000 -2.031) 2.031 2.396 ( -0.000 0.000 -4.013) 4.013 2.396 ( -0.000 0.000 -4.013) 4.013 2.490 ( -0.000 0.000 -6.172) 6.172 2.490 ( -0.000 0.000 -6.172) 6.172 2.605 ( -0.000 0.000 -7.355) 7.355 2.618 ( -0.000 0.000 -4.824) 4.824 2.716 ( -0.000 0.000 -1.075) 1.075 2.804 ( -0.000 0.000 -0.475) 0.475 2.804 ( -0.000 0.000 -0.475) 0.475 3.008 ( 0.000 -0.000 0.347) 0.347 3.008 ( 0.000 -0.000 0.347) 0.347 3.072 ( -0.000 0.000 -0.675) 0.675 3.075 ( -0.000 0.000 -3.963) 3.963 3.234 ( -0.000 0.000 -3.752) 3.752 3.234 ( -0.000 0.000 -3.752) 3.752 3.425 ( -0.000 0.000 -0.485) 0.485 3.517 ( 0.000 -0.000 0.643) 0.643 3.517 ( 0.000 -0.000 0.643) 0.643 3.542 ( 0.000 -0.000 2.234) 2.234 3.624 ( 0.000 -0.000 5.938) 5.938 3.888 ( 0.000 -0.000 1.081) 1.081 3.896 ( 0.000 -0.000 1.561) 1.561 4.084 ( 0.000 -0.000 0.978) 0.978 4.103 ( 0.000 -0.000 2.038) 2.038 4.183 ( -0.000 0.000 -4.258) 4.258 4.257 ( 0.000 -0.000 1.230) 1.230 4.257 ( 0.000 -0.000 1.230) 1.230 4.406 ( 0.000 -0.000 0.609) 0.609 4.406 ( 0.000 -0.000 0.609) 0.609 4.438 ( 0.000 -0.000 0.077) 0.077 4.627 ( 0.000 -0.000 0.292) 0.292 4.775 ( -0.000 0.000 -2.055) 2.055 4.906 ( 0.000 -0.000 4.312) 4.312 5.017 ( -0.000 0.000 -4.012) 4.012 5.049 ( 0.000 -0.000 1.870) 1.870 5.049 ( 0.000 -0.000 1.870) 1.870 5.276 ( 0.000 -0.000 1.562) 1.562 5.276 ( 0.000 -0.000 1.562) 1.562 5.441 ( 0.000 -0.000 7.308) 7.308 5.456 ( -0.000 0.000 -5.009) 5.009 5.456 ( -0.000 0.000 -5.009) 5.009 5.615 ( 0.000 -0.000 0.138) 0.138 5.671 ( -0.000 0.000 -3.280) 3.280 5.761 ( 0.000 -0.000 0.716) 0.716 5.761 ( 0.000 -0.000 0.716) 0.716 5.990 ( 0.000 -0.000 2.965) 2.965 6.441 ( 0.000 -0.000 0.515) 0.515 6.762 ( 0.000 -0.000 2.952) 2.952 6.762 ( 0.000 -0.000 2.952) 2.952 6.783 ( -0.000 0.000 -3.379) 3.379 6.898 ( 0.000 -0.000 1.941) 1.941 6.898 ( 0.000 -0.000 1.941) 1.941 7.138 ( 0.000 -0.000 3.977) 3.977 7.235 ( 0.000 -0.000 1.550) 1.550 7.235 ( 0.000 -0.000 1.550) 1.550 7.256 ( -0.000 0.000 -1.694) 1.694 7.332 ( 0.000 -0.000 3.406) 3.406 7.577 ( 0.000 -0.000 1.199) 1.199 8.282 ( 0.000 -0.000 2.711) 2.711 8.282 ( 0.000 -0.000 2.711) 2.711 8.314 ( 0.000 -0.000 0.276) 0.276 8.388 ( 0.000 -0.000 2.389) 2.389 8.690 ( -0.000 0.000 -2.165) 2.165 8.690 ( -0.000 0.000 -2.165) 2.165 8.816 ( -0.000 0.000 -3.540) 3.540 8.872 ( 0.000 -0.000 0.230) 0.230 9.115 ( 0.000 -0.000 0.102) 0.102 9.115 ( 0.000 -0.000 0.102) 0.102 9.147 ( -0.000 0.000 -8.544) 8.544 9.419 ( 0.000 -0.000 1.842) 1.842 9.660 ( 0.000 -0.000 3.057) 3.057 9.660 ( 0.000 -0.000 3.057) 3.057 9.882 ( 0.000 -0.000 6.993) 6.993 10.179 ( -0.000 0.000 -2.797) 2.797 10.393 ( -0.000 0.000 -5.899) 5.899 10.578 ( -0.000 0.000 -7.280) 7.280 10.578 ( -0.000 0.000 -7.280) 7.280 10.723 ( -0.000 0.000 -7.065) 7.065 11.011 ( -0.000 0.000 -5.955) 5.955 11.308 ( -0.000 0.000 -0.736) 0.736 11.308 ( -0.000 0.000 -0.736) 0.736 11.623 ( 0.000 -0.000 2.327) 2.327 11.937 ( -0.000 0.000 -6.982) 6.982 11.937 ( -0.000 0.000 -6.982) 6.982 12.213 ( 0.000 -0.000 0.423) 0.423 12.366 ( 0.000 -0.000 4.557) 4.557 12.894 ( 0.000 -0.000 0.195) 0.195 12.894 ( 0.000 -0.000 0.195) 0.195 13.090 ( 0.000 -0.000 0.558) 0.558 13.679 ( 0.000 -0.000 22.387) 22.387 13.741 ( -0.000 0.000 -5.773) 5.773 13.840 ( 0.000 -0.000 2.660) 2.660 13.840 ( 0.000 -0.000 2.660) 2.660 14.175 ( -0.000 0.000 -8.414) 8.414 14.333 ( -0.000 0.000 -3.504) 3.504 14.333 ( -0.000 0.000 -3.504) 3.504 14.502 ( -0.000 0.000 -1.016) 1.016 14.699 ( 0.000 -0.000 3.001) 3.001 15.191 ( 0.000 -0.000 7.362) 7.362 15.191 ( 0.000 -0.000 7.362) 7.362 16.027 ( 0.000 -0.000 12.481) 12.481 16.040 ( 0.000 -0.000 18.963) 18.963 17.062 ( 0.000 -0.000 1.771) 1.771 17.062 ( 0.000 -0.000 1.771) 1.771 17.089 ( -0.000 0.000 -20.445) 20.445 17.231 ( 0.000 -0.000 0.908) 0.908 17.589 ( 0.000 -0.000 8.103) 8.103 17.791 ( 0.000 -0.000 3.592) 3.592 17.791 ( 0.000 -0.000 3.592) 3.592 ======================= Grid point 19 (14/50) ======================= q-point: (-0.06 -0.06 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( 20.161 13.848 -12.334) 27.393 1.164 ( 7.798 7.933 -41.678) 43.137 1.376 ( 29.015 33.764 -6.520) 44.993 1.943 ( -8.815 -8.317 -18.093) 21.777 2.050 ( -6.327 -4.669 -2.655) 8.299 2.317 ( -1.391 -2.469 -2.115) 3.536 2.388 ( 5.100 -3.908 -7.311) 9.733 2.465 ( -3.174 3.349 -2.127) 5.081 2.490 ( -0.445 1.086 -6.427) 6.533 2.581 ( -1.611 -1.979 -1.298) 2.862 2.722 ( 3.593 2.491 -1.396) 4.589 2.742 ( 3.978 3.485 -4.621) 7.023 2.813 ( -9.484 2.613 -1.189) 9.909 2.853 ( 1.231 -2.213 0.306) 2.551 2.918 ( -1.843 -2.827 -4.626) 5.726 2.931 ( 1.347 -0.971 -4.149) 4.469 3.013 ( 3.474 -5.423 0.141) 6.441 3.022 ( -7.534 -5.491 -5.836) 10.999 3.162 ( 0.541 3.543 0.239) 3.592 3.363 ( -6.141 -3.368 1.608) 7.186 3.376 ( 3.264 2.495 -0.711) 4.170 3.511 ( -5.278 -5.958 2.282) 8.280 3.526 ( 1.328 0.981 1.814) 2.452 3.563 ( 1.990 2.365 -0.082) 3.092 3.673 ( 1.851 -0.210 4.067) 4.474 3.794 ( -4.897 -8.556 2.330) 10.130 3.881 ( -1.722 -0.657 0.444) 1.895 3.953 ( -0.649 -2.445 1.667) 3.029 4.046 ( -1.655 -1.483 0.700) 2.330 4.145 ( -0.878 1.249 -0.789) 1.718 4.192 ( -1.648 -0.613 0.315) 1.786 4.263 ( -4.825 -0.138 -3.130) 5.753 4.362 ( 2.800 4.202 -0.879) 5.125 4.508 ( 2.166 2.758 0.490) 3.540 4.556 ( 5.968 3.265 0.778) 6.847 4.660 ( 0.854 -0.054 -1.075) 1.374 4.824 ( 2.357 2.747 -0.114) 3.621 4.873 ( -3.879 -0.245 2.702) 4.734 4.935 ( 2.548 -5.883 0.156) 6.413 5.068 ( 0.005 2.672 1.357) 2.997 5.186 ( 1.436 2.201 2.803) 3.842 5.227 ( -1.274 -3.627 0.839) 3.934 5.251 ( -0.831 -1.115 0.397) 1.446 5.302 ( -3.424 -2.297 2.132) 4.641 5.456 ( -2.458 -0.202 0.691) 2.562 5.515 ( 0.427 -2.894 -4.552) 5.411 5.632 ( -0.482 1.904 -0.518) 2.032 5.670 ( 0.618 1.931 -0.761) 2.166 5.707 ( 0.330 -4.057 -2.670) 4.868 5.843 ( 0.521 5.724 2.140) 6.133 6.024 ( 1.274 -0.108 2.545) 2.848 6.502 ( 2.362 2.874 0.974) 3.846 6.598 ( -7.649 -5.364 -5.495) 10.839 6.703 ( -1.163 -3.859 0.107) 4.032 6.784 ( -0.521 -0.654 3.196) 3.303 6.830 ( 1.188 -5.571 0.528) 5.721 6.892 ( -0.197 4.613 -0.201) 4.621 6.960 ( -5.366 -3.407 -3.802) 7.406 7.162 ( -1.085 -2.410 -0.509) 2.692 7.241 ( -0.266 -6.107 2.109) 6.467 7.288 ( -1.717 5.167 1.733) 5.714 7.525 ( 4.849 3.544 10.938) 12.478 7.642 ( 8.514 12.285 -1.227) 14.997 8.082 ( -2.961 -3.022 -2.746) 5.044 8.182 ( 3.290 -10.065 3.351) 11.107 8.380 ( 0.546 3.857 -2.230) 4.489 8.546 ( -4.343 -3.536 7.042) 8.998 8.556 ( -8.543 0.982 8.306) 11.955 8.685 ( -3.432 1.378 4.779) 6.043 8.849 ( 1.557 -5.603 -2.115) 6.188 8.901 ( 0.192 2.239 -4.997) 5.479 8.975 ( -1.787 -2.757 -6.391) 7.186 9.193 ( 5.622 -1.713 -1.366) 6.034 9.226 ( -1.186 5.884 -6.430) 8.796 9.335 ( -1.730 -2.520 -5.417) 6.219 9.651 ( -3.638 6.842 -8.017) 11.150 9.817 ( 9.546 -0.296 2.970) 10.002 10.010 ( 7.110 1.293 7.684) 10.548 10.197 ( 2.709 2.581 -0.806) 3.828 10.408 ( 0.133 0.762 -1.423) 1.620 10.550 ( 2.023 4.769 -4.778) 7.048 10.652 ( 3.506 3.177 -7.149) 8.573 10.773 ( -2.056 -0.134 -7.176) 7.466 10.985 ( -0.231 -1.295 -5.631) 5.782 11.182 ( -3.550 -3.749 1.579) 5.399 11.318 ( -0.227 -0.612 -2.353) 2.442 11.525 ( -5.411 -5.384 4.231) 8.727 11.775 ( -5.085 -5.830 -10.342) 12.915 12.001 ( 2.421 4.078 -8.361) 9.613 12.250 ( 0.451 0.324 -3.038) 3.088 12.636 ( 3.493 8.182 4.923) 10.167 12.887 ( 6.995 -3.105 1.580) 7.815 13.024 ( 2.478 5.609 7.935) 10.028 13.106 ( 0.607 0.542 2.334) 2.472 13.516 ( -8.902 -5.171 4.860) 11.384 13.702 ( -2.424 -0.560 0.066) 2.489 13.767 ( -0.832 -3.671 -4.920) 6.194 13.983 ( 3.826 4.396 2.874) 6.498 14.213 ( -1.602 -4.208 3.522) 5.717 14.248 ( -1.773 -1.094 -3.411) 3.997 14.352 ( -0.621 0.942 -5.116) 5.239 14.478 ( 2.429 3.988 -4.096) 6.211 14.732 ( 0.216 0.557 1.618) 1.724 15.064 ( 0.954 -10.474 0.965) 10.561 15.359 ( 2.521 12.775 7.872) 15.216 15.906 ( -3.206 -4.150 8.342) 9.854 16.088 ( 2.872 2.772 13.115) 13.709 16.779 ( -3.621 -3.702 1.404) 5.365 16.960 ( -4.906 -4.806 -1.842) 7.111 17.118 ( -0.121 -0.884 0.071) 0.895 17.402 ( 1.122 5.271 4.543) 7.049 17.522 ( -0.402 -3.951 7.057) 8.098 17.832 ( 2.133 0.683 3.370) 4.046 17.842 ( 0.881 2.383 3.779) 4.554 ======================= Grid point 20 (15/50) ======================= q-point: (-0.06 -0.06 -0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 0.000 0.000 -7.763) 7.763 1.459 ( -0.000 0.000 -32.061) 32.061 1.610 ( 0.000 0.000 -24.442) 24.442 1.748 ( 0.000 0.000 -4.694) 4.694 2.298 ( 0.000 0.000 -1.319) 1.319 2.311 ( 0.000 -0.000 1.423) 1.423 2.444 ( 0.000 0.000 -7.051) 7.051 2.471 ( 0.000 0.000 -1.906) 1.906 2.526 ( 0.000 0.000 -0.684) 0.684 2.615 ( 0.000 -0.000 -7.554) 7.554 2.628 ( -0.000 0.000 -0.798) 0.798 2.695 ( 0.000 0.000 -1.007) 1.007 2.784 ( 0.000 -0.000 -8.533) 8.533 2.813 ( -0.000 0.000 -9.890) 9.890 2.868 ( 0.000 -0.000 -3.352) 3.352 2.900 ( 0.000 0.000 0.645) 0.645 2.962 ( 0.000 0.000 0.856) 0.856 2.992 ( 0.000 0.000 -1.719) 1.719 3.049 ( 0.000 0.000 0.183) 0.183 3.219 ( 0.000 0.000 -0.106) 0.106 3.270 ( 0.000 0.000 2.977) 2.977 3.462 ( 0.000 0.000 -0.228) 0.228 3.493 ( 0.000 0.000 3.103) 3.103 3.611 ( 0.000 0.000 0.983) 0.983 3.682 ( 0.000 0.000 -0.298) 0.298 3.777 ( 0.000 0.000 5.357) 5.357 3.853 ( 0.000 0.000 -1.817) 1.817 3.964 ( 0.000 0.000 1.185) 1.185 4.013 ( 0.000 0.000 3.026) 3.026 4.166 ( 0.000 0.000 -2.250) 2.250 4.196 ( 0.000 0.000 2.086) 2.086 4.208 ( -0.000 -0.000 -4.151) 4.151 4.463 ( 0.000 0.000 -0.634) 0.634 4.569 ( 0.000 0.000 -1.706) 1.706 4.612 ( -0.000 0.000 1.743) 1.743 4.656 ( 0.000 0.000 -3.090) 3.090 4.781 ( 0.000 0.000 3.773) 3.773 4.909 ( 0.000 0.000 1.012) 1.012 4.939 ( 0.000 -0.000 1.283) 1.283 5.098 ( 0.000 0.000 -0.944) 0.944 5.174 ( -0.000 0.000 -0.198) 0.198 5.176 ( 0.000 -0.000 3.888) 3.888 5.249 ( 0.000 0.000 1.556) 1.556 5.264 ( 0.000 0.000 2.228) 2.228 5.374 ( 0.000 0.000 0.561) 0.561 5.482 ( 0.000 0.000 -6.476) 6.476 5.656 ( 0.000 0.000 -5.506) 5.506 5.672 ( 0.000 -0.000 -0.556) 0.556 5.695 ( 0.000 0.000 0.094) 0.094 5.934 ( 0.000 0.000 3.960) 3.960 6.001 ( 0.000 -0.000 -0.260) 0.260 6.444 ( 0.000 0.000 0.766) 0.766 6.631 ( 0.000 0.000 0.806) 0.806 6.681 ( 0.000 0.000 0.883) 0.883 6.725 ( 0.000 0.000 -0.221) 0.221 6.754 ( 0.000 0.000 0.330) 0.330 6.860 ( 0.000 0.000 -1.670) 1.670 7.017 ( 0.000 0.000 -0.224) 0.224 7.064 ( 0.000 0.000 0.329) 0.329 7.178 ( 0.000 0.000 0.874) 0.874 7.334 ( 0.000 0.000 2.793) 2.793 7.591 ( 0.000 0.000 12.239) 12.239 7.972 ( 0.000 0.000 -2.019) 2.019 8.035 ( 0.000 -0.000 4.887) 4.887 8.175 ( 0.000 0.000 -7.766) 7.766 8.242 ( 0.000 0.000 -1.939) 1.939 8.451 ( 0.000 0.000 10.626) 10.626 8.544 ( 0.000 -0.000 -0.752) 0.752 8.603 ( 0.000 0.000 13.400) 13.400 8.764 ( 0.000 0.000 1.489) 1.489 8.921 ( 0.000 0.000 -5.397) 5.397 8.970 ( 0.000 0.000 -10.757) 10.757 9.229 ( 0.000 -0.000 -1.374) 1.374 9.277 ( -0.000 0.000 -7.929) 7.929 9.296 ( 0.000 -0.000 -13.355) 13.355 9.711 ( 0.000 0.000 0.065) 0.065 9.899 ( 0.000 0.000 1.413) 1.413 10.031 ( 0.000 0.000 -2.698) 2.698 10.366 ( 0.000 0.000 8.801) 8.801 10.521 ( 0.000 0.000 -3.661) 3.661 10.532 ( -0.000 -0.000 2.947) 2.947 10.728 ( 0.000 -0.000 -8.308) 8.308 10.733 ( -0.000 0.000 -2.601) 2.601 10.968 ( -0.000 0.000 -3.309) 3.309 11.195 ( 0.000 0.000 3.119) 3.119 11.244 ( -0.000 -0.000 -9.814) 9.814 11.337 ( 0.000 0.000 -0.171) 0.171 11.677 ( 0.000 0.000 -8.266) 8.266 12.085 ( 0.000 0.000 -8.004) 8.004 12.253 ( 0.000 0.000 -4.015) 4.015 12.678 ( 0.000 0.000 -1.165) 1.165 13.036 ( 0.000 0.000 3.368) 3.368 13.115 ( 0.000 0.000 8.564) 8.564 13.177 ( 0.000 0.000 5.701) 5.701 13.241 ( -0.000 -0.000 -0.528) 0.528 13.683 ( 0.000 0.000 -1.298) 1.298 13.710 ( 0.000 0.000 -0.795) 0.795 14.076 ( -0.000 -0.000 -3.878) 3.878 14.094 ( 0.000 0.000 -2.862) 2.862 14.247 ( 0.000 0.000 1.947) 1.947 14.341 ( 0.000 0.000 -3.176) 3.176 14.620 ( 0.000 0.000 -1.894) 1.894 14.732 ( 0.000 0.000 2.118) 2.118 14.928 ( 0.000 0.000 -1.715) 1.715 15.568 ( 0.000 0.000 12.497) 12.497 15.811 ( 0.000 0.000 4.511) 4.511 16.158 ( 0.000 0.000 12.333) 12.333 16.710 ( 0.000 0.000 11.768) 11.768 16.856 ( 0.000 0.000 -3.182) 3.182 17.112 ( 0.000 0.000 0.835) 0.835 17.426 ( 0.000 0.000 6.098) 6.098 17.504 ( 0.000 0.000 5.641) 5.641 17.861 ( 0.000 0.000 2.563) 2.563 17.875 ( 0.000 0.000 3.782) 3.782 ======================= Grid point 23 (16/50) ======================= q-point: ( 0.18 -0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( -3.717 19.492 15.914) 25.436 1.049 ( 2.232 39.350 14.775) 42.092 1.102 ( 0.378 14.430 40.506) 43.001 2.046 ( 0.396 -5.253 14.432) 15.363 2.103 ( 0.542 -0.747 2.291) 2.470 2.323 ( -0.154 -7.388 8.572) 11.318 2.365 ( -4.115 -6.858 2.813) 8.478 2.441 ( 2.699 -0.682 2.265) 3.589 2.508 ( 1.565 2.367 7.171) 7.712 2.624 ( -1.135 -4.421 0.486) 4.590 2.686 ( -1.454 6.465 4.930) 8.259 2.709 ( -0.207 5.994 2.907) 6.665 2.773 ( 4.025 -6.207 0.693) 7.430 2.885 ( -0.477 -0.698 0.502) 0.983 2.908 ( 0.705 0.016 0.918) 1.158 2.951 ( -0.217 -10.413 6.662) 12.364 3.028 ( -4.408 1.991 -0.652) 4.881 3.144 ( 1.893 4.981 -0.101) 5.329 3.213 ( 4.613 -2.176 3.694) 6.298 3.224 ( -4.678 -0.251 3.393) 5.785 3.444 ( 1.258 -5.779 -2.052) 6.260 3.509 ( -1.346 0.040 -1.925) 2.349 3.527 ( 1.096 6.619 -0.769) 6.753 3.565 ( -0.632 1.712 -1.115) 2.138 3.647 ( 0.854 1.731 -4.354) 4.763 3.868 ( -1.869 -1.939 -1.374) 3.023 3.900 ( 0.536 0.164 -0.295) 0.633 4.014 ( -4.560 -6.498 -2.217) 8.242 4.058 ( 1.302 -3.077 -1.324) 3.594 4.151 ( 0.893 -2.014 3.433) 4.079 4.242 ( -2.122 -1.188 -1.417) 2.815 4.271 ( 6.483 0.057 -1.328) 6.618 4.357 ( 8.520 -3.156 1.012) 9.142 4.404 ( -8.083 -1.241 0.049) 8.178 4.495 ( -1.403 4.810 1.062) 5.122 4.659 ( -0.445 1.469 0.202) 1.548 4.799 ( 0.090 2.621 0.829) 2.750 4.879 ( 0.903 -2.521 -2.227) 3.483 4.977 ( -5.236 -1.495 -0.710) 5.492 5.059 ( 6.041 0.998 -2.147) 6.489 5.140 ( -2.139 3.942 -0.439) 4.506 5.248 ( -0.035 -3.054 -1.715) 3.503 5.268 ( -0.528 -1.814 -1.013) 2.143 5.343 ( 0.350 -5.726 -4.731) 7.436 5.434 ( 0.236 -1.138 5.017) 5.150 5.541 ( -0.652 2.232 1.007) 2.534 5.637 ( 1.308 -0.981 1.653) 2.325 5.661 ( 0.335 4.236 0.246) 4.257 5.737 ( -4.460 -2.155 -0.299) 4.963 5.794 ( 4.430 2.014 -0.117) 4.868 6.018 ( -0.450 2.388 -2.997) 3.859 6.473 ( 0.040 3.525 -0.794) 3.614 6.695 ( 2.292 -9.689 5.741) 11.493 6.733 ( -2.052 -2.423 -0.941) 3.312 6.778 ( -0.004 -2.671 -3.322) 4.262 6.804 ( -1.435 0.158 -0.149) 1.451 6.930 ( 0.534 2.417 -0.893) 2.631 7.027 ( 0.956 -9.626 5.679) 11.217 7.153 ( -1.243 -2.918 0.117) 3.173 7.214 ( -0.441 0.259 -2.252) 2.309 7.377 ( 3.140 2.788 -3.583) 5.520 7.423 ( -2.670 6.897 -5.689) 9.331 7.531 ( 1.665 1.961 1.397) 2.927 8.097 ( -0.237 -7.974 -0.733) 8.012 8.227 ( -7.004 -3.192 -4.355) 8.843 8.379 ( 3.727 2.890 3.365) 5.794 8.554 ( 3.863 -0.924 -9.378) 10.184 8.618 ( -3.175 -0.665 -6.499) 7.264 8.699 ( 7.931 -1.460 1.055) 8.133 8.802 ( -5.539 -2.105 1.922) 6.229 8.930 ( 0.836 5.247 5.725) 7.811 9.054 ( 1.334 -3.431 2.416) 4.403 9.099 ( -3.369 -1.801 0.255) 3.828 9.228 ( 1.058 5.606 4.865) 7.498 9.369 ( -0.345 -3.244 1.893) 3.772 9.625 ( 5.604 -0.786 6.081) 8.306 9.777 ( -5.401 8.951 -0.539) 10.468 9.946 ( -1.601 5.418 -8.470) 10.181 10.177 ( -0.553 -0.137 1.352) 1.467 10.413 ( 1.136 2.978 6.392) 7.143 10.522 ( -0.260 -2.194 4.652) 5.150 10.613 ( 0.154 3.809 6.697) 7.706 10.775 ( 0.718 2.419 7.538) 7.949 10.991 ( -0.449 -2.173 6.011) 6.407 11.234 ( 0.590 -4.911 -0.022) 4.947 11.327 ( -0.741 2.172 0.694) 2.397 11.575 ( 0.075 -5.454 -3.913) 6.713 11.837 ( -0.529 -9.041 8.894) 12.693 11.961 ( 0.957 3.195 8.353) 8.995 12.259 ( -0.008 3.822 1.921) 4.277 12.538 ( 1.513 10.551 -7.719) 13.161 12.867 ( -4.168 -2.892 -0.589) 5.107 12.987 ( 1.763 7.523 -6.271) 9.951 13.101 ( 0.012 1.199 -1.188) 1.688 13.544 ( 1.266 -11.033 -6.956) 13.104 13.757 ( 1.725 -0.167 5.857) 6.108 13.834 ( -3.114 -0.136 -2.838) 4.215 13.915 ( 1.871 7.130 -8.350) 11.138 14.202 ( -2.083 0.274 5.525) 5.911 14.286 ( -1.757 -4.581 0.955) 4.999 14.320 ( 3.606 -2.838 4.927) 6.733 14.463 ( 0.169 -0.984 3.858) 3.986 14.723 ( 0.163 0.860 -2.522) 2.669 15.128 ( -8.186 -3.401 -5.105) 10.229 15.286 ( 7.652 9.599 -4.766) 13.168 15.955 ( -0.267 -5.330 -10.206) 11.517 16.063 ( -0.057 4.074 -13.362) 13.970 16.838 ( -0.136 -7.279 5.775) 9.292 17.007 ( 0.435 -5.610 -0.486) 5.647 17.110 ( -0.624 -4.404 1.392) 4.661 17.360 ( 1.271 7.028 -3.808) 8.094 17.558 ( -0.991 -1.704 -7.278) 7.540 17.779 ( -0.145 -1.440 -3.621) 3.900 17.856 ( 0.167 5.385 -3.789) 6.586 ======================= Grid point 24 (17/50) ======================= q-point: ( 0.18 -0.07 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( 13.641 18.944 8.481) 24.837 1.361 ( 5.512 13.161 34.513) 37.346 1.772 ( -12.027 -6.570 20.640) 24.775 1.918 ( -12.431 -9.822 4.209) 16.392 2.091 ( 14.567 35.407 2.972) 38.402 2.248 ( 4.781 -4.104 1.351) 6.444 2.318 ( 9.299 -3.235 9.480) 13.668 2.414 ( 3.359 -2.961 0.841) 4.556 2.523 ( 0.281 -1.636 0.204) 1.672 2.576 ( 3.040 -7.339 8.531) 11.657 2.660 ( 2.087 -9.166 0.316) 9.406 2.742 ( -0.814 0.345 2.975) 3.104 2.794 ( -0.550 2.293 5.301) 5.801 2.810 ( -0.876 0.650 5.536) 5.643 2.922 ( 5.272 -2.148 0.560) 5.720 2.973 ( -2.388 6.313 0.465) 6.765 2.993 ( -7.554 2.689 0.780) 8.056 3.007 ( -8.251 1.409 4.816) 9.657 3.173 ( -5.369 -10.895 -1.099) 12.196 3.286 ( -8.913 -2.336 -1.420) 9.323 3.324 ( -9.099 -0.302 -2.352) 9.403 3.369 ( 6.323 -3.259 1.004) 7.184 3.542 ( -2.623 0.413 -2.517) 3.659 3.602 ( 4.067 -0.730 -2.995) 5.104 3.673 ( -2.402 7.424 0.064) 7.803 3.806 ( -1.070 0.626 -2.637) 2.914 3.874 ( -1.991 1.004 1.100) 2.487 3.948 ( 0.427 0.139 -2.150) 2.196 4.013 ( 0.375 -1.214 -2.164) 2.510 4.147 ( 1.628 -0.430 2.268) 2.825 4.195 ( -0.698 -0.115 -0.865) 1.117 4.247 ( -3.546 -2.414 2.897) 5.176 4.404 ( 5.661 -0.688 1.160) 5.819 4.551 ( 1.783 2.347 0.469) 2.984 4.575 ( 8.384 -0.356 -2.350) 8.715 4.652 ( 1.051 -0.690 3.828) 4.030 4.812 ( -5.506 -6.559 -2.515) 8.925 4.850 ( 3.910 -1.472 -1.733) 4.523 4.922 ( 1.843 3.552 -0.503) 4.033 5.030 ( 5.082 -4.179 -0.464) 6.596 5.126 ( -2.332 -4.383 1.040) 5.073 5.209 ( 3.458 -4.285 -2.206) 5.932 5.248 ( -0.828 1.268 -2.318) 2.769 5.283 ( -1.212 1.137 -2.954) 3.389 5.424 ( -4.916 -3.279 0.197) 5.913 5.462 ( 1.836 -0.980 5.795) 6.157 5.647 ( 0.582 -1.450 4.361) 4.632 5.688 ( -1.222 3.038 -0.025) 3.275 5.744 ( -3.096 4.518 0.113) 5.478 5.892 ( 4.108 -2.049 -2.677) 5.314 6.022 ( -1.919 0.984 -0.597) 2.237 6.519 ( -6.799 -0.810 0.826) 6.896 6.598 ( 2.222 5.406 -0.476) 5.864 6.659 ( 1.808 0.270 -0.341) 1.860 6.736 ( -1.107 -2.349 0.185) 2.604 6.778 ( -1.488 -1.530 -2.090) 2.987 6.902 ( -3.544 -2.284 1.925) 4.635 6.968 ( 2.565 2.218 1.150) 3.581 7.086 ( -0.116 -5.069 -0.959) 5.160 7.191 ( -1.256 0.588 -1.374) 1.952 7.355 ( -2.889 1.393 -2.082) 3.824 7.555 ( 4.153 0.567 -9.736) 10.600 7.857 ( 15.766 7.984 0.889) 17.695 7.960 ( 2.870 -7.014 3.223) 8.235 8.088 ( -3.190 -2.914 -4.644) 6.343 8.341 ( -2.057 -3.468 1.693) 4.374 8.474 ( -1.953 -7.981 -4.306) 9.277 8.601 ( -2.424 -0.808 -7.745) 8.155 8.699 ( -6.793 3.737 -7.035) 10.469 8.747 ( 0.442 -2.971 -0.937) 3.146 8.925 ( -1.539 2.295 4.426) 5.218 8.987 ( -1.449 2.102 8.234) 8.621 9.168 ( 4.845 -0.670 2.838) 5.655 9.294 ( -1.035 -2.113 7.118) 7.497 9.317 ( -1.295 3.743 9.358) 10.162 9.771 ( -2.207 0.068 -0.775) 2.340 9.847 ( 2.882 8.721 4.299) 10.141 9.947 ( 4.044 -4.925 -2.139) 6.722 10.300 ( 7.926 6.134 -1.028) 10.075 10.414 ( -1.850 0.150 -2.391) 3.027 10.683 ( 1.335 -1.742 8.167) 8.457 10.699 ( 3.381 6.853 4.054) 8.650 10.747 ( -4.755 0.931 6.245) 7.904 10.964 ( 1.502 -0.619 3.354) 3.727 11.142 ( -2.026 0.315 -1.876) 2.779 11.333 ( -4.092 1.914 3.735) 5.862 11.377 ( -3.078 -9.806 -1.914) 10.455 11.678 ( -0.067 -3.882 8.362) 9.219 12.071 ( 0.815 3.684 7.244) 8.168 12.310 ( -4.438 6.097 4.794) 8.936 12.688 ( -1.754 -4.002 0.486) 4.397 12.875 ( 13.240 2.485 -5.837) 14.682 13.101 ( 1.930 1.620 -6.527) 6.996 13.126 ( -0.185 2.175 -3.398) 4.038 13.367 ( -4.603 -8.390 -1.557) 9.696 13.670 ( 0.101 -4.990 4.275) 6.571 13.761 ( -4.785 1.901 -1.438) 5.346 14.045 ( 1.262 2.645 3.295) 4.410 14.144 ( -2.511 -3.977 3.645) 5.951 14.229 ( 1.969 0.283 -2.193) 2.960 14.332 ( 1.479 -1.003 4.086) 4.460 14.531 ( 6.066 -1.058 0.634) 6.190 14.737 ( 0.530 0.772 -1.934) 2.149 14.977 ( -5.516 1.532 -0.852) 5.788 15.584 ( 0.813 10.800 -8.028) 13.481 15.834 ( -3.017 -3.627 -7.014) 8.453 16.166 ( -0.777 5.578 -13.068) 14.230 16.733 ( -2.351 -1.558 -9.890) 10.284 16.874 ( -1.643 -3.390 2.784) 4.684 17.062 ( 4.469 -5.191 -1.691) 7.056 17.449 ( -0.112 -3.274 -6.623) 7.389 17.510 ( -2.411 5.717 -4.338) 7.571 17.788 ( 4.144 -3.207 -3.603) 6.359 17.929 ( -2.396 4.557 -2.912) 5.915 ======================= Grid point 25 (18/50) ======================= q-point: ( 0.18 -0.07 -0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( -21.095 -11.700 8.008) 25.417 1.359 ( -13.021 -5.576 34.203) 37.020 1.764 ( 4.891 10.005 18.150) 21.295 1.807 ( 8.531 5.584 7.523) 12.671 2.087 ( -26.277 -7.745 2.665) 27.524 2.287 ( 0.643 -3.872 1.696) 4.276 2.383 ( 4.109 -10.860 7.574) 13.863 2.435 ( 0.616 -1.940 4.252) 4.714 2.494 ( 1.177 1.193 5.443) 5.695 2.562 ( 9.228 -3.996 1.639) 10.189 2.583 ( 4.559 -3.398 0.106) 5.687 2.742 ( 3.089 2.174 -0.476) 3.807 2.802 ( 2.301 -0.801 8.854) 9.183 2.827 ( -3.096 0.399 5.244) 6.103 2.882 ( -0.742 -1.627 0.759) 1.943 2.976 ( -0.894 8.279 3.588) 9.067 2.988 ( -3.050 2.894 1.739) 4.550 3.076 ( 0.055 4.101 -0.409) 4.121 3.170 ( 9.420 9.232 -0.410) 13.196 3.221 ( -5.685 2.525 -0.591) 6.249 3.373 ( 3.459 -7.344 1.357) 8.231 3.434 ( 4.154 13.910 -2.589) 14.746 3.503 ( 0.040 0.851 -2.821) 2.947 3.652 ( -5.621 1.413 -2.789) 6.432 3.721 ( -2.373 3.015 -1.366) 4.073 3.745 ( 0.460 1.064 -1.752) 2.100 3.863 ( -0.304 1.778 -0.186) 1.813 3.960 ( -0.295 -0.414 -0.714) 0.876 4.014 ( 1.260 -1.373 -1.084) 2.156 4.136 ( 0.007 -3.736 -1.064) 3.884 4.168 ( 1.240 -1.327 0.784) 1.978 4.208 ( 1.758 0.640 2.844) 3.404 4.396 ( -0.515 -5.292 1.575) 5.545 4.524 ( 0.366 -7.299 -1.679) 7.499 4.628 ( -1.260 1.346 2.135) 2.821 4.636 ( 0.939 -2.108 1.660) 2.843 4.783 ( 5.146 1.316 -2.915) 6.059 4.887 ( -2.907 -2.101 -0.048) 3.587 4.928 ( 2.953 0.910 -0.880) 3.213 5.099 ( 3.390 -1.072 -1.519) 3.867 5.143 ( 4.198 -6.434 -2.656) 8.129 5.188 ( 2.698 4.002 1.806) 5.153 5.228 ( 0.671 -2.591 -0.541) 2.730 5.261 ( -0.417 1.654 -3.776) 4.144 5.406 ( 1.619 2.178 -0.351) 2.737 5.497 ( 1.951 1.287 6.386) 6.800 5.646 ( -1.062 -0.043 0.838) 1.354 5.712 ( -0.466 3.475 2.831) 4.506 5.727 ( -5.183 2.896 0.435) 5.953 5.830 ( 1.456 -7.754 -2.378) 8.240 6.043 ( -0.428 1.819 -1.303) 2.278 6.481 ( 0.380 3.805 1.225) 4.015 6.607 ( -5.249 -1.964 -0.489) 5.626 6.692 ( 0.220 1.590 -1.287) 2.057 6.760 ( 1.712 -0.324 -2.413) 2.976 6.819 ( 2.396 6.206 -0.371) 6.663 6.861 ( 2.120 2.355 2.810) 4.235 6.947 ( -2.467 -5.404 -1.377) 6.098 7.087 ( 5.091 0.909 1.972) 5.535 7.240 ( -0.579 4.499 -1.220) 4.697 7.304 ( -1.395 -1.250 -2.619) 3.220 7.563 ( -0.463 -3.130 -10.418) 10.888 7.792 ( -5.865 -13.737 1.644) 15.027 7.995 ( 5.125 -2.262 3.192) 6.448 8.264 ( 0.073 1.989 -1.231) 2.341 8.288 ( 10.884 3.096 0.847) 11.348 8.436 ( 4.845 -0.999 -7.372) 8.877 8.497 ( -2.451 2.772 -8.773) 9.522 8.650 ( -3.268 1.325 -5.417) 6.463 8.799 ( 3.529 2.651 0.522) 4.445 8.962 ( -2.989 1.094 5.064) 5.981 8.978 ( -1.493 3.631 6.815) 7.865 9.189 ( 2.238 -5.736 3.121) 6.903 9.257 ( -1.021 1.166 4.936) 5.173 9.333 ( -1.559 1.624 10.353) 10.595 9.663 ( -4.432 -2.434 7.173) 8.776 9.895 ( 1.477 -2.532 -1.409) 3.252 10.095 ( -0.500 5.812 -2.521) 6.355 10.293 ( -6.920 -7.439 -5.894) 11.745 10.472 ( -6.390 -0.212 1.404) 6.546 10.515 ( 6.661 -4.504 0.034) 8.041 10.735 ( -1.188 1.478 9.926) 10.105 10.740 ( -4.871 -0.180 4.469) 6.613 10.965 ( 1.377 -0.578 5.134) 5.347 11.201 ( -4.531 -0.037 1.560) 4.792 11.282 ( 4.973 5.039 0.520) 7.099 11.394 ( 6.689 3.823 -0.487) 7.720 11.687 ( 3.725 0.707 9.059) 9.821 12.055 ( -4.139 -1.521 6.819) 8.120 12.307 ( -5.564 4.021 3.287) 7.611 12.643 ( 1.700 -2.339 -0.490) 2.933 12.960 ( 1.120 -8.090 -2.664) 8.591 13.091 ( -2.242 -1.538 -5.329) 5.982 13.146 ( -4.227 -1.457 -3.036) 5.405 13.312 ( 9.134 4.835 -4.478) 11.263 13.693 ( 2.299 3.368 -1.882) 4.491 13.736 ( 1.386 0.491 3.401) 3.705 14.055 ( -3.262 -1.855 5.651) 6.783 14.130 ( 4.013 3.020 3.649) 6.208 14.242 ( 0.081 0.160 -2.331) 2.338 14.333 ( 0.568 -2.336 2.669) 3.592 14.506 ( 0.596 -6.544 3.311) 7.359 14.730 ( -0.338 -0.579 -3.563) 3.626 15.071 ( 0.953 9.726 -0.976) 9.822 15.489 ( -11.580 -5.382 -8.010) 15.074 15.860 ( 2.334 3.447 -6.756) 7.935 16.167 ( -5.568 0.856 -13.456) 14.588 16.735 ( 1.386 2.487 -8.453) 8.919 16.879 ( 3.296 1.827 1.712) 4.140 17.064 ( 5.613 -4.551 -1.702) 7.424 17.400 ( -0.100 -0.754 -6.030) 6.077 17.556 ( -2.687 3.400 -5.251) 6.809 17.786 ( 3.381 -4.410 -3.434) 6.532 17.930 ( -4.606 2.409 -2.960) 5.981 ======================= Grid point 27 (19/50) ======================= q-point: ( 0.42 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( -2.494 11.908 16.720) 20.678 2.125 ( 4.256 17.487 7.720) 19.583 2.212 ( -0.463 5.970 2.533) 6.502 2.316 ( -1.849 -4.948 4.888) 7.197 2.388 ( -1.162 -0.417 -2.007) 2.356 2.458 ( 1.621 3.339 2.506) 4.478 2.568 ( -0.120 -4.045 12.183) 12.838 2.649 ( 1.880 -3.402 0.912) 3.993 2.723 ( 2.570 -3.743 8.549) 9.680 2.865 ( -1.298 0.028 2.293) 2.636 2.888 ( 0.434 -2.019 8.431) 8.680 2.907 ( 0.778 -0.404 8.568) 8.613 2.961 ( -1.089 -1.647 1.195) 2.308 3.026 ( -1.701 -5.642 -2.932) 6.582 3.107 ( -0.014 -1.999 14.800) 14.934 3.137 ( -1.679 -0.125 -0.921) 1.919 3.189 ( -2.094 3.066 0.951) 3.833 3.253 ( -1.697 1.020 7.740) 7.990 3.290 ( -0.659 2.192 2.963) 3.744 3.352 ( 5.279 -1.877 2.291) 6.054 3.414 ( 0.858 0.787 5.789) 5.905 3.454 ( -1.214 -1.601 13.828) 13.973 3.467 ( -0.314 -0.369 13.753) 13.761 3.556 ( -0.801 0.610 -0.470) 1.111 3.737 ( -4.806 1.362 1.855) 5.328 3.792 ( 4.240 1.149 -1.665) 4.698 3.798 ( -4.106 -3.832 -1.348) 5.776 3.900 ( 5.850 -0.439 -1.877) 6.160 3.938 ( -6.466 1.375 0.903) 6.672 4.100 ( 10.513 -1.944 -3.648) 11.296 4.122 ( 1.718 -2.031 -2.902) 3.937 4.235 ( -3.063 2.004 1.044) 3.807 4.367 ( -1.324 -1.715 0.551) 2.236 4.456 ( 0.486 2.228 -1.741) 2.869 4.530 ( -1.699 2.453 -2.865) 4.137 4.654 ( 0.533 -3.209 -4.572) 5.611 4.707 ( -0.090 -1.728 0.665) 1.854 4.906 ( 1.829 -2.483 -1.079) 3.268 4.914 ( -4.104 -3.557 -0.798) 5.489 4.978 ( -0.195 2.527 3.371) 4.218 5.079 ( 1.009 -3.066 -4.236) 5.326 5.113 ( 1.302 -1.101 -0.916) 1.935 5.151 ( -0.849 0.653 -1.928) 2.206 5.201 ( -1.350 0.816 -6.964) 7.141 5.350 ( 1.998 -3.659 -7.655) 8.717 5.424 ( -1.946 -2.290 -8.374) 8.897 5.625 ( 1.366 2.547 -3.348) 4.423 5.774 ( -0.571 0.587 -1.976) 2.139 5.868 ( -0.458 -0.068 6.199) 6.216 5.884 ( 0.006 0.592 4.645) 4.683 5.952 ( 1.673 4.739 4.361) 6.654 6.479 ( 0.110 2.113 -3.345) 3.958 6.506 ( -1.316 -0.238 -3.789) 4.019 6.624 ( 3.113 -0.540 0.154) 3.163 6.676 ( -1.028 -1.786 -1.053) 2.315 6.764 ( -2.439 -4.342 -2.878) 5.752 6.862 ( 3.088 -3.930 -2.704) 5.683 6.961 ( 1.333 -1.268 -0.940) 2.066 7.024 ( -3.930 1.404 -3.351) 5.352 7.250 ( -2.442 1.947 0.990) 3.276 7.296 ( 0.310 6.648 0.811) 6.704 7.307 ( 2.004 0.319 -1.663) 2.623 7.728 ( -1.660 0.101 -3.860) 4.203 7.927 ( -1.392 3.450 1.157) 3.896 8.017 ( -1.480 0.375 -4.915) 5.146 8.174 ( 9.479 -9.634 -0.688) 13.532 8.435 ( -10.416 -5.845 1.737) 12.069 8.478 ( 3.701 -7.158 0.803) 8.099 8.709 ( 4.821 -1.540 2.919) 5.843 8.947 ( 2.910 2.601 -2.271) 4.515 9.003 ( -2.676 3.140 1.424) 4.364 9.135 ( -3.968 -3.223 3.172) 6.016 9.231 ( -0.246 -0.915 7.780) 7.838 9.272 ( 3.802 0.556 -2.717) 4.706 9.507 ( -1.501 3.250 -2.042) 4.121 9.878 ( -0.911 6.758 4.691) 8.277 10.021 ( 0.449 7.828 1.518) 7.986 10.123 ( -8.801 10.979 10.830) 17.756 10.179 ( 2.205 -5.842 2.279) 6.647 10.507 ( 8.401 2.971 -6.006) 10.746 10.612 ( -3.287 -1.154 0.325) 3.499 10.868 ( 0.332 1.669 1.137) 2.047 11.000 ( 3.821 -4.009 -4.609) 7.205 11.175 ( -0.295 -3.012 7.095) 7.713 11.247 ( -1.506 -6.284 6.380) 9.081 11.575 ( -0.056 -2.025 6.522) 6.829 11.635 ( -2.588 -0.173 13.329) 13.579 12.019 ( 0.988 -7.088 -0.167) 7.159 12.132 ( -0.308 17.857 -16.053) 24.014 12.229 ( 2.406 2.461 -0.824) 3.539 12.512 ( -0.263 7.591 2.031) 7.862 12.691 ( -3.788 -4.884 -2.023) 6.503 12.852 ( 1.409 -0.596 -12.739) 12.830 13.037 ( 2.265 3.183 -1.522) 4.192 13.158 ( -0.575 6.430 -1.070) 6.544 13.689 ( -2.372 -3.613 -2.898) 5.204 13.713 ( -0.111 -0.215 -1.649) 1.667 13.905 ( 2.372 -1.777 -1.484) 3.314 14.150 ( -0.712 -3.811 1.677) 4.224 14.246 ( 1.226 -7.302 0.978) 7.469 14.430 ( -2.643 1.329 -0.858) 3.081 14.562 ( -0.796 -3.597 -0.978) 3.811 14.723 ( 3.681 3.045 4.270) 6.408 14.831 ( -1.748 1.287 -7.931) 8.222 15.103 ( -0.411 6.268 -10.919) 12.597 15.178 ( 0.565 -0.397 -21.673) 21.684 15.763 ( 0.458 8.039 -3.084) 8.623 16.798 ( 6.013 -4.709 -0.803) 7.680 16.835 ( -9.548 -6.266 4.392) 12.236 17.039 ( 3.715 -2.671 -4.989) 6.770 17.347 ( -4.981 0.908 -1.550) 5.295 17.376 ( 5.331 -6.229 1.495) 8.334 17.589 ( -0.892 -4.751 0.772) 4.896 17.848 ( 0.022 7.502 -2.277) 7.840 ======================= Grid point 28 (20/50) ======================= q-point: ( 0.42 -0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 6.653 11.976 11.642) 17.979 2.001 ( -10.148 -9.919 9.573) 17.117 2.217 ( 2.096 -1.027 0.417) 2.371 2.392 ( 6.196 -4.454 3.195) 8.273 2.445 ( -0.228 1.724 -1.396) 2.230 2.467 ( -0.477 -1.645 2.884) 3.354 2.559 ( 2.306 -3.377 -1.839) 4.484 2.662 ( 0.009 -0.854 13.512) 13.539 2.731 ( 4.144 -4.716 0.904) 6.343 2.871 ( -1.179 1.089 8.769) 8.914 2.883 ( -1.187 -0.281 12.118) 12.179 2.907 ( -2.445 0.959 3.738) 4.569 2.942 ( -2.568 3.380 1.160) 4.400 3.039 ( -6.319 1.880 3.801) 7.610 3.093 ( 1.414 -1.699 15.833) 15.987 3.126 ( -6.551 0.542 -1.061) 6.659 3.205 ( 0.171 14.716 -0.803) 14.739 3.217 ( 4.818 5.211 -1.535) 7.262 3.255 ( -1.750 1.066 3.900) 4.405 3.338 ( -2.119 -2.236 3.348) 4.550 3.358 ( -0.538 -0.112 10.574) 10.588 3.418 ( 0.879 -0.426 14.262) 14.295 3.424 ( 1.382 -1.494 13.262) 13.417 3.608 ( -8.571 0.069 1.584) 8.716 3.661 ( 5.237 2.278 -0.705) 5.754 3.776 ( -4.025 6.822 -1.148) 8.003 3.835 ( -4.383 -1.514 -1.675) 4.930 3.879 ( 0.474 -0.964 -2.521) 2.741 4.008 ( 1.467 4.885 0.302) 5.110 4.075 ( 1.634 -4.245 -3.978) 6.043 4.137 ( 0.572 -10.108 2.673) 10.471 4.305 ( 0.888 -3.817 2.410) 4.601 4.365 ( 11.023 -1.263 -2.488) 11.371 4.452 ( 0.856 -3.897 -0.796) 4.068 4.560 ( -1.832 -0.274 -4.822) 5.166 4.577 ( 1.887 2.344 -3.246) 4.426 4.668 ( 1.922 -2.805 0.534) 3.442 4.822 ( 0.392 0.567 0.281) 0.745 4.916 ( 3.178 -2.760 0.934) 4.312 4.999 ( 1.519 -1.561 2.117) 3.037 5.075 ( 0.223 0.430 -2.572) 2.617 5.103 ( -2.729 -0.188 -2.655) 3.812 5.175 ( 1.175 1.739 -0.176) 2.107 5.229 ( -0.228 1.756 -7.662) 7.864 5.271 ( -1.573 -0.829 -6.253) 6.501 5.406 ( 3.926 -3.600 -9.121) 10.562 5.662 ( -2.722 1.835 -4.495) 5.566 5.757 ( 1.014 -0.708 -1.305) 1.798 5.882 ( -0.391 -0.068 5.820) 5.833 5.887 ( 0.536 0.198 6.457) 6.482 6.002 ( -4.437 3.278 2.113) 5.907 6.485 ( -3.118 3.506 -1.515) 4.930 6.544 ( 1.004 -0.187 -4.741) 4.850 6.587 ( 2.241 -3.715 -3.172) 5.374 6.650 ( -1.076 -2.049 -0.086) 2.315 6.717 ( 3.067 3.316 -1.682) 4.820 6.809 ( 0.182 -3.966 -3.160) 5.074 6.960 ( -2.474 1.441 1.050) 3.050 7.032 ( 0.357 2.208 -2.298) 3.207 7.265 ( -0.247 2.137 0.314) 2.174 7.305 ( 0.032 -1.831 -1.231) 2.207 7.391 ( -5.034 4.546 0.745) 6.823 7.777 ( 7.690 0.914 -8.478) 11.482 7.948 ( -3.322 1.360 -3.471) 4.994 8.034 ( 0.821 -3.151 2.392) 4.041 8.103 ( -6.554 -1.951 0.198) 6.841 8.321 ( 7.338 -4.477 3.211) 9.176 8.377 ( 7.184 -6.431 4.392) 10.595 8.657 ( 7.050 -6.393 1.673) 9.663 8.946 ( -4.040 3.477 3.985) 6.655 9.048 ( -4.955 -0.382 -0.579) 5.004 9.112 ( 1.715 5.395 -5.168) 7.665 9.214 ( 1.439 -3.386 2.205) 4.289 9.348 ( 2.082 -3.481 2.514) 4.772 9.538 ( 2.800 -1.846 3.440) 4.804 9.963 ( -4.038 5.941 4.628) 8.545 10.079 ( -1.814 2.979 5.464) 6.482 10.189 ( -5.461 5.363 -0.132) 7.655 10.227 ( 1.216 8.648 -2.113) 8.986 10.504 ( -4.528 -8.037 4.428) 10.232 10.653 ( -3.055 -1.054 -6.703) 7.441 10.803 ( -4.042 5.277 -1.518) 6.818 10.996 ( 0.241 3.874 1.458) 4.146 11.066 ( 3.075 -0.499 2.180) 3.802 11.192 ( 2.975 -5.870 3.779) 7.588 11.544 ( 4.991 -6.562 6.810) 10.693 11.645 ( 3.708 -0.845 16.152) 16.594 11.946 ( 2.409 -3.463 3.410) 5.425 12.284 ( -3.566 2.071 -0.598) 4.167 12.444 ( -2.911 3.122 -4.852) 6.462 12.473 ( -4.033 1.976 -8.105) 9.266 12.708 ( 2.265 8.748 -10.357) 13.745 12.839 ( -5.263 -2.699 -3.952) 7.113 13.017 ( -3.152 1.837 -4.077) 5.471 13.227 ( -1.880 2.939 -1.320) 3.730 13.680 ( 1.938 -4.939 0.665) 5.347 13.695 ( 5.704 0.386 -2.879) 6.401 13.882 ( -3.883 0.220 -3.851) 5.473 14.121 ( 1.329 -0.660 0.298) 1.514 14.144 ( 2.470 -2.564 1.129) 3.735 14.430 ( 0.445 1.758 2.222) 2.868 14.537 ( 3.079 -3.382 -2.267) 5.105 14.766 ( -4.264 0.438 3.315) 5.419 14.837 ( 1.389 1.608 -5.875) 6.247 15.167 ( -0.096 1.135 -17.126) 17.164 15.172 ( -0.901 -0.503 -18.889) 18.917 15.876 ( -4.649 4.026 -6.996) 9.315 16.645 ( -2.243 2.717 7.194) 8.011 16.860 ( 6.387 -3.396 -0.520) 7.253 17.013 ( 2.991 -6.556 3.292) 7.923 17.219 ( 2.509 -1.797 -0.274) 3.098 17.439 ( -2.792 1.461 0.229) 3.160 17.531 ( 3.595 -2.378 -4.838) 6.480 17.921 ( -4.067 4.070 -1.418) 5.925 ======================= Grid point 31 (21/50) ======================= q-point: ( 0.42 -0.08 -0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( -6.869 10.708 18.962) 22.834 1.808 ( -20.557 16.805 14.026) 30.029 2.183 ( 1.562 -1.933 3.972) 4.686 2.368 ( 0.143 2.589 1.066) 2.803 2.416 ( -1.399 -0.085 -0.499) 1.488 2.454 ( 0.814 -1.737 -0.606) 2.012 2.587 ( -0.030 -0.121 16.635) 16.635 2.663 ( 1.587 -3.301 3.639) 5.163 2.821 ( 3.670 -4.343 6.615) 8.723 2.878 ( -0.242 -0.413 1.590) 1.660 2.898 ( -0.405 -1.639 6.630) 6.842 2.952 ( -2.150 -4.466 6.436) 8.123 3.005 ( 5.422 4.625 2.222) 7.465 3.010 ( 0.264 2.086 5.408) 5.803 3.103 ( -0.510 0.536 0.273) 0.789 3.128 ( 3.332 -2.767 -3.731) 5.716 3.167 ( 0.028 3.381 4.207) 5.398 3.236 ( 1.973 -1.874 20.072) 20.255 3.318 ( 0.915 -0.223 -3.344) 3.474 3.370 ( -1.716 0.537 10.729) 10.878 3.427 ( 0.643 -1.677 0.400) 1.840 3.442 ( -2.963 -3.755 -0.822) 4.853 3.480 ( 4.009 -4.922 14.939) 16.232 3.582 ( 1.497 1.597 9.218) 9.474 3.623 ( 8.200 -6.245 3.127) 10.771 3.725 ( 5.733 -2.690 -0.012) 6.333 3.816 ( -0.572 -0.589 -0.920) 1.233 3.873 ( 0.854 0.066 -3.116) 3.231 3.998 ( 1.299 1.543 -2.078) 2.896 4.110 ( -5.474 -0.163 -0.768) 5.530 4.175 ( -1.130 -0.656 -2.016) 2.402 4.295 ( -6.073 2.845 -1.945) 6.982 4.388 ( 0.348 0.575 0.202) 0.701 4.439 ( -1.789 0.806 -2.041) 2.831 4.496 ( -1.566 5.546 -2.536) 6.296 4.645 ( -1.481 1.373 -3.817) 4.318 4.712 ( 0.092 -0.329 -1.413) 1.454 4.910 ( 2.377 -0.285 -1.593) 2.876 4.937 ( -1.910 0.978 0.772) 2.280 4.971 ( 1.222 -0.141 -2.347) 2.650 5.113 ( 0.491 -1.954 -1.113) 2.302 5.128 ( 0.558 -1.816 -3.657) 4.121 5.187 ( -0.019 2.459 -5.300) 5.843 5.209 ( 2.599 -1.392 -1.031) 3.124 5.342 ( 2.110 -5.107 -7.582) 9.382 5.485 ( 0.053 4.078 -9.559) 10.393 5.618 ( -1.545 -3.283 -6.203) 7.186 5.731 ( -0.716 4.131 1.169) 4.353 5.843 ( -0.431 -0.723 6.902) 6.953 5.885 ( -1.690 1.239 5.516) 5.901 5.913 ( 0.770 -1.717 3.442) 3.923 6.456 ( -1.005 0.531 -0.878) 1.437 6.537 ( 3.511 1.208 -2.403) 4.423 6.616 ( -3.051 -4.175 -4.298) 6.724 6.683 ( 1.846 -0.123 -1.532) 2.402 6.773 ( 1.314 0.229 -3.026) 3.307 6.914 ( -0.365 -3.382 0.477) 3.434 6.970 ( 3.634 -1.373 -2.889) 4.841 7.034 ( 3.760 -1.298 -4.757) 6.201 7.201 ( -0.472 2.327 2.389) 3.368 7.247 ( -2.189 3.139 -1.897) 4.271 7.307 ( -2.896 0.421 0.205) 2.934 7.728 ( -6.107 5.165 -0.186) 8.000 7.971 ( -1.572 -2.190 -4.103) 4.909 8.054 ( 11.444 2.434 -3.642) 12.254 8.194 ( -3.235 -10.150 -2.641) 10.976 8.427 ( 5.892 0.853 -0.631) 5.987 8.582 ( -1.061 1.419 2.085) 2.736 8.750 ( -0.729 -11.067 3.429) 11.609 8.938 ( 6.383 1.417 2.922) 7.162 8.955 ( -7.438 4.911 -4.444) 9.959 9.111 ( 0.109 5.159 3.826) 6.424 9.256 ( -5.164 5.376 5.292) 9.142 9.313 ( -4.400 -5.248 -4.265) 8.068 9.478 ( 0.216 8.695 0.716) 8.727 9.812 ( -3.968 -3.518 5.797) 7.857 9.898 ( -0.178 2.390 6.043) 6.501 10.037 ( 0.224 8.733 11.182) 14.190 10.319 ( 1.815 -1.006 6.941) 7.245 10.424 ( -0.040 -8.694 -5.745) 10.421 10.554 ( 2.785 3.754 -5.129) 6.939 10.896 ( -6.017 1.207 1.649) 6.354 11.029 ( 6.234 -9.765 -3.429) 12.082 11.130 ( 1.830 -2.563 7.297) 7.948 11.338 ( 4.328 -1.582 11.021) 11.946 11.601 ( -5.959 8.976 7.128) 12.919 11.660 ( -0.006 0.866 9.732) 9.770 11.931 ( -9.335 9.404 -25.517) 28.753 12.106 ( 2.696 -3.758 0.094) 4.626 12.241 ( -2.110 -0.908 2.604) 3.472 12.432 ( 1.094 0.039 6.682) 6.771 12.739 ( 1.944 0.213 -8.969) 9.180 12.893 ( 1.024 5.716 -0.851) 5.869 12.939 ( -7.003 -2.026 -6.700) 9.901 13.073 ( 2.713 -2.277 -2.405) 4.281 13.689 ( 0.247 0.367 -4.035) 4.059 13.778 ( 3.071 -0.212 0.403) 3.105 13.903 ( -3.024 -0.291 -2.997) 4.267 14.202 ( 6.048 -5.068 2.539) 8.290 14.343 ( -0.518 -4.176 0.950) 4.314 14.408 ( 3.049 2.311 -0.390) 3.845 14.590 ( 1.788 0.887 -0.731) 2.126 14.703 ( -3.285 -1.024 0.809) 3.535 14.825 ( -0.674 0.852 -9.427) 9.489 15.001 ( -4.997 6.062 -3.816) 8.734 15.186 ( 0.206 -0.693 -22.085) 22.097 15.683 ( -3.722 3.343 -1.849) 5.334 16.786 ( 7.194 -8.042 1.495) 10.893 16.968 ( 3.341 2.818 -3.381) 5.525 17.131 ( -4.653 -5.642 -5.955) 9.431 17.210 ( 1.038 4.494 -4.161) 6.211 17.548 ( 4.445 -6.677 8.062) 11.372 17.665 ( 2.284 1.891 -1.662) 3.399 17.705 ( -3.450 1.221 -2.328) 4.338 ======================= Grid point 32 (22/50) ======================= q-point: (-0.35 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( 1.106 -4.503 -17.780) 18.375 1.964 ( -1.083 -15.800 -14.656) 21.578 2.257 ( 1.018 2.353 -0.838) 2.697 2.315 ( -1.605 1.503 2.794) 3.556 2.393 ( 1.868 -2.787 3.061) 4.542 2.415 ( -1.558 -4.647 -0.864) 4.977 2.714 ( -0.542 0.329 6.242) 6.274 2.757 ( 0.044 7.087 -0.567) 7.110 2.897 ( -1.312 6.904 -1.135) 7.118 2.945 ( 0.006 0.153 -2.502) 2.507 2.962 ( 1.492 -0.385 -1.470) 2.130 3.015 ( 0.037 -0.264 -5.813) 5.819 3.042 ( -0.091 -1.557 0.413) 1.613 3.065 ( 0.528 2.116 -1.716) 2.775 3.117 ( 2.589 -2.103 -0.728) 3.414 3.138 ( -2.310 2.154 0.438) 3.188 3.175 ( 1.463 -1.139 2.398) 3.031 3.252 ( 1.866 2.492 1.391) 3.410 3.305 ( -0.820 4.834 0.048) 4.903 3.446 ( -5.383 0.928 0.347) 5.473 3.619 ( -0.463 5.217 -7.427) 9.088 3.650 ( 0.323 -0.828 -7.727) 7.778 3.757 ( 0.661 1.815 1.805) 2.644 3.781 ( 1.717 -0.857 -1.387) 2.368 3.791 ( 4.024 -0.872 -6.346) 7.565 3.862 ( 1.566 0.770 -4.563) 4.885 3.881 ( -3.592 -0.238 0.106) 3.601 3.900 ( 1.558 -2.263 -12.225) 12.530 3.986 ( 0.230 2.350 -8.555) 8.875 4.056 ( -6.510 1.361 -1.196) 6.758 4.062 ( 1.268 1.802 4.789) 5.272 4.147 ( 1.269 -6.597 -0.550) 6.741 4.355 ( 0.043 1.307 7.318) 7.434 4.360 ( -0.351 0.833 5.955) 6.023 4.446 ( 0.837 -2.914 -1.385) 3.334 4.544 ( 0.195 -5.885 3.211) 6.707 4.697 ( -0.079 -1.674 0.307) 1.704 4.884 ( 0.607 -0.942 1.965) 2.262 4.917 ( 0.017 0.831 2.404) 2.544 4.936 ( -1.445 -1.333 -0.217) 1.978 5.001 ( 0.843 -1.300 4.486) 4.746 5.040 ( 0.276 0.693 6.262) 6.306 5.061 ( -0.182 -1.299 5.832) 5.978 5.218 ( -1.232 7.637 2.102) 8.017 5.285 ( 2.222 1.894 5.191) 5.956 5.383 ( -0.627 0.619 -5.835) 5.901 5.492 ( -0.626 -0.640 7.838) 7.889 5.719 ( 0.294 -1.407 -1.036) 1.772 5.950 ( 0.044 -0.415 -3.414) 3.440 5.974 ( -0.271 -2.087 -3.826) 4.367 6.028 ( -0.092 1.671 -4.487) 4.789 6.433 ( -0.405 0.817 0.010) 0.912 6.482 ( 1.566 3.183 2.602) 4.399 6.574 ( -1.851 -4.738 1.017) 5.187 6.674 ( 0.248 1.299 1.703) 2.156 6.725 ( 0.131 -0.422 2.728) 2.764 6.835 ( 0.672 -1.696 5.703) 5.988 6.983 ( -0.598 3.366 -0.735) 3.497 7.003 ( 0.703 3.236 1.251) 3.539 7.201 ( 0.255 -2.428 -0.958) 2.623 7.217 ( -0.184 -3.746 -0.727) 3.820 7.363 ( -0.039 -0.926 -7.392) 7.450 7.658 ( -0.657 3.052 4.247) 5.271 7.944 ( -2.049 5.160 0.703) 5.597 7.998 ( 4.127 1.763 0.688) 4.540 8.286 ( -8.829 5.987 2.550) 10.968 8.423 ( 8.958 -5.991 -0.855) 10.811 8.511 ( 4.547 -0.258 5.597) 7.215 8.688 ( -8.200 -11.600 5.786) 15.339 8.870 ( -1.384 5.729 -1.659) 6.123 9.050 ( 5.007 -1.200 -4.117) 6.592 9.152 ( -1.327 -8.168 -0.360) 8.283 9.260 ( -3.735 2.175 1.335) 4.524 9.309 ( 2.890 -3.425 3.006) 5.396 9.468 ( 1.034 -0.104 -16.317) 16.350 9.972 ( -1.107 7.896 -6.384) 10.214 10.099 ( -5.887 5.374 -2.244) 8.281 10.125 ( 3.677 5.069 4.644) 7.796 10.355 ( 5.619 -4.591 -3.300) 7.972 10.420 ( -3.647 -0.087 -6.051) 7.066 10.479 ( 4.136 -4.050 5.754) 8.162 10.859 ( -5.354 -5.086 -2.209) 7.708 10.958 ( 1.612 -9.063 3.095) 9.712 11.227 ( -4.963 5.777 9.997) 12.567 11.427 ( 5.953 2.526 1.634) 6.670 11.609 ( 2.266 -6.202 1.159) 6.704 11.687 ( -2.262 -0.273 -12.930) 13.129 11.802 ( 0.393 -3.727 -6.327) 7.354 12.162 ( -2.421 12.106 -2.308) 12.560 12.309 ( 0.138 5.293 -4.451) 6.917 12.511 ( -0.031 4.297 6.598) 7.874 12.673 ( 3.280 -3.879 -7.089) 8.721 12.796 ( -0.993 3.515 7.543) 8.381 12.915 ( -3.424 -2.385 4.168) 5.898 12.980 ( 2.259 -9.236 -1.457) 9.619 13.673 ( 0.057 -0.161 -3.969) 3.973 13.763 ( 1.757 2.332 3.487) 4.548 13.803 ( -1.638 -1.246 5.582) 5.950 14.194 ( -0.401 -0.998 4.977) 5.092 14.435 ( 0.153 4.240 -5.938) 7.298 14.466 ( 0.038 2.653 -7.138) 7.615 14.580 ( 0.880 1.807 3.854) 4.347 14.637 ( -0.690 0.463 5.074) 5.141 14.704 ( 0.504 -3.979 8.390) 9.299 14.789 ( -0.714 -3.970 8.911) 9.781 14.993 ( 0.095 0.106 -3.993) 3.996 15.666 ( 0.012 -2.076 -2.324) 3.116 16.847 ( -0.748 5.394 2.199) 5.873 16.943 ( 1.696 -0.556 1.346) 2.236 17.023 ( -0.630 5.205 1.670) 5.502 17.152 ( -0.410 -8.471 1.519) 8.616 17.482 ( 0.189 4.941 4.124) 6.439 17.621 ( -0.120 -8.560 4.326) 9.592 17.852 ( 0.035 7.013 -6.176) 9.345 ======================= Grid point 34 (23/50) ======================= q-point: (-0.35 -0.10 0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 6.514 7.285 -11.346) 14.975 2.207 ( -0.312 -0.655 -3.893) 3.960 2.243 ( -1.427 1.167 1.760) 2.549 2.308 ( 1.379 0.286 3.986) 4.227 2.454 ( 1.573 6.093 -0.851) 6.350 2.549 ( -1.163 0.150 -5.509) 5.632 2.623 ( 8.464 2.624 -3.086) 9.383 2.706 ( -1.542 0.241 -2.656) 3.081 2.813 ( -5.681 1.330 5.101) 7.750 2.891 ( -5.401 0.424 1.797) 5.708 2.933 ( 0.252 -0.299 -4.599) 4.616 2.957 ( -0.525 -2.659 1.682) 3.190 3.002 ( 0.238 -0.708 -3.859) 3.930 3.042 ( -0.731 -0.410 -3.237) 3.344 3.092 ( -0.139 -1.981 -0.886) 2.175 3.144 ( -0.505 -2.591 4.662) 5.358 3.191 ( -3.517 -0.212 4.917) 6.050 3.273 ( 7.524 -5.043 0.726) 9.087 3.331 ( 0.924 -4.878 -0.349) 4.977 3.407 ( -3.036 -8.579 -1.297) 9.192 3.423 ( 1.726 4.609 -3.534) 6.059 3.616 ( -1.376 -1.074 -10.721) 10.862 3.682 ( -3.133 -3.888 0.358) 5.006 3.712 ( 3.168 -4.013 -4.077) 6.539 3.793 ( -0.031 0.971 -6.727) 6.797 3.837 ( -0.838 -0.277 0.591) 1.062 3.878 ( -0.634 0.025 -16.564) 16.576 3.903 ( -0.772 -1.056 -11.140) 11.216 3.971 ( -0.354 1.258 6.826) 6.950 4.049 ( 1.336 1.991 -9.377) 9.678 4.222 ( -0.173 10.027 -1.413) 10.128 4.294 ( -1.154 -1.072 8.183) 8.333 4.343 ( 3.911 5.695 4.297) 8.136 4.373 ( -0.080 1.876 5.010) 5.351 4.514 ( 1.137 1.471 0.740) 2.001 4.557 ( -3.130 -2.167 2.052) 4.325 4.705 ( -0.577 -1.593 0.389) 1.739 4.864 ( -1.995 -1.397 -1.202) 2.716 4.922 ( 1.314 -0.646 4.138) 4.390 4.978 ( 3.577 1.115 3.741) 5.295 5.015 ( -1.232 1.882 3.368) 4.050 5.050 ( -1.457 -0.697 0.940) 1.868 5.089 ( -1.026 2.642 -0.236) 2.845 5.113 ( -0.117 1.677 6.102) 6.329 5.284 ( -3.998 -1.313 3.150) 5.257 5.302 ( 0.817 -2.458 -2.038) 3.296 5.479 ( 1.873 -2.033 5.968) 6.577 5.759 ( -0.115 1.023 0.685) 1.237 5.968 ( 1.534 0.379 -2.245) 2.746 5.980 ( -0.240 -0.025 -3.186) 3.195 5.997 ( 0.830 -2.697 -3.619) 4.590 6.433 ( 0.099 -2.447 0.478) 2.496 6.479 ( -0.374 5.043 2.208) 5.518 6.595 ( 0.579 -0.917 -0.446) 1.172 6.681 ( 0.197 0.123 0.238) 0.333 6.698 ( -1.781 -1.502 2.177) 3.189 6.821 ( -2.860 1.727 -0.216) 3.348 6.919 ( 1.179 -2.225 0.042) 2.518 6.966 ( 0.212 -2.754 3.157) 4.195 7.248 ( 0.496 1.003 1.214) 1.651 7.297 ( 0.618 2.842 -0.651) 2.980 7.406 ( 3.006 -1.366 -8.314) 8.946 7.598 ( -1.425 1.261 12.087) 12.236 7.932 ( 1.732 0.805 3.066) 3.612 7.972 ( -3.706 -6.549 0.489) 7.540 8.147 ( 1.710 4.325 -5.908) 7.519 8.447 ( -0.544 0.575 0.350) 0.865 8.602 ( -7.803 4.178 -0.535) 8.867 8.774 ( -1.685 2.792 -4.659) 5.687 8.843 ( 10.167 -1.207 1.570) 10.358 9.043 ( -3.514 -5.770 1.221) 6.865 9.140 ( -2.313 -1.960 -3.096) 4.333 9.292 ( -2.529 9.113 -1.078) 9.519 9.491 ( -3.654 3.593 -6.873) 8.573 9.524 ( 9.008 3.596 1.247) 9.780 9.907 ( 5.183 -0.571 1.255) 5.363 9.991 ( -1.509 -3.838 2.596) 4.873 10.048 ( 0.758 -5.653 5.777) 8.118 10.266 ( -2.108 -4.323 1.003) 4.913 10.511 ( 0.109 6.476 -3.692) 7.455 10.627 ( 1.309 0.482 -4.103) 4.334 10.859 ( -2.432 -3.373 -4.179) 5.895 10.941 ( 6.459 -0.732 -1.122) 6.596 11.165 ( -2.691 -9.470 -2.307) 10.112 11.405 ( -13.481 11.777 -1.416) 17.957 11.675 ( 7.141 1.538 6.108) 9.522 11.816 ( 3.856 3.713 -3.674) 6.492 11.918 ( 3.188 0.227 3.908) 5.049 12.103 ( 9.327 5.240 0.987) 10.744 12.221 ( -3.421 -0.118 -5.753) 6.694 12.336 ( -4.334 -11.122 6.470) 13.577 12.557 ( -2.353 -9.732 8.332) 13.025 12.851 ( -2.506 5.701 -1.972) 6.533 12.903 ( 1.585 -1.406 2.132) 3.005 13.163 ( 5.020 1.114 -1.693) 5.414 13.687 ( 0.487 0.564 -3.145) 3.232 13.753 ( -3.434 0.937 3.939) 5.309 13.773 ( 1.207 -1.927 3.814) 4.441 14.197 ( -2.093 3.135 -4.099) 5.569 14.383 ( -3.536 1.598 -7.780) 8.694 14.447 ( 1.878 0.154 -2.211) 2.905 14.521 ( -1.770 -3.694 2.741) 4.928 14.639 ( -0.521 1.468 3.496) 3.827 14.756 ( 0.776 0.228 16.816) 16.835 14.862 ( 4.208 -0.411 -4.384) 6.090 14.994 ( -1.135 0.876 5.663) 5.842 15.717 ( 2.069 0.225 1.669) 2.668 16.773 ( -0.248 -0.862 -4.922) 5.003 16.883 ( -3.998 -2.182 1.439) 4.776 16.973 ( 1.564 -1.404 5.940) 6.301 17.331 ( 4.464 4.423 -5.613) 8.426 17.437 ( -5.665 6.804 4.338) 9.859 17.650 ( -8.091 -4.413 -5.981) 10.987 17.755 ( 8.077 -3.681 4.063) 9.762 ======================= Grid point 35 (24/50) ======================= q-point: (-0.35 -0.10 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( -7.371 -6.381 -13.684) 16.801 2.204 ( -2.012 0.885 1.761) 2.817 2.251 ( 0.467 1.640 -2.217) 2.797 2.317 ( 0.762 -1.383 4.171) 4.460 2.458 ( -3.668 -1.223 -2.118) 4.408 2.576 ( -3.143 -7.313 -5.374) 9.604 2.680 ( -2.587 -0.392 3.063) 4.028 2.701 ( 0.746 2.545 -2.063) 3.360 2.794 ( 0.383 7.565 3.701) 8.430 2.869 ( -4.325 0.655 1.500) 4.625 2.920 ( 2.304 -1.139 -1.025) 2.767 2.950 ( 0.435 0.307 -5.907) 5.931 3.036 ( 0.087 -0.423 -3.738) 3.762 3.047 ( 5.789 -0.317 1.592) 6.012 3.080 ( -1.170 0.141 -1.466) 1.881 3.104 ( 1.772 -3.949 -1.770) 4.677 3.158 ( 2.497 0.856 3.221) 4.164 3.247 ( 8.504 7.845 -2.022) 11.745 3.318 ( -2.076 2.278 0.113) 3.084 3.442 ( 6.673 -3.494 2.388) 7.902 3.502 ( -4.279 -2.939 1.503) 5.404 3.590 ( 6.847 1.385 -3.513) 7.820 3.666 ( 2.144 -0.103 -14.937) 15.091 3.715 ( 3.349 -1.013 -2.213) 4.140 3.785 ( -1.112 0.174 -4.443) 4.583 3.827 ( -1.155 0.631 -2.915) 3.198 3.865 ( -0.464 2.339 -4.394) 4.999 3.930 ( 3.305 -0.703 -17.288) 17.615 3.984 ( -1.189 -0.130 0.396) 1.260 4.038 ( -2.087 -0.931 -4.530) 5.074 4.288 ( -8.759 -0.211 5.682) 10.443 4.293 ( -0.785 0.318 7.191) 7.241 4.303 ( -4.186 -1.659 -0.060) 4.504 4.368 ( -1.987 1.034 5.489) 5.928 4.507 ( -2.196 -1.181 0.335) 2.516 4.559 ( 2.599 1.729 1.630) 3.522 4.704 ( 1.554 0.577 0.389) 1.703 4.853 ( 0.880 2.797 -0.965) 3.087 4.913 ( 0.233 -3.109 2.132) 3.777 5.000 ( 0.600 -2.268 3.650) 4.339 5.014 ( -1.083 0.940 1.681) 2.209 5.059 ( -1.300 0.406 5.614) 5.777 5.101 ( -3.777 4.363 1.713) 6.019 5.107 ( -0.722 -2.162 3.690) 4.337 5.209 ( 1.834 1.601 -1.243) 2.733 5.340 ( 1.906 1.375 -0.200) 2.359 5.498 ( 2.753 -1.581 7.595) 8.232 5.753 ( -1.277 -0.127 0.108) 1.288 5.963 ( -0.109 -0.850 -2.853) 2.979 5.977 ( 0.123 0.057 -3.436) 3.439 6.013 ( 2.778 -1.119 -1.935) 3.566 6.434 ( 2.178 0.247 0.730) 2.311 6.473 ( -5.164 0.293 1.318) 5.337 6.618 ( 2.058 -2.682 2.205) 4.036 6.657 ( 0.432 1.649 -0.692) 1.840 6.695 ( -0.006 2.328 0.039) 2.329 6.840 ( -1.734 2.093 1.728) 3.221 6.930 ( 3.963 -1.714 -0.486) 4.345 6.936 ( 0.677 0.252 1.964) 2.093 7.246 ( -1.181 -0.790 0.724) 1.595 7.310 ( -2.737 -0.669 0.830) 2.937 7.386 ( 0.944 -2.503 -8.752) 9.152 7.606 ( -0.889 2.595 11.190) 11.521 7.896 ( 0.000 1.624 -0.514) 1.704 7.976 ( 2.599 -2.883 0.968) 4.001 8.218 ( 2.568 2.689 0.554) 3.759 8.409 ( -3.260 -1.528 -2.893) 4.618 8.573 ( -7.592 1.980 -2.160) 8.137 8.787 ( 2.901 -0.653 -0.798) 3.079 8.919 ( 0.253 3.162 3.827) 4.971 8.992 ( 1.665 1.561 -0.665) 2.377 9.157 ( 5.373 1.393 -4.102) 6.902 9.299 ( -9.186 -4.809 -0.409) 10.377 9.429 ( -5.035 5.045 -4.181) 8.263 9.550 ( -3.473 -7.157 -3.277) 8.604 9.900 ( 1.862 -1.453 -1.003) 2.565 9.989 ( 2.543 1.052 8.008) 8.468 10.091 ( 7.758 3.548 5.119) 9.949 10.201 ( -0.416 -2.744 -5.697) 6.337 10.519 ( -1.519 -5.959 -1.319) 6.290 10.620 ( -4.224 -3.371 -4.476) 7.017 10.850 ( 1.599 5.042 -1.904) 5.622 11.021 ( 7.490 2.502 1.067) 7.968 11.143 ( 4.355 6.230 -1.814) 7.814 11.387 ( -7.235 0.481 -3.621) 8.105 11.736 ( -8.512 0.466 1.184) 8.607 11.795 ( 1.072 -13.306 9.367) 16.307 11.865 ( -2.161 0.180 -7.026) 7.353 12.097 ( -3.563 -0.755 3.006) 4.722 12.279 ( -0.418 -0.254 -3.750) 3.782 12.319 ( 11.149 2.792 5.144) 12.592 12.523 ( 8.158 2.067 6.761) 10.795 12.843 ( -3.555 1.120 -1.847) 4.160 12.946 ( 2.154 0.205 5.401) 5.818 13.142 ( -2.379 -5.245 -3.686) 6.838 13.681 ( -0.787 -0.295 -3.480) 3.580 13.713 ( -1.133 1.470 0.797) 2.020 13.814 ( 2.028 0.462 7.012) 7.314 14.223 ( -2.412 2.374 -3.099) 4.589 14.377 ( -2.190 3.598 -9.564) 10.450 14.426 ( 0.252 -1.723 -0.750) 1.896 14.513 ( 2.552 1.108 1.367) 3.100 14.647 ( -1.035 0.761 3.844) 4.053 14.749 ( -0.319 -1.243 15.094) 15.148 14.887 ( 1.631 -4.394 -2.874) 5.498 14.984 ( -1.551 1.744 6.357) 6.772 15.716 ( -0.249 -2.069 1.714) 2.698 16.779 ( 1.122 0.748 -4.351) 4.555 16.871 ( 1.701 2.516 -0.783) 3.136 16.974 ( 1.318 -0.625 7.220) 7.366 17.329 ( -4.239 -2.902 -5.406) 7.457 17.453 ( -7.136 3.442 5.566) 9.682 17.638 ( 4.884 8.402 -7.006) 11.980 17.758 ( 3.638 -7.681 3.914) 9.357 ======================= Grid point 36 (25/50) ======================= q-point: (-0.11 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( -0.000 0.000 -23.670) 23.670 0.939 ( -0.000 0.000 -23.670) 23.670 1.917 ( -0.000 0.000 -38.368) 38.368 2.180 ( -0.000 0.000 -6.800) 6.800 2.325 ( -0.000 0.000 -7.493) 7.493 2.419 ( 0.000 -0.000 0.402) 0.402 2.419 ( 0.000 -0.000 0.402) 0.402 2.705 ( -0.000 0.000 -12.852) 12.852 2.705 ( -0.000 0.000 -12.852) 12.852 2.748 ( -0.000 0.000 -5.210) 5.210 2.822 ( -0.000 0.000 -15.276) 15.276 2.827 ( -0.000 0.000 -14.541) 14.541 2.828 ( -0.000 0.000 -2.095) 2.095 2.828 ( -0.000 0.000 -2.095) 2.095 3.000 ( 0.000 -0.000 0.399) 0.399 3.000 ( 0.000 -0.000 0.399) 0.399 3.093 ( -0.000 0.000 -1.402) 1.402 3.176 ( -0.000 0.000 -6.059) 6.059 3.342 ( -0.000 0.000 -7.027) 7.027 3.342 ( -0.000 0.000 -7.027) 7.027 3.354 ( 0.000 -0.000 8.968) 8.968 3.476 ( 0.000 -0.000 4.433) 4.433 3.506 ( -0.000 0.000 -0.030) 0.030 3.506 ( -0.000 0.000 -0.030) 0.030 3.568 ( -0.000 0.000 -2.062) 2.062 3.852 ( 0.000 -0.000 2.787) 2.787 3.867 ( 0.000 -0.000 1.105) 1.105 4.041 ( 0.000 -0.000 4.391) 4.391 4.050 ( 0.000 -0.000 2.566) 2.566 4.218 ( 0.000 -0.000 2.672) 2.672 4.218 ( 0.000 -0.000 2.672) 2.672 4.236 ( -0.000 0.000 -0.575) 0.575 4.400 ( -0.000 0.000 -0.058) 0.058 4.400 ( -0.000 0.000 -0.058) 0.058 4.425 ( 0.000 -0.000 1.310) 1.310 4.607 ( 0.000 -0.000 2.128) 2.128 4.797 ( 0.000 -0.000 4.664) 4.664 4.848 ( -0.000 0.000 -3.620) 3.620 5.006 ( 0.000 -0.000 2.398) 2.398 5.006 ( 0.000 -0.000 2.398) 2.398 5.121 ( -0.000 0.000 -4.957) 4.957 5.242 ( 0.000 -0.000 2.157) 2.157 5.242 ( 0.000 -0.000 2.157) 2.157 5.304 ( 0.000 -0.000 6.024) 6.024 5.531 ( -0.000 0.000 -0.405) 0.405 5.531 ( -0.000 0.000 -0.405) 0.405 5.621 ( -0.000 0.000 -0.965) 0.965 5.697 ( 0.000 -0.000 0.816) 0.816 5.755 ( -0.000 0.000 -1.531) 1.531 5.755 ( -0.000 0.000 -1.531) 1.531 5.925 ( 0.000 -0.000 2.556) 2.556 6.432 ( 0.000 -0.000 0.274) 0.274 6.683 ( 0.000 -0.000 4.806) 4.806 6.683 ( 0.000 -0.000 4.806) 4.806 6.847 ( 0.000 -0.000 3.108) 3.108 6.847 ( 0.000 -0.000 3.108) 3.108 6.867 ( -0.000 0.000 -4.774) 4.774 7.046 ( 0.000 -0.000 5.456) 5.456 7.199 ( 0.000 -0.000 1.919) 1.919 7.199 ( 0.000 -0.000 1.919) 1.919 7.247 ( 0.000 -0.000 3.359) 3.359 7.268 ( 0.000 -0.000 2.373) 2.373 7.564 ( -0.000 0.000 -0.916) 0.916 8.210 ( 0.000 -0.000 4.386) 4.386 8.210 ( 0.000 -0.000 4.386) 4.386 8.301 ( 0.000 -0.000 0.841) 0.841 8.364 ( -0.000 0.000 -0.195) 0.195 8.729 ( -0.000 0.000 -0.924) 0.924 8.729 ( -0.000 0.000 -0.924) 0.924 8.893 ( -0.000 0.000 -1.787) 1.787 8.913 ( -0.000 0.000 -6.766) 6.766 9.061 ( 0.000 -0.000 4.924) 4.924 9.061 ( 0.000 -0.000 4.924) 4.924 9.317 ( -0.000 0.000 -6.938) 6.938 9.375 ( 0.000 -0.000 2.439) 2.439 9.692 ( -0.000 0.000 -7.163) 7.163 9.692 ( -0.000 0.000 -7.163) 7.163 9.779 ( 0.000 -0.000 1.400) 1.400 10.247 ( -0.000 0.000 -3.714) 3.714 10.486 ( -0.000 0.000 -2.907) 2.907 10.716 ( -0.000 0.000 -5.658) 5.658 10.716 ( -0.000 0.000 -5.658) 5.658 10.867 ( -0.000 0.000 -5.138) 5.138 11.172 ( -0.000 0.000 -10.119) 10.119 11.349 ( -0.000 0.000 -3.423) 3.423 11.349 ( -0.000 0.000 -3.423) 3.423 11.571 ( 0.000 -0.000 1.909) 1.909 12.093 ( -0.000 0.000 -8.013) 8.013 12.093 ( -0.000 0.000 -8.013) 8.013 12.156 ( 0.000 -0.000 13.786) 13.786 12.256 ( -0.000 0.000 -1.195) 1.195 12.884 ( 0.000 -0.000 0.922) 0.922 12.884 ( 0.000 -0.000 0.922) 0.922 13.103 ( -0.000 0.000 -1.863) 1.863 13.161 ( 0.000 -0.000 26.380) 26.380 13.813 ( -0.000 0.000 -0.351) 0.351 13.813 ( -0.000 0.000 -0.351) 0.351 13.813 ( 0.000 -0.000 0.094) 0.094 14.382 ( -0.000 0.000 -0.991) 0.991 14.382 ( -0.000 0.000 -0.991) 0.991 14.391 ( -0.000 0.000 -10.694) 10.694 14.518 ( -0.000 0.000 -1.309) 1.309 14.635 ( 0.000 -0.000 2.943) 2.943 15.004 ( 0.000 -0.000 10.676) 10.676 15.004 ( 0.000 -0.000 10.676) 10.676 15.643 ( 0.000 -0.000 21.354) 21.354 15.749 ( 0.000 -0.000 12.739) 12.739 17.018 ( 0.000 -0.000 2.540) 2.540 17.018 ( 0.000 -0.000 2.540) 2.540 17.205 ( 0.000 -0.000 1.819) 1.819 17.381 ( 0.000 -0.000 12.169) 12.169 17.474 ( -0.000 0.000 -17.612) 17.612 17.704 ( 0.000 -0.000 4.807) 4.807 17.704 ( 0.000 -0.000 4.807) 4.807 ======================= Grid point 37 (26/50) ======================= q-point: (-0.11 -0.11 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 14.689 9.908 -17.993) 25.253 1.550 ( 23.219 27.436 -11.671) 37.790 1.979 ( 3.134 3.308 -34.464) 34.764 2.127 ( -4.815 -3.012 -7.971) 9.788 2.296 ( 0.104 -2.435 -10.488) 10.768 2.398 ( -2.614 -0.918 -5.139) 5.839 2.444 ( -0.186 -2.251 -1.239) 2.576 2.562 ( -5.347 -1.875 -7.582) 9.465 2.624 ( 1.668 -4.626 -8.552) 9.865 2.737 ( 0.162 2.628 -7.497) 7.945 2.788 ( -0.963 1.539 -11.687) 11.827 2.840 ( -5.694 4.662 -3.548) 8.170 2.861 ( -1.037 -4.583 -1.587) 4.960 2.900 ( 2.509 1.618 -8.927) 9.413 2.990 ( 1.776 1.320 -3.336) 4.003 3.006 ( 5.122 -3.591 -1.939) 6.549 3.091 ( -2.420 -3.180 -7.171) 8.209 3.171 ( 1.381 2.270 -3.213) 4.169 3.198 ( -6.426 -3.957 -11.583) 13.824 3.295 ( -4.225 -5.892 5.381) 9.029 3.408 ( 2.637 1.514 -2.143) 3.720 3.436 ( -1.448 0.754 5.541) 5.777 3.479 ( -3.767 -3.859 2.103) 5.789 3.538 ( -0.099 3.882 2.355) 4.542 3.623 ( 0.719 -3.266 0.696) 3.416 3.746 ( -4.358 -9.339 2.269) 10.552 3.851 ( -2.079 0.596 2.194) 3.081 3.923 ( 0.650 -1.843 1.745) 2.620 4.029 ( -0.155 -2.061 1.181) 2.381 4.118 ( -2.118 4.186 1.172) 4.835 4.204 ( -0.999 -1.264 0.120) 1.616 4.311 ( -2.263 2.966 -0.810) 3.818 4.374 ( 2.205 2.410 -0.615) 3.323 4.478 ( 1.225 3.620 2.062) 4.343 4.538 ( 8.035 1.158 1.446) 8.246 4.676 ( 0.560 1.436 -0.111) 1.545 4.780 ( -2.007 -0.466 4.318) 4.785 4.874 ( 1.228 1.645 -2.764) 3.444 4.936 ( -0.168 -4.596 0.155) 4.602 5.031 ( 1.723 0.376 2.835) 3.339 5.134 ( -3.289 0.021 1.748) 3.724 5.204 ( -0.389 -0.682 3.477) 3.564 5.234 ( 0.375 -0.621 0.153) 0.741 5.247 ( -0.656 -2.228 2.205) 3.202 5.441 ( -5.216 -1.840 2.252) 5.972 5.606 ( 4.390 1.382 0.885) 4.687 5.653 ( 1.700 -2.655 -4.574) 5.555 5.703 ( -1.509 3.591 -1.762) 4.275 5.755 ( 0.237 -0.062 0.115) 0.270 5.793 ( 0.178 2.276 -1.165) 2.564 5.940 ( 0.516 0.412 4.820) 4.865 6.478 ( 1.760 2.075 1.259) 2.998 6.596 ( -3.253 -4.616 3.143) 6.463 6.690 ( -4.350 -1.913 2.360) 5.306 6.721 ( 0.380 0.058 2.596) 2.624 6.820 ( 0.304 -4.557 1.259) 4.737 6.896 ( -0.376 4.822 -0.652) 4.881 7.002 ( -5.327 -4.309 -0.054) 6.851 7.140 ( -0.923 -3.569 4.314) 5.674 7.184 ( 2.053 -3.436 1.543) 4.289 7.281 ( -1.600 3.795 -0.228) 4.125 7.348 ( 2.765 2.147 5.900) 6.861 7.688 ( 7.936 9.958 -2.774) 13.032 8.058 ( -3.185 1.245 3.868) 5.163 8.135 ( 6.684 -12.454 3.237) 14.500 8.297 ( -6.401 5.074 7.130) 10.842 8.446 ( -4.742 -7.215 2.391) 8.959 8.529 ( -2.340 0.557 -2.757) 3.659 8.674 ( -9.030 2.304 -2.707) 9.705 8.877 ( 0.556 -8.010 -1.459) 8.161 9.012 ( 2.748 -0.208 -5.365) 6.031 9.112 ( 4.727 3.139 6.593) 8.699 9.126 ( 2.131 4.655 -7.478) 9.063 9.354 ( -1.731 4.106 -3.127) 5.444 9.421 ( 2.548 -1.045 -3.663) 4.583 9.748 ( 4.503 0.362 -0.946) 4.616 9.801 ( 2.614 8.269 -4.639) 9.835 9.907 ( 10.989 2.207 0.954) 11.249 10.224 ( -1.916 -0.292 -2.895) 3.484 10.446 ( -4.106 -0.902 -1.397) 4.430 10.609 ( 0.641 -0.230 -0.654) 0.944 10.809 ( 1.401 4.891 -6.882) 8.559 10.950 ( -2.704 -2.026 -9.995) 10.550 11.113 ( -2.038 -5.374 -1.429) 5.923 11.155 ( -3.722 -2.464 -3.167) 5.473 11.428 ( 3.191 2.879 -8.472) 9.500 11.511 ( -2.871 -3.835 -4.010) 6.248 11.974 ( -3.179 -4.803 -8.977) 10.666 12.151 ( 1.715 3.898 -6.337) 7.635 12.321 ( 1.204 2.357 -4.223) 4.984 12.434 ( 9.343 10.269 17.444) 22.294 12.846 ( 1.690 -4.710 3.104) 5.889 12.920 ( 3.460 3.414 3.146) 5.790 13.080 ( -2.186 -1.256 0.090) 2.523 13.244 ( -1.774 3.281 19.495) 19.849 13.708 ( -1.686 -1.095 -1.058) 2.272 13.837 ( 3.972 2.423 6.732) 8.183 13.890 ( -1.109 -0.404 -4.855) 4.996 14.177 ( -3.934 -7.010 0.537) 8.057 14.318 ( -4.061 -0.049 -2.672) 4.861 14.422 ( -0.863 -4.134 -0.389) 4.241 14.550 ( 3.007 2.968 -3.780) 5.669 14.703 ( 1.286 3.085 1.140) 3.531 15.009 ( 2.951 -3.786 5.358) 7.194 15.152 ( 2.185 8.165 11.793) 14.509 15.609 ( -1.102 -0.969 19.791) 19.845 15.808 ( 3.394 3.585 12.023) 12.997 16.773 ( -8.949 -9.708 0.027) 13.203 17.004 ( 0.452 -2.371 0.078) 2.415 17.214 ( -6.771 -0.575 -3.182) 7.504 17.333 ( -3.759 -0.036 -3.777) 5.329 17.355 ( 2.620 -3.816 8.717) 9.870 17.750 ( 2.697 0.361 5.086) 5.768 17.764 ( 1.146 3.214 3.370) 4.796 ======================= Grid point 38 (27/50) ======================= q-point: (-0.11 -0.11 -0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 0.000 0.000 -12.942) 12.942 1.871 ( 0.000 0.000 -8.102) 8.102 2.128 ( -0.000 -0.000 -23.663) 23.663 2.155 ( 0.000 0.000 -33.851) 33.851 2.292 ( 0.000 -0.000 0.182) 0.182 2.344 ( 0.000 0.000 -3.522) 3.522 2.482 ( 0.000 0.000 0.277) 0.277 2.580 ( 0.000 0.000 -6.128) 6.128 2.613 ( -0.000 -0.000 -9.086) 9.086 2.664 ( -0.000 -0.000 -2.435) 2.435 2.744 ( 0.000 0.000 -5.416) 5.416 2.843 ( 0.000 0.000 -12.720) 12.720 2.891 ( 0.000 0.000 -1.866) 1.866 2.934 ( 0.000 0.000 -0.361) 0.361 2.948 ( 0.000 0.000 -6.320) 6.320 2.998 ( 0.000 -0.000 -6.274) 6.274 3.020 ( -0.000 0.000 -2.263) 2.263 3.069 ( 0.000 0.000 -11.498) 11.498 3.077 ( -0.000 0.000 -6.257) 6.257 3.176 ( 0.000 0.000 2.782) 2.782 3.270 ( 0.000 0.000 -4.276) 4.276 3.413 ( 0.000 0.000 4.629) 4.629 3.462 ( -0.000 0.000 0.563) 0.563 3.580 ( 0.000 0.000 2.145) 2.145 3.621 ( 0.000 -0.000 9.320) 9.320 3.683 ( 0.000 0.000 0.161) 0.161 3.903 ( -0.000 -0.000 -3.173) 3.173 3.931 ( 0.000 0.000 2.937) 2.937 3.950 ( 0.000 -0.000 3.421) 3.421 4.184 ( 0.000 0.000 0.621) 0.621 4.186 ( -0.000 -0.000 -1.701) 1.701 4.287 ( 0.000 0.000 -3.510) 3.510 4.464 ( 0.000 0.000 0.556) 0.556 4.573 ( 0.000 0.000 2.124) 2.124 4.590 ( -0.000 -0.000 -0.266) 0.266 4.678 ( 0.000 0.000 4.341) 4.341 4.707 ( 0.000 0.000 0.765) 0.765 4.888 ( 0.000 0.000 1.005) 1.005 4.926 ( 0.000 0.000 -1.255) 1.255 5.049 ( 0.000 0.000 4.998) 4.998 5.147 ( 0.000 0.000 -0.189) 0.189 5.176 ( 0.000 0.000 2.586) 2.586 5.205 ( -0.000 0.000 2.947) 2.947 5.244 ( 0.000 0.000 -1.312) 1.312 5.334 ( 0.000 0.000 3.254) 3.254 5.645 ( 0.000 -0.000 -8.185) 8.185 5.668 ( 0.000 0.000 1.621) 1.621 5.717 ( -0.000 0.000 -2.619) 2.619 5.758 ( 0.000 0.000 -1.031) 1.031 5.828 ( 0.000 0.000 2.723) 2.723 5.941 ( 0.000 0.000 5.418) 5.418 6.426 ( 0.000 0.000 0.914) 0.914 6.617 ( 0.000 0.000 0.383) 0.383 6.642 ( 0.000 0.000 2.970) 2.970 6.722 ( 0.000 -0.000 0.452) 0.452 6.745 ( 0.000 0.000 0.993) 0.993 6.878 ( 0.000 0.000 0.244) 0.244 7.004 ( 0.000 0.000 5.933) 5.933 7.021 ( -0.000 -0.000 0.143) 0.143 7.172 ( 0.000 0.000 -0.844) 0.844 7.309 ( 0.000 0.000 -1.041) 1.041 7.410 ( 0.000 0.000 6.450) 6.450 7.952 ( 0.000 -0.000 3.494) 3.494 8.004 ( 0.000 0.000 -2.286) 2.286 8.136 ( -0.000 0.000 10.298) 10.298 8.250 ( 0.000 0.000 12.312) 12.312 8.328 ( 0.000 0.000 -7.211) 7.211 8.488 ( -0.000 0.000 -2.516) 2.516 8.575 ( 0.000 0.000 -2.607) 2.607 8.781 ( 0.000 0.000 -3.193) 3.193 9.013 ( 0.000 0.000 -2.345) 2.345 9.192 ( 0.000 0.000 -11.582) 11.582 9.229 ( 0.000 0.000 2.221) 2.221 9.372 ( 0.000 0.000 -3.164) 3.164 9.419 ( 0.000 0.000 0.174) 0.174 9.848 ( -0.000 -0.000 -13.107) 13.107 9.866 ( 0.000 0.000 1.662) 1.662 10.108 ( -0.000 0.000 -4.933) 4.933 10.191 ( 0.000 -0.000 8.431) 8.431 10.490 ( 0.000 0.000 -0.125) 0.125 10.572 ( -0.000 -0.000 -0.957) 0.957 10.751 ( 0.000 -0.000 2.015) 2.015 10.883 ( 0.000 0.000 -5.549) 5.549 11.091 ( 0.000 0.000 -9.711) 9.711 11.110 ( 0.000 0.000 5.149) 5.149 11.427 ( 0.000 0.000 -9.619) 9.619 11.498 ( 0.000 0.000 -15.097) 15.097 11.874 ( 0.000 0.000 -10.350) 10.350 12.228 ( 0.000 0.000 -5.389) 5.389 12.334 ( -0.000 0.000 -3.380) 3.380 12.700 ( 0.000 0.000 -0.666) 0.666 12.807 ( 0.000 -0.000 22.992) 22.992 12.997 ( 0.000 0.000 1.053) 1.053 13.062 ( -0.000 0.000 4.623) 4.623 13.168 ( -0.000 0.000 8.231) 8.231 13.726 ( 0.000 0.000 -3.154) 3.154 13.773 ( 0.000 0.000 -4.936) 4.936 14.008 ( 0.000 0.000 13.449) 13.449 14.104 ( 0.000 0.000 0.780) 0.780 14.217 ( 0.000 0.000 0.296) 0.296 14.359 ( 0.000 0.000 -1.464) 1.464 14.667 ( 0.000 0.000 -2.926) 2.926 14.705 ( 0.000 0.000 2.260) 2.260 14.982 ( 0.000 0.000 0.086) 0.086 15.256 ( 0.000 0.000 14.448) 14.448 15.596 ( 0.000 0.000 18.329) 18.329 15.929 ( 0.000 0.000 8.981) 8.981 16.542 ( 0.000 0.000 2.773) 2.773 16.965 ( 0.000 0.000 -5.882) 5.882 17.127 ( 0.000 0.000 -2.395) 2.395 17.300 ( 0.000 0.000 4.170) 4.170 17.361 ( 0.000 0.000 8.340) 8.340 17.781 ( 0.000 0.000 5.462) 5.462 17.811 ( 0.000 0.000 2.381) 2.381 ======================= Grid point 41 (28/50) ======================= q-point: ( 0.12 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.433 ( 0.028 23.667 -0.000) 23.667 0.505 ( -5.164 27.277 -0.000) 27.762 0.959 ( 2.955 51.299 -0.000) 51.384 1.884 ( 0.438 -7.692 0.000) 7.705 2.084 ( 0.592 -0.790 0.000) 0.987 2.205 ( -2.070 -8.789 0.000) 9.030 2.372 ( -1.298 -10.524 0.000) 10.604 2.401 ( 2.347 6.081 -0.000) 6.519 2.450 ( 1.033 -0.648 0.000) 1.219 2.615 ( -0.551 9.052 -0.000) 9.069 2.625 ( -1.584 -4.732 0.000) 4.990 2.696 ( -1.434 6.493 -0.000) 6.649 2.776 ( 5.212 -7.180 0.000) 8.872 2.877 ( -0.207 -13.231 0.000) 13.233 2.885 ( -0.771 1.964 -0.000) 2.110 2.905 ( 0.784 -2.364 0.000) 2.490 3.043 ( -5.160 1.735 -0.000) 5.444 3.146 ( 1.909 5.319 -0.000) 5.652 3.176 ( 3.073 -2.238 0.000) 3.801 3.186 ( -3.154 0.087 -0.000) 3.155 3.465 ( 1.897 -5.857 0.000) 6.157 3.512 ( 0.067 10.500 -0.000) 10.500 3.530 ( -0.983 0.347 -0.000) 1.042 3.580 ( 0.327 0.899 -0.000) 0.956 3.712 ( 0.198 0.120 0.000) 0.232 3.884 ( -1.312 -1.652 0.000) 2.110 3.901 ( -0.051 -0.800 0.000) 0.801 4.043 ( -3.277 -5.531 0.000) 6.429 4.064 ( 0.168 0.282 -0.000) 0.328 4.081 ( 0.586 -2.850 0.000) 2.909 4.255 ( -0.722 -1.074 0.000) 1.294 4.281 ( 1.191 1.217 -0.000) 1.703 4.347 ( 15.501 -5.658 0.000) 16.501 4.417 ( -11.220 -5.381 -0.000) 12.444 4.481 ( -0.736 4.188 -0.000) 4.252 4.661 ( -1.226 0.027 -0.000) 1.226 4.791 ( 0.283 3.879 -0.000) 3.889 4.902 ( -0.022 -3.430 0.000) 3.430 4.996 ( -4.451 -1.304 -0.000) 4.638 5.097 ( 8.025 3.826 0.000) 8.891 5.149 ( -4.096 3.591 -0.000) 5.448 5.249 ( -0.899 -4.883 0.000) 4.965 5.285 ( 0.952 -1.356 0.000) 1.657 5.369 ( -0.555 -0.945 0.000) 1.096 5.434 ( 0.618 -6.780 0.000) 6.808 5.523 ( 0.429 -5.461 0.000) 5.478 5.642 ( 0.690 3.857 -0.000) 3.918 5.664 ( 0.771 4.571 -0.000) 4.636 5.735 ( -6.071 -2.961 -0.000) 6.755 5.793 ( 6.271 1.615 0.000) 6.476 6.030 ( -0.692 1.854 -0.000) 1.979 6.477 ( 0.758 -1.984 0.000) 2.124 6.484 ( -0.168 3.994 -0.000) 3.998 6.728 ( -0.827 -1.462 0.000) 1.680 6.813 ( -1.997 2.173 -0.000) 2.951 6.829 ( -1.118 -6.567 0.000) 6.662 6.930 ( 1.517 -1.599 0.000) 2.204 6.940 ( 0.667 1.359 -0.000) 1.514 7.159 ( 0.648 -4.527 0.000) 4.573 7.240 ( -0.489 -0.295 -0.000) 0.571 7.417 ( 0.501 2.734 -0.000) 2.779 7.444 ( 0.679 11.316 -0.000) 11.336 7.579 ( -1.200 -0.714 -0.000) 1.397 8.082 ( 0.799 -8.507 0.000) 8.544 8.300 ( -2.724 -1.638 -0.000) 3.179 8.323 ( -0.784 1.631 -0.000) 1.810 8.677 ( 2.693 1.915 0.000) 3.304 8.690 ( 0.923 -3.304 0.000) 3.430 8.771 ( 0.521 -0.963 0.000) 1.095 8.839 ( -0.134 -7.622 0.000) 7.623 8.855 ( -1.815 0.828 -0.000) 1.995 9.087 ( 1.187 -1.525 0.000) 1.932 9.097 ( 5.436 -0.099 0.000) 5.437 9.112 ( -1.552 0.541 -0.000) 1.644 9.257 ( 0.474 -0.119 0.000) 0.488 9.470 ( 2.946 3.921 -0.000) 4.904 9.786 ( -8.195 6.492 -0.000) 10.455 10.067 ( -0.354 8.767 -0.000) 8.774 10.149 ( -3.641 -1.247 -0.000) 3.849 10.320 ( 2.775 2.098 0.000) 3.479 10.492 ( -0.468 0.128 -0.000) 0.485 10.541 ( 0.167 4.927 -0.000) 4.929 10.700 ( 0.433 1.221 -0.000) 1.296 10.931 ( -0.208 -2.010 0.000) 2.020 11.252 ( 1.945 -4.525 0.000) 4.926 11.327 ( -1.721 2.139 -0.000) 2.746 11.644 ( -0.013 -2.128 0.000) 2.128 11.722 ( 1.038 -13.320 0.000) 13.361 11.838 ( 0.217 5.033 -0.000) 5.038 12.235 ( -0.483 2.414 -0.000) 2.462 12.630 ( 3.144 6.436 -0.000) 7.163 12.871 ( -5.058 -2.801 -0.000) 5.782 13.118 ( 0.015 1.311 -0.000) 1.311 13.218 ( -0.003 0.006 -0.000) 0.007 13.487 ( 2.816 -6.054 0.000) 6.677 13.683 ( 2.472 -1.094 0.000) 2.703 13.866 ( -7.120 -0.165 -0.000) 7.122 13.917 ( 0.923 -0.318 0.000) 0.976 14.121 ( 4.495 1.032 0.000) 4.612 14.282 ( -0.202 -0.555 0.000) 0.591 14.284 ( 0.200 -0.353 0.000) 0.406 14.421 ( 0.175 -4.474 0.000) 4.477 14.741 ( -0.052 1.084 -0.000) 1.085 15.164 ( -13.784 0.900 -0.000) 13.813 15.323 ( 12.756 8.276 0.000) 15.205 15.984 ( 0.242 -0.633 0.000) 0.677 16.208 ( -0.278 5.167 -0.000) 5.174 16.814 ( 0.140 0.705 -0.000) 0.719 17.029 ( 0.140 -5.576 0.000) 5.577 17.147 ( -0.321 -5.465 0.000) 5.474 17.426 ( 0.965 5.753 -0.000) 5.833 17.634 ( -0.956 -2.577 0.000) 2.748 17.817 ( -0.362 -1.470 0.000) 1.514 17.906 ( 0.259 4.417 -0.000) 4.424 ======================= Grid point 42 (29/50) ======================= q-point: ( 0.12 -0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 8.393 20.084 -0.000) 21.767 1.111 ( 14.400 21.238 -0.000) 25.660 1.540 ( -15.471 -9.894 -0.000) 18.364 1.876 ( -12.540 -9.720 -0.000) 15.866 2.068 ( 15.688 38.098 -0.000) 41.202 2.211 ( 12.582 -4.085 0.000) 13.229 2.238 ( 4.909 -3.536 0.000) 6.050 2.414 ( 2.365 -3.931 0.000) 4.588 2.480 ( 2.096 -7.121 0.000) 7.423 2.526 ( 2.560 -4.938 0.000) 5.562 2.663 ( 1.102 -8.424 0.000) 8.496 2.686 ( -0.440 0.088 -0.000) 0.448 2.742 ( -2.017 3.344 -0.000) 3.905 2.773 ( -1.011 0.633 -0.000) 1.193 2.914 ( 4.374 -1.498 0.000) 4.623 2.943 ( -10.395 1.961 -0.000) 10.579 2.982 ( 0.131 5.287 -0.000) 5.288 2.994 ( -7.501 3.666 -0.000) 8.349 3.185 ( -5.186 -9.250 0.000) 10.604 3.301 ( -12.749 -5.662 -0.000) 13.950 3.353 ( 9.044 -3.354 0.000) 9.646 3.355 ( -8.065 1.470 -0.000) 8.198 3.564 ( -1.550 0.935 -0.000) 1.810 3.639 ( 2.296 -2.024 0.000) 3.061 3.668 ( -2.890 8.197 -0.000) 8.691 3.833 ( -0.012 -0.285 0.000) 0.285 3.858 ( -2.740 -0.069 -0.000) 2.741 3.974 ( 0.139 0.569 -0.000) 0.586 4.053 ( 1.348 0.126 0.000) 1.354 4.094 ( 1.377 0.404 0.000) 1.435 4.184 ( -2.149 -1.311 -0.000) 2.518 4.240 ( -2.066 -1.446 -0.000) 2.522 4.388 ( 6.084 -1.164 0.000) 6.195 4.546 ( -0.591 4.054 -0.000) 4.097 4.599 ( 2.343 -0.687 0.000) 2.442 4.606 ( 9.415 -2.796 0.000) 9.822 4.838 ( -3.545 -6.142 0.000) 7.091 4.877 ( 2.383 -3.384 0.000) 4.138 4.925 ( 2.163 5.755 -0.000) 6.148 5.035 ( 5.539 -6.250 0.000) 8.351 5.106 ( -2.494 -4.949 0.000) 5.542 5.243 ( 2.351 -3.898 0.000) 4.552 5.282 ( 0.637 1.206 -0.000) 1.364 5.322 ( -2.807 4.088 -0.000) 4.960 5.384 ( -3.739 -6.085 0.000) 7.142 5.428 ( 2.343 -2.048 0.000) 3.112 5.597 ( -1.737 -1.473 -0.000) 2.277 5.690 ( -2.221 3.040 -0.000) 3.765 5.746 ( -2.879 4.643 -0.000) 5.463 5.918 ( 5.385 -2.354 0.000) 5.877 6.006 ( -2.692 0.638 -0.000) 2.766 6.491 ( -2.854 3.086 -0.000) 4.204 6.607 ( 2.150 6.186 -0.000) 6.548 6.663 ( 0.740 -0.176 0.000) 0.761 6.734 ( -0.648 -2.172 0.000) 2.267 6.800 ( -2.872 -1.749 -0.000) 3.363 6.880 ( -4.112 -1.453 -0.000) 4.362 6.955 ( 3.396 1.624 0.000) 3.765 7.096 ( -0.415 -4.296 0.000) 4.316 7.206 ( -1.685 0.099 -0.000) 1.688 7.380 ( -2.602 1.393 -0.000) 2.952 7.698 ( 10.255 -3.705 0.000) 10.904 7.820 ( 15.413 6.082 0.000) 16.570 7.913 ( -1.149 -3.282 0.000) 3.477 8.190 ( -0.501 -9.050 0.000) 9.064 8.267 ( -8.242 4.753 -0.000) 9.514 8.508 ( 0.162 -9.692 0.000) 9.693 8.772 ( 2.378 -4.147 0.000) 4.781 8.785 ( -7.402 4.947 -0.000) 8.903 8.794 ( 1.208 2.033 -0.000) 2.365 8.861 ( -1.862 5.896 -0.000) 6.182 8.921 ( -9.617 -3.365 -0.000) 10.189 9.091 ( 2.586 -1.274 0.000) 2.883 9.096 ( -0.899 1.133 -0.000) 1.446 9.254 ( -1.987 0.728 -0.000) 2.116 9.779 ( 4.585 -3.897 0.000) 6.017 9.801 ( 2.715 15.493 -0.000) 15.729 9.969 ( 0.271 -9.625 0.000) 9.629 10.313 ( 9.326 6.666 0.000) 11.463 10.485 ( -0.287 0.176 -0.000) 0.337 10.555 ( 7.376 6.479 0.000) 9.818 10.629 ( 0.329 -3.627 0.000) 3.642 10.688 ( -2.642 2.399 -0.000) 3.568 10.932 ( 1.702 0.928 0.000) 1.939 11.196 ( -3.132 -0.193 -0.000) 3.138 11.304 ( -4.191 2.443 -0.000) 4.851 11.385 ( -6.288 -11.945 0.000) 13.499 11.597 ( 0.352 -2.004 0.000) 2.035 11.979 ( 0.456 5.790 -0.000) 5.808 12.254 ( -4.323 5.325 -0.000) 6.859 12.682 ( -2.428 -4.536 0.000) 5.145 12.931 ( 13.190 2.128 0.000) 13.361 13.161 ( 1.871 1.124 0.000) 2.183 13.207 ( -0.380 -1.202 0.000) 1.261 13.348 ( -6.803 -4.943 -0.000) 8.409 13.628 ( 2.928 -3.497 0.000) 4.561 13.779 ( -5.893 2.848 -0.000) 6.545 13.974 ( 3.280 2.361 0.000) 4.042 14.072 ( 0.494 -10.735 0.000) 10.746 14.266 ( -0.218 -0.372 0.000) 0.431 14.278 ( 0.009 -0.357 0.000) 0.357 14.518 ( 6.641 2.674 0.000) 7.159 14.772 ( -0.155 1.957 -0.000) 1.963 14.988 ( -7.506 1.698 -0.000) 7.696 15.654 ( 4.528 10.063 -0.000) 11.035 15.903 ( -4.830 -4.040 -0.000) 6.297 16.307 ( -1.341 5.657 -0.000) 5.814 16.838 ( -0.462 1.670 -0.000) 1.733 16.875 ( -2.440 -4.072 0.000) 4.747 17.096 ( 3.488 -4.443 0.000) 5.648 17.521 ( -0.461 -3.652 0.000) 3.681 17.557 ( -1.670 5.352 -0.000) 5.606 17.828 ( 3.961 -3.176 0.000) 5.077 17.963 ( -2.354 4.111 -0.000) 4.737 ======================= Grid point 43 (30/50) ======================= q-point: ( 0.12 -0.12 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( -20.129 -8.428 -0.000) 21.822 1.198 ( -23.283 -12.034 -0.000) 26.209 1.535 ( 9.920 14.953 -0.000) 17.944 1.758 ( 7.046 3.768 0.000) 7.990 2.065 ( -29.695 -8.867 -0.000) 30.991 2.276 ( 1.022 -3.407 0.000) 3.557 2.278 ( 4.569 -15.494 0.000) 16.153 2.386 ( 4.880 1.772 0.000) 5.192 2.455 ( 0.293 -1.245 0.000) 1.279 2.551 ( 14.173 -7.368 0.000) 15.974 2.594 ( -0.612 0.589 -0.000) 0.849 2.700 ( 1.142 -0.262 0.000) 1.172 2.751 ( 3.009 2.192 0.000) 3.723 2.769 ( -2.540 1.574 -0.000) 2.988 2.880 ( -0.807 -2.403 0.000) 2.535 2.933 ( -2.220 10.978 -0.000) 11.200 2.977 ( -3.221 0.723 -0.000) 3.301 3.083 ( 0.812 4.495 -0.000) 4.568 3.178 ( 8.376 7.894 0.000) 11.509 3.229 ( -4.810 5.057 -0.000) 6.979 3.358 ( 3.442 -8.841 0.000) 9.487 3.462 ( 3.978 13.678 -0.000) 14.245 3.532 ( 0.388 0.496 -0.000) 0.630 3.667 ( -8.242 2.899 -0.000) 8.737 3.732 ( -0.226 6.009 -0.000) 6.013 3.776 ( 1.910 -2.502 0.000) 3.148 3.861 ( -0.145 3.042 -0.000) 3.045 3.968 ( -0.182 -1.629 0.000) 1.639 4.048 ( 0.314 -2.288 0.000) 2.310 4.087 ( -0.124 -1.912 0.000) 1.916 4.179 ( 1.333 1.887 -0.000) 2.311 4.190 ( 0.716 -2.947 0.000) 3.033 4.375 ( 0.455 -5.791 0.000) 5.809 4.549 ( 0.645 -9.567 0.000) 9.588 4.579 ( -3.736 1.274 -0.000) 3.947 4.630 ( 3.872 -0.218 0.000) 3.878 4.816 ( 5.661 0.787 0.000) 5.715 4.888 ( -3.651 -2.710 -0.000) 4.546 4.936 ( 3.598 1.104 0.000) 3.763 5.125 ( 4.329 -1.510 0.000) 4.585 5.163 ( 2.512 4.785 -0.000) 5.404 5.173 ( 5.872 -7.084 0.000) 9.201 5.235 ( 0.508 -2.897 0.000) 2.941 5.320 ( -4.162 2.995 -0.000) 5.128 5.385 ( 4.757 2.942 0.000) 5.593 5.436 ( 1.799 -1.650 0.000) 2.441 5.642 ( 1.897 5.591 -0.000) 5.904 5.673 ( -3.174 1.324 -0.000) 3.439 5.730 ( -5.252 2.440 -0.000) 5.791 5.848 ( 1.209 -8.004 0.000) 8.095 6.038 ( 0.370 1.999 -0.000) 2.033 6.457 ( -2.642 1.048 -0.000) 2.842 6.614 ( -6.250 -2.076 -0.000) 6.586 6.700 ( -0.224 1.720 -0.000) 1.735 6.798 ( 1.942 -1.423 0.000) 2.407 6.813 ( 2.548 4.984 -0.000) 5.598 6.827 ( 1.581 6.433 -0.000) 6.624 6.960 ( -3.318 -5.498 0.000) 6.422 7.065 ( 5.227 0.531 0.000) 5.254 7.254 ( -0.227 4.515 -0.000) 4.521 7.334 ( -0.841 -1.027 0.000) 1.328 7.725 ( 3.852 -8.848 0.000) 9.650 7.770 ( -3.902 -14.031 0.000) 14.564 7.921 ( 1.446 -0.973 0.000) 1.743 8.270 ( 11.599 1.820 0.000) 11.741 8.273 ( -4.909 9.265 -0.000) 10.485 8.494 ( 8.218 -1.363 0.000) 8.330 8.687 ( -8.073 4.653 -0.000) 9.318 8.740 ( 1.151 -2.384 0.000) 2.648 8.792 ( 1.827 -2.161 0.000) 2.829 8.911 ( 1.374 7.734 -0.000) 7.856 8.913 ( -3.706 3.769 -0.000) 5.286 9.079 ( -1.193 -0.674 -0.000) 1.370 9.131 ( 1.120 -0.085 0.000) 1.123 9.234 ( -1.052 1.453 -0.000) 1.794 9.610 ( -5.322 -7.011 0.000) 8.802 9.902 ( 3.761 -3.283 0.000) 4.992 10.147 ( 0.675 12.253 -0.000) 12.272 10.331 ( -6.942 -8.468 0.000) 10.949 10.492 ( -5.774 -14.404 0.000) 15.518 10.507 ( -1.285 -0.416 -0.000) 1.351 10.613 ( 6.652 2.026 0.000) 6.954 10.689 ( -4.740 0.756 -0.000) 4.800 10.911 ( 0.556 -1.730 0.000) 1.817 11.170 ( -1.785 2.166 -0.000) 2.807 11.332 ( -1.111 4.849 -0.000) 4.975 11.372 ( 11.266 5.822 0.000) 12.681 11.599 ( 1.892 -0.248 0.000) 1.908 11.974 ( -6.107 -0.356 -0.000) 6.117 12.268 ( -5.000 4.673 -0.000) 6.844 12.644 ( 2.921 -0.831 0.000) 3.037 12.985 ( 1.103 -10.330 0.000) 10.389 13.160 ( -1.099 -1.890 0.000) 2.187 13.207 ( 1.178 0.374 0.000) 1.236 13.317 ( 3.111 6.069 -0.000) 6.820 13.699 ( -1.856 -2.346 0.000) 2.991 13.721 ( 4.031 5.677 -0.000) 6.962 13.940 ( 0.588 -3.971 0.000) 4.014 14.099 ( 5.987 0.592 0.000) 6.016 14.268 ( 0.370 0.416 -0.000) 0.557 14.276 ( 0.359 -0.204 0.000) 0.413 14.481 ( -2.834 -7.155 0.000) 7.695 14.774 ( -1.713 0.022 -0.000) 1.713 15.082 ( 0.526 12.202 -0.000) 12.214 15.571 ( -10.813 -8.842 -0.000) 13.968 15.912 ( 2.830 4.215 -0.000) 5.077 16.317 ( -5.749 1.854 -0.000) 6.041 16.821 ( -0.520 0.245 -0.000) 0.575 16.896 ( 2.868 2.815 0.000) 4.019 17.095 ( 4.632 -3.597 0.000) 5.865 17.466 ( -0.055 -0.812 0.000) 0.814 17.613 ( -1.846 3.233 -0.000) 3.723 17.823 ( 3.382 -4.325 0.000) 5.491 17.964 ( -4.125 2.379 -0.000) 4.762 ======================= Grid point 45 (31/50) ======================= q-point: ( 0.36 -0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( -3.278 17.202 14.973) 23.040 1.957 ( 4.901 24.853 11.350) 27.758 2.068 ( 0.514 12.923 29.579) 32.283 2.150 ( 3.040 2.955 5.762) 7.154 2.228 ( -6.198 -8.119 4.783) 11.278 2.371 ( 1.850 0.202 12.822) 12.957 2.401 ( -2.716 -2.995 1.361) 4.265 2.496 ( 0.317 -6.648 13.505) 15.056 2.602 ( 3.208 -7.738 4.662) 9.587 2.626 ( -3.536 -5.351 13.288) 14.755 2.726 ( 3.822 -1.112 6.675) 7.772 2.776 ( 1.655 -2.229 5.476) 6.139 2.852 ( 0.452 -0.609 0.998) 1.253 2.935 ( -0.966 2.627 5.919) 6.548 3.006 ( -0.548 0.323 2.970) 3.037 3.030 ( -1.658 -1.291 10.957) 11.157 3.115 ( -2.242 3.208 5.270) 6.564 3.195 ( -1.987 -4.891 -0.550) 5.308 3.241 ( 5.003 0.504 -0.715) 5.078 3.277 ( 2.663 -1.495 2.676) 4.061 3.297 ( -4.426 -0.892 3.822) 5.916 3.432 ( -1.091 -0.458 -7.586) 7.678 3.472 ( 2.176 2.592 -3.212) 4.666 3.584 ( -2.428 1.137 -1.465) 3.055 3.721 ( -2.598 5.344 0.384) 5.954 3.814 ( -6.105 -1.901 -1.032) 6.477 3.850 ( 2.377 -0.506 -2.941) 3.815 3.933 ( -2.456 0.163 -1.579) 2.924 3.948 ( 4.473 -2.994 -1.408) 5.563 4.141 ( 6.014 -0.828 -0.394) 6.083 4.175 ( 7.373 -3.746 -2.830) 8.741 4.220 ( -2.706 0.245 0.227) 2.726 4.356 ( -2.637 -2.011 0.690) 3.387 4.436 ( 0.449 0.537 2.948) 3.029 4.579 ( -3.262 2.748 -1.378) 4.482 4.684 ( 1.349 -1.264 0.904) 2.058 4.750 ( 0.875 -3.218 -4.012) 5.217 4.897 ( 0.603 1.715 1.344) 2.261 4.930 ( -0.866 -2.277 0.258) 2.450 4.957 ( -4.586 -6.332 -2.286) 8.146 5.113 ( 2.505 -2.288 -0.240) 3.401 5.166 ( -1.490 -2.407 -2.486) 3.767 5.188 ( 0.635 -0.279 -2.890) 2.972 5.264 ( -0.204 1.634 -0.051) 1.647 5.470 ( 4.621 -2.194 -1.807) 5.426 5.526 ( -5.162 -4.035 -2.332) 6.955 5.652 ( 0.137 2.654 -0.188) 2.664 5.737 ( 0.347 0.382 4.126) 4.158 5.786 ( -0.019 2.577 2.586) 3.651 5.821 ( 2.005 0.186 1.634) 2.593 5.970 ( -0.153 3.359 -5.458) 6.411 6.532 ( 0.747 5.479 -2.210) 5.955 6.598 ( -2.145 -1.467 -4.693) 5.365 6.625 ( 2.011 -3.721 -0.012) 4.230 6.711 ( 0.853 -1.215 -2.064) 2.543 6.804 ( -5.015 -1.172 -1.152) 5.277 6.905 ( 4.286 -3.499 -1.769) 5.809 6.968 ( 2.147 -2.504 0.566) 3.346 7.088 ( -3.576 -2.946 -1.952) 5.028 7.209 ( -3.088 2.872 1.276) 4.406 7.329 ( 5.113 2.464 -3.127) 6.480 7.371 ( -1.752 3.155 -4.595) 5.843 7.715 ( 0.086 5.665 3.448) 6.632 7.956 ( -2.924 -1.904 -3.178) 4.720 8.099 ( -1.404 -2.836 -1.598) 3.545 8.243 ( 2.889 -8.757 -7.062) 11.615 8.432 ( -2.053 -7.268 -2.366) 7.914 8.476 ( 3.798 -7.197 -0.336) 8.144 8.673 ( 4.192 0.755 0.600) 4.302 8.884 ( -2.722 0.960 4.558) 5.395 9.041 ( -2.751 3.069 0.680) 4.177 9.094 ( 4.319 -1.545 2.682) 5.314 9.099 ( -3.660 0.609 2.812) 4.656 9.299 ( 2.034 1.734 -0.423) 2.706 9.502 ( 0.376 0.729 4.599) 4.672 9.804 ( -0.068 4.989 2.758) 5.701 9.914 ( -3.581 5.087 7.522) 9.761 9.991 ( -6.922 9.995 0.773) 12.183 10.175 ( 4.647 2.631 -1.828) 5.645 10.530 ( -0.957 -6.412 4.064) 7.652 10.609 ( 7.345 8.692 -0.044) 11.381 10.813 ( -0.249 4.064 4.473) 6.049 10.969 ( -0.072 -3.443 9.788) 10.376 11.085 ( -2.891 -4.096 7.347) 8.894 11.164 ( 0.567 0.653 -4.138) 4.228 11.399 ( -1.097 -3.010 7.926) 8.549 11.463 ( 0.588 -3.496 4.803) 5.970 11.883 ( -1.184 -7.366 10.181) 12.622 12.185 ( 1.677 4.900 5.377) 7.466 12.378 ( 1.252 3.692 -2.092) 4.424 12.548 ( 2.121 12.768 -7.795) 15.109 12.751 ( -5.301 -5.196 -3.493) 8.204 13.023 ( -4.471 3.429 -2.240) 6.064 13.075 ( 2.838 -1.931 -2.602) 4.308 13.240 ( 4.112 1.045 -8.144) 9.183 13.723 ( 4.332 -4.999 -3.310) 7.396 13.841 ( -0.930 -7.774 6.175) 9.972 13.877 ( -3.937 10.798 -11.965) 16.590 14.162 ( -2.396 -0.342 -1.965) 3.118 14.259 ( 3.812 -3.537 -0.031) 5.200 14.403 ( -1.550 -1.154 5.662) 5.983 14.545 ( -3.239 -3.480 2.861) 5.548 14.656 ( 4.170 0.300 -0.782) 4.253 14.990 ( -3.119 1.075 -6.796) 7.555 15.362 ( 2.146 11.777 -11.933) 16.902 15.597 ( 0.165 -0.574 -19.660) 19.669 15.886 ( 0.335 8.739 -11.569) 14.502 16.739 ( -1.642 -7.705 2.399) 8.235 16.872 ( -1.053 -6.612 -3.951) 7.774 17.055 ( 2.540 -11.804 6.147) 13.549 17.297 ( 0.695 -0.965 -3.640) 3.830 17.467 ( -0.946 4.721 -5.903) 7.617 17.649 ( -0.106 -3.046 -4.822) 5.704 17.895 ( -0.008 5.949 -2.678) 6.524 ======================= Grid point 46 (32/50) ======================= q-point: ( 0.36 -0.14 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( 7.275 16.596 9.831) 20.615 1.813 ( -14.202 -12.637 8.855) 20.971 2.159 ( -0.067 -0.896 12.983) 13.014 2.214 ( 1.478 2.462 23.898) 24.069 2.254 ( -0.617 1.438 13.703) 13.792 2.357 ( 6.395 -4.322 10.880) 13.340 2.440 ( 0.036 -3.070 6.011) 6.750 2.515 ( -1.145 1.294 0.154) 1.735 2.598 ( 4.507 -1.924 11.369) 12.380 2.642 ( 5.002 4.022 3.655) 7.386 2.697 ( 4.305 -7.189 17.687) 19.571 2.740 ( -4.855 -10.430 1.258) 11.573 2.892 ( -4.894 -0.736 0.300) 4.958 2.931 ( 1.858 6.129 0.308) 6.412 2.983 ( -4.018 0.819 7.124) 8.220 3.031 ( 0.245 3.583 9.845) 10.479 3.086 ( -4.607 1.535 2.832) 5.622 3.172 ( -4.211 2.125 7.350) 8.733 3.175 ( -3.342 11.071 2.431) 11.818 3.284 ( 0.264 5.586 -4.276) 7.040 3.311 ( -5.142 1.571 -1.621) 5.616 3.324 ( 3.952 -1.951 0.947) 4.507 3.444 ( 1.568 -0.376 -6.021) 6.233 3.621 ( -3.935 3.308 -2.019) 5.523 3.699 ( 0.754 0.043 -2.392) 2.508 3.803 ( -4.643 6.678 -1.206) 8.223 3.891 ( -3.363 -4.619 -2.260) 6.144 3.913 ( 2.144 0.434 -1.531) 2.670 3.989 ( 1.920 4.387 1.224) 4.943 4.109 ( -2.138 -7.246 -1.413) 7.686 4.140 ( 1.887 -3.239 -1.208) 3.938 4.250 ( 0.386 -3.212 2.956) 4.383 4.397 ( 8.645 -1.721 0.515) 8.830 4.461 ( 3.773 -8.677 -1.481) 9.578 4.586 ( 3.542 -0.445 1.741) 3.972 4.620 ( 1.896 -2.001 -1.451) 3.115 4.694 ( -0.731 0.930 -2.595) 2.852 4.828 ( 2.014 0.469 -0.716) 2.189 4.928 ( -0.366 -1.631 -1.467) 2.224 4.952 ( 5.207 -3.247 0.852) 6.195 5.113 ( -1.253 -1.527 0.841) 2.146 5.165 ( 0.511 2.447 -1.590) 2.962 5.186 ( -0.033 0.704 -2.889) 2.974 5.283 ( -0.973 -0.150 1.557) 1.842 5.365 ( -1.630 0.364 -3.381) 3.771 5.524 ( 5.348 -3.825 -1.290) 6.701 5.698 ( -1.136 1.553 0.317) 1.950 5.762 ( -0.186 -1.963 3.814) 4.294 5.766 ( 0.283 0.659 2.347) 2.454 5.826 ( -1.209 0.147 -0.212) 1.236 6.010 ( -2.778 2.843 -3.257) 5.139 6.515 ( -3.830 3.216 -1.335) 5.177 6.630 ( 1.274 1.116 -3.464) 3.856 6.659 ( 1.119 -2.563 -3.716) 4.651 6.679 ( -4.768 -1.477 -2.422) 5.548 6.740 ( 4.406 4.727 -1.133) 6.561 6.890 ( -0.479 -2.292 -3.514) 4.223 6.933 ( -1.316 -1.857 1.048) 2.506 7.049 ( 2.036 1.190 0.917) 2.530 7.248 ( -1.398 5.002 0.532) 5.221 7.317 ( -2.280 -1.475 -0.571) 2.775 7.440 ( -1.976 1.512 -4.680) 5.300 7.878 ( 9.435 2.872 -2.335) 10.135 7.915 ( 0.510 -6.474 4.939) 8.159 8.047 ( -2.653 -2.096 -2.541) 4.230 8.198 ( 3.593 -6.087 -6.193) 9.398 8.275 ( 4.655 -0.336 -0.752) 4.728 8.370 ( 1.089 -6.249 -4.664) 7.874 8.641 ( 5.354 -3.704 -0.106) 6.511 8.862 ( -6.205 5.456 3.878) 9.127 9.052 ( -1.776 1.289 1.237) 2.519 9.133 ( -0.632 0.860 4.826) 4.942 9.187 ( 1.225 1.286 -0.660) 1.895 9.315 ( 0.172 -3.092 0.691) 3.173 9.482 ( 1.992 -2.170 3.592) 4.645 9.879 ( -1.110 1.902 3.525) 4.157 9.919 ( -1.384 3.927 9.585) 10.451 10.118 ( -0.068 10.041 3.792) 10.733 10.284 ( -3.653 -1.334 -2.670) 4.717 10.419 ( -0.807 -2.531 2.552) 3.684 10.707 ( -9.751 -1.938 3.268) 10.465 10.862 ( -3.442 5.229 -1.434) 6.422 10.938 ( 1.328 2.831 4.878) 5.794 11.028 ( 6.196 0.222 3.939) 7.345 11.126 ( 0.416 -3.172 -0.383) 3.222 11.349 ( 3.298 -0.900 11.153) 11.666 11.428 ( 0.573 -3.499 5.324) 6.397 11.813 ( 2.295 -1.281 9.050) 9.424 12.247 ( -3.913 3.047 4.225) 6.515 12.483 ( -6.114 1.462 0.315) 6.294 12.576 ( 4.964 -3.843 -2.143) 6.633 12.843 ( 5.865 5.090 -2.227) 8.079 12.943 ( -5.511 -0.322 -8.635) 10.249 13.090 ( 0.777 0.161 -2.836) 2.945 13.250 ( -2.075 -0.504 -0.817) 2.286 13.629 ( 0.378 -5.402 2.468) 5.951 13.731 ( 5.443 -2.631 0.601) 6.076 14.079 ( 1.171 7.803 -11.454) 13.909 14.181 ( -2.963 3.409 -2.019) 4.947 14.193 ( -4.626 -6.492 -8.343) 11.539 14.339 ( 1.849 1.876 7.559) 8.005 14.519 ( 4.668 -2.300 4.690) 7.005 14.688 ( -0.212 -3.391 0.313) 3.412 14.992 ( 0.544 2.428 -6.014) 6.508 15.475 ( -7.218 5.625 -15.563) 18.054 15.591 ( 0.184 -0.361 -18.130) 18.134 16.029 ( -6.191 5.309 -9.758) 12.718 16.573 ( -0.334 2.447 -1.704) 3.001 16.867 ( 9.069 -5.198 -0.664) 10.474 16.907 ( 3.313 -8.408 4.535) 10.112 17.289 ( -0.751 0.166 -5.980) 6.029 17.500 ( -3.104 3.780 -5.137) 7.093 17.633 ( 3.499 -3.506 -5.205) 7.185 17.952 ( -3.164 3.189 -1.919) 4.885 ======================= Grid point 50 (33/50) ======================= q-point: ( 0.60 -0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( -0.013 3.992 4.013) 5.660 2.139 ( -1.051 -4.388 -6.015) 7.519 2.236 ( -0.257 -0.136 0.655) 0.717 2.330 ( 3.789 -0.170 -0.400) 3.814 2.345 ( -2.424 -4.238 -4.373) 6.554 2.464 ( 0.197 -7.161 -3.614) 8.024 2.530 ( 0.307 -6.524 9.238) 11.314 2.724 ( -0.355 1.300 3.423) 3.679 2.902 ( -0.833 8.996 4.608) 10.142 2.947 ( -0.528 1.569 3.101) 3.515 2.965 ( 0.024 0.567 0.201) 0.602 3.002 ( -0.183 3.172 3.044) 4.400 3.015 ( 0.755 -0.789 2.993) 3.186 3.073 ( 0.710 5.257 -0.066) 5.306 3.117 ( 1.796 3.961 0.997) 4.462 3.173 ( -0.429 -2.288 -3.198) 3.955 3.183 ( -0.247 1.663 -4.295) 4.612 3.238 ( 2.190 4.156 0.761) 4.759 3.365 ( -0.058 -2.474 -3.559) 4.335 3.456 ( -8.831 3.089 -0.895) 9.398 3.592 ( -0.656 1.478 10.537) 10.661 3.647 ( 1.553 1.098 8.112) 8.332 3.712 ( 8.161 -2.028 4.150) 9.377 3.768 ( -1.991 0.223 3.227) 3.798 3.783 ( 2.019 0.198 5.435) 5.801 3.817 ( -3.676 -0.749 7.893) 8.739 3.836 ( -1.820 -1.306 8.778) 9.059 3.881 ( 1.096 -1.090 1.408) 2.091 3.980 ( 3.755 -0.792 1.265) 4.040 4.047 ( -2.037 -4.120 1.521) 4.841 4.117 ( 0.174 5.797 4.345) 7.247 4.232 ( -0.521 -1.366 1.941) 2.430 4.319 ( -1.592 -1.611 -11.102) 11.330 4.336 ( 0.467 -0.452 -4.836) 4.879 4.492 ( 0.324 -2.391 -3.461) 4.219 4.501 ( 0.167 -4.388 0.622) 4.435 4.676 ( 0.160 -3.069 1.947) 3.637 4.885 ( 2.783 -1.206 0.060) 3.033 4.888 ( -4.151 0.234 0.935) 4.261 4.933 ( 1.047 -3.586 0.033) 3.736 5.025 ( 0.224 0.801 -8.446) 8.487 5.038 ( 1.546 2.013 -5.831) 6.359 5.068 ( -1.711 -0.479 -7.139) 7.356 5.169 ( 0.970 4.855 3.139) 5.862 5.239 ( -1.922 -0.038 -0.301) 1.946 5.300 ( 0.829 -3.119 6.852) 7.574 5.563 ( 0.307 2.494 -8.110) 8.490 5.737 ( -0.088 -0.623 -0.529) 0.822 5.968 ( 0.045 0.242 1.946) 1.962 5.985 ( -0.137 -0.564 2.885) 2.942 6.071 ( 0.239 2.185 0.221) 2.209 6.444 ( -0.399 3.014 -1.267) 3.293 6.477 ( 0.232 1.109 -2.547) 2.787 6.563 ( -0.238 -6.512 -0.079) 6.517 6.642 ( 0.852 0.218 1.805) 2.008 6.698 ( -0.734 0.538 -0.164) 0.924 6.765 ( 0.553 -3.469 0.819) 3.607 6.993 ( -0.476 3.343 -0.507) 3.415 7.005 ( 0.121 1.629 -0.884) 1.857 7.236 ( 0.071 -0.898 -2.327) 2.495 7.249 ( 0.109 -2.147 -2.344) 3.181 7.532 ( 2.477 3.390 -2.106) 4.697 7.555 ( -3.633 4.767 -1.893) 6.286 7.949 ( -2.130 2.878 -1.513) 3.887 7.999 ( 2.808 -0.505 -0.299) 2.869 8.217 ( -0.092 5.406 4.922) 7.311 8.379 ( -4.082 -5.024 5.406) 8.433 8.416 ( 9.135 -7.764 5.172) 13.057 8.585 ( -5.065 -14.952 2.783) 16.030 8.923 ( -1.195 4.570 -3.245) 5.731 9.099 ( 1.327 0.785 1.484) 2.140 9.151 ( 0.115 -2.852 -2.631) 3.882 9.230 ( 6.057 2.330 1.796) 6.733 9.269 ( -5.780 -4.218 0.527) 7.175 9.660 ( 0.242 4.622 8.511) 9.688 9.960 ( 0.132 -0.742 -11.061) 11.087 10.103 ( -0.588 13.526 -4.163) 14.164 10.191 ( -2.316 5.844 -0.534) 6.309 10.362 ( -5.460 2.293 3.017) 6.646 10.451 ( 10.877 -4.955 -2.021) 12.122 10.541 ( -0.894 -4.241 -3.053) 5.301 10.896 ( 6.991 -7.646 1.533) 10.473 10.928 ( -10.363 -6.278 -3.474) 12.604 11.068 ( -2.987 8.109 4.305) 9.655 11.336 ( 5.623 -3.082 7.356) 9.758 11.555 ( -0.484 -9.693 4.241) 10.591 11.882 ( 0.101 3.213 -2.408) 4.016 11.920 ( 0.282 -0.267 -0.444) 0.590 12.236 ( -3.805 14.721 -4.812) 15.948 12.347 ( 1.343 9.603 0.535) 9.711 12.447 ( 2.066 1.524 -5.751) 6.298 12.606 ( -2.090 -6.043 2.646) 6.920 12.775 ( 0.987 4.644 -3.225) 5.739 12.972 ( 1.364 0.410 -6.575) 6.727 13.124 ( -1.199 -6.123 -8.414) 10.475 13.680 ( -0.144 0.278 4.458) 4.469 13.694 ( -0.571 -0.669 2.675) 2.816 13.809 ( 0.647 -0.581 -6.523) 6.580 14.123 ( 0.361 -2.538 1.857) 3.165 14.291 ( -0.188 -2.646 16.324) 16.538 14.469 ( -0.168 1.244 2.450) 2.752 14.503 ( -0.148 -2.396 2.379) 3.380 14.658 ( 0.027 3.739 -7.616) 8.485 14.786 ( -0.124 1.164 -15.917) 15.960 14.884 ( 0.636 -4.655 -10.065) 11.107 14.978 ( -0.294 2.177 5.186) 5.632 15.760 ( -0.012 1.864 -7.230) 7.466 16.805 ( -0.397 3.864 2.901) 4.848 16.886 ( 1.003 -1.309 4.767) 5.045 16.986 ( -0.852 1.127 1.294) 1.916 17.175 ( 0.019 -9.790 -2.184) 10.031 17.423 ( 0.694 4.693 1.202) 4.894 17.534 ( -0.494 -6.778 3.851) 7.811 17.932 ( 0.012 5.608 -2.306) 6.064 ======================= Grid point 54 (34/50) ======================= q-point: (-0.17 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( -0.000 0.000 -22.325) 22.325 1.393 ( -0.000 0.000 -22.325) 22.325 2.213 ( -0.000 0.000 -4.820) 4.820 2.388 ( -0.000 0.000 -0.265) 0.265 2.394 ( 0.000 -0.000 2.081) 2.081 2.394 ( 0.000 -0.000 2.081) 2.081 2.588 ( -0.000 0.000 -20.073) 20.073 2.848 ( -0.000 0.000 -4.599) 4.599 2.881 ( -0.000 0.000 -3.296) 3.296 2.881 ( -0.000 0.000 -3.296) 3.296 2.915 ( -0.000 0.000 -6.509) 6.509 2.915 ( -0.000 0.000 -6.509) 6.509 3.008 ( -0.000 0.000 -2.306) 2.306 3.008 ( -0.000 0.000 -2.306) 2.306 3.089 ( 0.000 -0.000 4.441) 4.441 3.125 ( -0.000 0.000 -8.533) 8.533 3.137 ( 0.000 -0.000 1.150) 1.150 3.271 ( -0.000 0.000 -21.254) 21.254 3.326 ( -0.000 0.000 -2.570) 2.570 3.414 ( -0.000 0.000 -8.745) 8.745 3.443 ( -0.000 0.000 -1.538) 1.538 3.443 ( -0.000 0.000 -1.538) 1.538 3.587 ( -0.000 0.000 -9.545) 9.545 3.587 ( -0.000 0.000 -9.545) 9.545 3.667 ( -0.000 0.000 -8.035) 8.035 3.801 ( 0.000 -0.000 1.724) 1.724 3.846 ( 0.000 -0.000 0.620) 0.620 3.931 ( 0.000 -0.000 6.671) 6.671 3.983 ( 0.000 -0.000 4.289) 4.289 4.157 ( 0.000 -0.000 3.445) 3.445 4.157 ( 0.000 -0.000 3.445) 3.445 4.200 ( 0.000 -0.000 4.263) 4.263 4.399 ( 0.000 -0.000 0.811) 0.811 4.406 ( -0.000 0.000 -0.237) 0.237 4.406 ( -0.000 0.000 -0.237) 0.237 4.539 ( 0.000 -0.000 4.441) 4.441 4.715 ( 0.000 -0.000 2.903) 2.903 4.911 ( -0.000 0.000 -0.661) 0.661 4.960 ( 0.000 -0.000 2.187) 2.187 4.960 ( 0.000 -0.000 2.187) 2.187 5.126 ( 0.000 -0.000 5.472) 5.472 5.177 ( 0.000 -0.000 4.931) 4.931 5.177 ( 0.000 -0.000 4.931) 4.931 5.252 ( -0.000 0.000 -2.257) 2.257 5.440 ( 0.000 -0.000 7.837) 7.837 5.440 ( 0.000 -0.000 7.837) 7.837 5.634 ( 0.000 -0.000 5.672) 5.672 5.656 ( -0.000 0.000 -2.473) 2.473 5.843 ( -0.000 0.000 -6.016) 6.016 5.843 ( -0.000 0.000 -6.016) 6.016 5.941 ( -0.000 0.000 -4.542) 4.542 6.432 ( -0.000 0.000 -0.231) 0.231 6.590 ( 0.000 -0.000 4.293) 4.293 6.590 ( 0.000 -0.000 4.293) 4.293 6.781 ( 0.000 -0.000 3.404) 3.404 6.781 ( 0.000 -0.000 3.404) 3.404 6.920 ( 0.000 -0.000 7.347) 7.347 6.957 ( -0.000 0.000 -4.033) 4.033 7.140 ( 0.000 -0.000 6.155) 6.155 7.169 ( 0.000 -0.000 0.831) 0.831 7.169 ( 0.000 -0.000 0.831) 0.831 7.261 ( -0.000 0.000 -2.061) 2.061 7.622 ( -0.000 0.000 -4.092) 4.092 8.119 ( 0.000 -0.000 4.686) 4.686 8.119 ( 0.000 -0.000 4.686) 4.686 8.294 ( -0.000 0.000 -0.386) 0.386 8.379 ( -0.000 0.000 -0.735) 0.735 8.679 ( 0.000 -0.000 6.492) 6.492 8.679 ( 0.000 -0.000 6.492) 6.492 8.926 ( -0.000 0.000 -1.518) 1.518 9.000 ( 0.000 -0.000 0.002) 0.002 9.000 ( 0.000 -0.000 0.002) 0.002 9.108 ( -0.000 0.000 -13.635) 13.635 9.326 ( 0.000 -0.000 2.497) 2.497 9.353 ( 0.000 -0.000 2.612) 2.612 9.891 ( -0.000 0.000 -11.607) 11.607 9.910 ( -0.000 0.000 -13.763) 13.763 9.910 ( -0.000 0.000 -13.763) 13.763 10.303 ( -0.000 0.000 -1.208) 1.208 10.500 ( 0.000 -0.000 1.444) 1.444 10.786 ( -0.000 0.000 -1.635) 1.635 10.786 ( -0.000 0.000 -1.635) 1.635 10.801 ( 0.000 -0.000 13.893) 13.893 11.404 ( -0.000 0.000 -13.647) 13.647 11.419 ( -0.000 0.000 -2.642) 2.642 11.419 ( -0.000 0.000 -2.642) 2.642 11.605 ( -0.000 0.000 -5.735) 5.735 11.766 ( 0.000 -0.000 20.614) 20.614 12.234 ( -0.000 0.000 -6.523) 6.523 12.234 ( -0.000 0.000 -6.523) 6.523 12.366 ( -0.000 0.000 -8.844) 8.844 12.751 ( 0.000 -0.000 15.208) 15.208 12.865 ( 0.000 -0.000 0.663) 0.663 12.865 ( 0.000 -0.000 0.663) 0.663 13.119 ( 0.000 -0.000 3.060) 3.060 13.720 ( 0.000 -0.000 7.610) 7.610 13.834 ( -0.000 0.000 -0.434) 0.434 13.834 ( -0.000 0.000 -0.434) 0.434 14.343 ( 0.000 -0.000 9.197) 9.197 14.390 ( -0.000 0.000 -1.432) 1.432 14.390 ( -0.000 0.000 -1.432) 1.432 14.600 ( 0.000 -0.000 0.408) 0.408 14.741 ( -0.000 0.000 -15.426) 15.426 14.802 ( 0.000 -0.000 9.522) 9.522 14.802 ( 0.000 -0.000 9.522) 9.522 15.203 ( 0.000 -0.000 23.367) 23.367 15.616 ( 0.000 -0.000 1.101) 1.101 16.972 ( 0.000 -0.000 2.007) 2.007 16.972 ( 0.000 -0.000 2.007) 2.007 17.153 ( 0.000 -0.000 9.899) 9.899 17.159 ( 0.000 -0.000 2.910) 2.910 17.612 ( 0.000 -0.000 4.486) 4.486 17.612 ( 0.000 -0.000 4.486) 4.486 17.759 ( -0.000 0.000 -11.312) 11.312 ======================= Grid point 56 (35/50) ======================= q-point: (-0.17 -0.17 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( 0.000 0.000 -14.264) 14.264 2.044 ( 0.000 0.000 -9.064) 9.064 2.287 ( 0.000 -0.000 0.021) 0.021 2.353 ( 0.000 0.000 -0.118) 0.118 2.402 ( 0.000 0.000 -3.483) 3.483 2.583 ( -0.000 -0.000 -8.785) 8.785 2.600 ( 0.000 0.000 -10.599) 10.599 2.656 ( -0.000 0.000 1.438) 1.438 2.749 ( 0.000 0.000 -9.390) 9.390 2.832 ( -0.000 0.000 -5.385) 5.385 2.912 ( -0.000 0.000 -2.367) 2.367 2.915 ( 0.000 0.000 -9.022) 9.022 2.936 ( -0.000 -0.000 4.856) 4.856 2.978 ( 0.000 -0.000 -5.759) 5.759 3.027 ( 0.000 -0.000 3.718) 3.718 3.039 ( -0.000 0.000 -2.041) 2.041 3.187 ( -0.000 0.000 -6.936) 6.936 3.191 ( 0.000 -0.000 -20.796) 20.796 3.245 ( 0.000 0.000 -1.410) 1.410 3.341 ( -0.000 0.000 0.225) 0.225 3.377 ( 0.000 0.000 -0.693) 0.693 3.392 ( 0.000 -0.000 -8.640) 8.640 3.471 ( 0.000 0.000 -16.305) 16.305 3.530 ( -0.000 0.000 2.162) 2.162 3.572 ( 0.000 -0.000 -9.194) 9.194 3.686 ( 0.000 0.000 -1.376) 1.376 3.843 ( 0.000 0.000 5.478) 5.478 3.884 ( 0.000 -0.000 3.042) 3.042 3.968 ( 0.000 0.000 -3.111) 3.111 4.127 ( 0.000 0.000 5.400) 5.400 4.258 ( 0.000 0.000 -4.937) 4.937 4.339 ( 0.000 0.000 -1.337) 1.337 4.444 ( 0.000 0.000 1.386) 1.386 4.523 ( 0.000 0.000 3.402) 3.402 4.556 ( -0.000 0.000 4.534) 4.534 4.586 ( 0.000 -0.000 2.984) 2.984 4.698 ( 0.000 0.000 0.238) 0.238 4.865 ( 0.000 0.000 1.488) 1.488 4.957 ( 0.000 0.000 3.484) 3.484 5.004 ( 0.000 0.000 -6.014) 6.014 5.105 ( 0.000 0.000 3.729) 3.729 5.124 ( 0.000 0.000 4.845) 4.845 5.158 ( 0.000 0.000 -0.523) 0.523 5.204 ( 0.000 0.000 6.886) 6.886 5.242 ( -0.000 0.000 5.862) 5.862 5.546 ( 0.000 0.000 13.082) 13.082 5.585 ( -0.000 0.000 6.421) 6.421 5.774 ( -0.000 0.000 -1.061) 1.061 5.838 ( -0.000 0.000 -7.864) 7.864 5.888 ( 0.000 -0.000 -2.631) 2.631 5.914 ( 0.000 0.000 -5.355) 5.355 6.412 ( 0.000 0.000 0.500) 0.500 6.578 ( 0.000 0.000 3.280) 3.280 6.620 ( 0.000 0.000 -0.668) 0.668 6.695 ( 0.000 0.000 3.916) 3.916 6.715 ( 0.000 0.000 0.246) 0.246 6.857 ( 0.000 -0.000 1.322) 1.322 6.902 ( 0.000 0.000 3.226) 3.226 6.996 ( 0.000 -0.000 2.610) 2.610 7.227 ( 0.000 0.000 -5.006) 5.006 7.313 ( 0.000 0.000 3.691) 3.691 7.337 ( 0.000 0.000 -0.869) 0.869 7.870 ( 0.000 0.000 9.722) 9.722 7.928 ( 0.000 0.000 5.790) 5.790 8.044 ( 0.000 0.000 7.631) 7.631 8.083 ( -0.000 -0.000 -5.633) 5.633 8.436 ( 0.000 0.000 -3.412) 3.412 8.579 ( -0.000 0.000 -5.687) 5.687 8.652 ( 0.000 0.000 -5.265) 5.265 8.895 ( 0.000 0.000 -8.397) 8.397 8.975 ( 0.000 0.000 5.587) 5.587 9.127 ( -0.000 0.000 7.134) 7.134 9.374 ( 0.000 0.000 -6.313) 6.313 9.419 ( -0.000 0.000 -0.930) 0.930 9.487 ( 0.000 0.000 -7.965) 7.965 9.841 ( 0.000 -0.000 0.546) 0.546 10.049 ( -0.000 -0.000 5.885) 5.885 10.067 ( 0.000 0.000 -5.507) 5.507 10.217 ( 0.000 0.000 -5.215) 5.215 10.565 ( 0.000 0.000 -7.837) 7.837 10.569 ( -0.000 -0.000 0.623) 0.623 10.640 ( 0.000 -0.000 6.236) 6.236 10.948 ( 0.000 0.000 -1.583) 1.583 11.055 ( 0.000 0.000 0.369) 0.369 11.301 ( 0.000 0.000 -10.619) 10.619 11.653 ( 0.000 0.000 -12.046) 12.046 11.810 ( -0.000 -0.000 -16.109) 16.109 12.020 ( 0.000 0.000 -0.941) 0.941 12.266 ( 0.000 -0.000 1.945) 1.945 12.297 ( -0.000 -0.000 23.296) 23.296 12.324 ( 0.000 0.000 7.105) 7.105 12.663 ( 0.000 0.000 6.728) 6.728 12.938 ( 0.000 0.000 10.193) 10.193 12.977 ( 0.000 0.000 2.102) 2.102 13.043 ( -0.000 -0.000 -3.647) 3.647 13.740 ( 0.000 0.000 8.902) 8.902 13.786 ( 0.000 0.000 -1.750) 1.750 13.832 ( 0.000 0.000 1.123) 1.123 14.114 ( 0.000 0.000 -3.380) 3.380 14.268 ( 0.000 0.000 -6.329) 6.329 14.394 ( 0.000 0.000 -1.380) 1.380 14.613 ( 0.000 0.000 7.362) 7.362 14.706 ( -0.000 0.000 -0.015) 0.015 14.845 ( 0.000 0.000 5.972) 5.972 15.127 ( 0.000 0.000 4.213) 4.213 15.169 ( -0.000 -0.000 22.957) 22.957 15.790 ( 0.000 0.000 5.465) 5.465 16.596 ( 0.000 0.000 -6.709) 6.709 16.960 ( 0.000 0.000 5.093) 5.093 17.130 ( -0.000 0.000 6.994) 6.994 17.267 ( 0.000 0.000 -3.719) 3.719 17.374 ( -0.000 -0.000 -9.802) 9.802 17.669 ( 0.000 0.000 5.898) 5.898 17.765 ( 0.000 0.000 2.542) 2.542 ======================= Grid point 63 (36/50) ======================= q-point: ( 0.31 -0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( -4.171 22.858 9.034) 24.930 1.307 ( 0.123 14.436 36.205) 38.977 1.864 ( 5.649 34.219 3.813) 34.891 1.947 ( 1.881 -3.845 18.526) 19.014 2.095 ( 0.947 3.659 2.687) 4.637 2.182 ( -3.177 -8.254 3.259) 9.426 2.201 ( -3.639 -7.594 11.785) 14.484 2.396 ( -1.889 -6.111 0.111) 6.397 2.503 ( 1.075 -11.687 3.769) 12.327 2.529 ( 2.008 -3.267 6.183) 7.276 2.608 ( 2.612 -4.380 -0.814) 5.164 2.760 ( -0.743 -0.158 2.383) 2.501 2.802 ( 1.026 -1.172 5.344) 5.567 2.819 ( -0.452 4.956 4.353) 6.611 2.854 ( 0.189 -0.455 1.543) 1.619 2.986 ( -0.328 4.336 0.499) 4.377 3.084 ( -2.777 3.843 -0.155) 4.744 3.156 ( 1.892 -3.834 3.840) 5.747 3.207 ( 0.070 -1.073 -0.117) 1.081 3.234 ( -1.942 -0.555 2.211) 2.995 3.334 ( 2.775 0.247 -2.704) 3.883 3.517 ( 1.151 0.329 -1.899) 2.245 3.565 ( 0.419 -0.202 -4.103) 4.130 3.618 ( -6.067 -0.630 -2.467) 6.579 3.709 ( -1.020 7.380 0.853) 7.499 3.840 ( -5.786 -2.294 -1.719) 6.457 3.892 ( 0.465 1.971 -1.118) 2.313 3.971 ( -0.807 0.593 -1.473) 1.781 3.976 ( 4.697 -5.585 -1.997) 7.566 4.121 ( 0.817 -1.384 2.551) 3.015 4.218 ( 4.696 -1.506 -1.225) 5.081 4.231 ( 7.718 -2.823 -1.387) 8.334 4.335 ( -0.535 -0.808 1.685) 1.943 4.366 ( -4.586 -2.769 3.246) 6.264 4.583 ( -2.618 3.019 0.594) 4.040 4.646 ( 0.212 -0.747 2.893) 2.995 4.812 ( 1.251 -3.512 -2.483) 4.479 4.885 ( 1.649 3.444 0.048) 3.819 4.931 ( -2.895 -2.957 -0.425) 4.160 5.006 ( -4.646 -8.746 -2.285) 10.163 5.133 ( 3.905 -3.321 -2.235) 5.592 5.174 ( -2.617 -3.472 0.997) 4.461 5.241 ( 1.380 -0.759 -1.314) 2.051 5.290 ( 0.806 0.253 -3.852) 3.943 5.429 ( 1.003 0.179 3.768) 3.903 5.503 ( -1.752 -3.803 4.488) 6.138 5.655 ( -0.729 0.534 -0.942) 1.305 5.708 ( -2.582 0.509 -0.239) 2.642 5.763 ( 0.924 5.113 0.168) 5.198 5.803 ( 4.977 -1.100 0.599) 5.133 6.051 ( -0.829 1.137 -1.586) 2.120 6.558 ( 3.346 2.971 1.805) 4.824 6.583 ( -0.173 1.936 1.605) 2.521 6.687 ( -5.182 -2.539 -3.006) 6.507 6.732 ( 1.854 -1.492 -0.078) 2.381 6.831 ( -4.950 1.483 -1.836) 5.484 6.914 ( 2.721 -2.796 1.097) 4.053 6.948 ( 2.378 -1.380 0.777) 2.857 7.084 ( -0.682 -3.951 0.716) 4.073 7.221 ( -2.443 1.217 -1.482) 3.106 7.396 ( 4.544 -0.587 -3.067) 5.514 7.488 ( -2.431 2.328 -6.595) 7.405 7.648 ( 2.099 6.523 2.811) 7.406 7.965 ( -1.205 -6.665 2.292) 7.150 8.161 ( -5.804 -5.138 -4.899) 9.170 8.365 ( 0.217 -2.499 -2.973) 3.890 8.490 ( 1.634 -9.635 -1.052) 9.829 8.546 ( 5.003 -3.384 -9.519) 11.274 8.702 ( 3.722 4.541 -4.441) 7.362 8.807 ( -2.594 -0.142 2.881) 3.879 8.972 ( -0.246 0.661 3.185) 3.262 9.048 ( -5.585 2.773 2.473) 6.708 9.074 ( 3.382 0.136 1.934) 3.899 9.294 ( 1.929 -0.360 1.572) 2.514 9.337 ( -1.140 1.096 10.753) 10.869 9.672 ( 4.359 5.202 8.692) 11.028 9.859 ( -0.409 -1.995 0.982) 2.261 10.054 ( -11.203 7.318 -6.767) 14.994 10.213 ( 1.226 3.724 -0.855) 4.013 10.450 ( -1.534 -0.340 3.386) 3.732 10.551 ( 7.604 4.983 5.000) 10.376 10.693 ( -1.501 2.271 7.106) 7.610 10.788 ( 1.004 1.126 6.650) 6.819 10.949 ( -0.554 -1.627 5.242) 5.517 11.195 ( -1.461 1.084 -0.101) 1.822 11.362 ( 2.235 -1.468 -1.235) 2.945 11.422 ( -1.466 -8.521 -1.081) 8.713 11.684 ( -0.764 -5.796 8.673) 10.459 12.058 ( 0.997 7.443 6.578) 9.984 12.350 ( 0.376 5.839 2.908) 6.535 12.668 ( 6.141 3.751 -3.978) 8.222 12.791 ( -8.221 -5.280 -0.411) 9.779 13.080 ( 0.351 2.200 -4.431) 4.960 13.128 ( -0.379 0.805 -3.656) 3.763 13.379 ( 2.181 -5.796 -4.841) 7.861 13.702 ( -2.749 -5.432 6.394) 8.829 13.796 ( 3.694 -5.077 -3.565) 7.220 14.032 ( -0.212 4.411 2.453) 5.052 14.152 ( 0.003 -4.680 9.200) 10.322 14.242 ( -3.973 2.858 -4.058) 6.357 14.285 ( 2.951 -0.942 1.925) 3.647 14.466 ( 1.113 -0.371 4.139) 4.302 14.724 ( 0.272 0.402 -4.279) 4.307 15.104 ( -6.149 0.102 -4.504) 7.623 15.502 ( 6.227 12.701 -3.419) 14.553 15.887 ( -1.132 -2.774 -8.502) 9.015 16.177 ( -0.098 8.168 -14.437) 16.587 16.769 ( -0.161 -1.820 -5.768) 6.050 16.897 ( -0.263 -5.183 1.239) 5.335 17.003 ( 0.001 -7.248 -2.962) 7.829 17.417 ( 2.219 0.206 -5.929) 6.334 17.575 ( -2.290 3.143 -4.633) 6.049 17.738 ( 0.373 -2.866 -3.684) 4.682 17.952 ( -0.029 4.688 -2.880) 5.502 ======================= Grid point 64 (37/50) ======================= q-point: ( 0.31 -0.19 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 3.533 16.415 10.197) 19.645 1.606 ( -1.437 11.034 23.487) 25.990 1.668 ( -16.233 -11.143 8.658) 21.509 1.709 ( -6.281 1.087 19.522) 20.537 2.191 ( 5.041 -2.749 1.054) 5.837 2.260 ( 11.065 -9.233 3.370) 14.800 2.276 ( 11.719 -3.540 8.928) 15.152 2.334 ( 5.934 -13.849 12.549) 19.609 2.439 ( -0.881 -0.552 2.375) 2.593 2.591 ( -0.515 -0.002 -1.591) 1.672 2.634 ( 6.561 9.274 -0.071) 11.360 2.726 ( -11.671 -9.695 0.406) 15.178 2.831 ( -3.109 1.084 5.795) 6.665 2.869 ( -1.460 3.773 5.438) 6.778 2.905 ( -7.610 -2.292 0.018) 7.948 2.935 ( 2.718 8.632 0.113) 9.050 3.041 ( -3.063 3.048 4.782) 6.445 3.057 ( -2.225 1.853 0.718) 2.983 3.178 ( -5.726 11.110 -0.863) 12.528 3.290 ( 3.218 -3.233 1.031) 4.677 3.317 ( -1.972 1.506 -0.432) 2.519 3.401 ( -3.720 6.390 -3.931) 8.374 3.537 ( -1.487 -0.200 -3.129) 3.470 3.661 ( 3.325 6.383 -1.605) 7.374 3.749 ( -2.241 -2.840 -2.393) 4.337 3.813 ( -4.591 4.804 0.325) 6.653 3.896 ( -2.943 0.649 0.605) 3.074 3.949 ( 1.265 0.268 -1.240) 1.792 3.997 ( 1.188 -2.185 -2.295) 3.384 4.133 ( 1.941 -2.210 1.948) 3.528 4.159 ( -1.847 -3.242 -2.930) 4.744 4.189 ( -0.163 -2.117 2.950) 3.634 4.355 ( 4.990 -3.571 2.688) 6.699 4.505 ( 6.064 -10.232 -2.362) 12.126 4.556 ( 4.876 -2.278 0.830) 5.445 4.648 ( 6.497 -3.338 -1.364) 7.431 4.698 ( -3.255 2.438 3.015) 5.063 4.833 ( 3.427 0.331 -0.146) 3.446 4.936 ( 1.283 -1.019 0.049) 1.639 4.957 ( 3.915 -4.786 0.151) 6.185 5.105 ( 1.235 -4.365 -1.642) 4.824 5.152 ( 1.007 5.267 1.136) 5.481 5.258 ( -2.923 -3.036 -1.952) 4.644 5.271 ( 0.659 -0.128 -1.742) 1.867 5.397 ( -0.987 1.238 0.020) 1.583 5.465 ( 1.607 0.176 4.504) 4.785 5.644 ( 0.974 0.968 3.453) 3.716 5.730 ( -1.256 1.639 0.223) 2.077 5.781 ( 3.106 -6.563 -1.924) 7.512 5.825 ( -3.525 2.347 0.157) 4.238 6.056 ( -1.267 1.886 -0.183) 2.279 6.535 ( -4.805 2.423 -0.582) 5.412 6.681 ( 0.367 1.393 -1.777) 2.288 6.707 ( -3.006 2.480 -0.533) 3.933 6.724 ( 1.242 -0.143 -2.798) 3.065 6.774 ( 0.976 3.506 -1.774) 4.048 6.870 ( -2.685 0.176 2.592) 3.736 6.981 ( -0.266 -3.761 -3.047) 4.848 7.003 ( 3.369 -0.755 2.890) 4.503 7.251 ( -0.807 5.159 -0.635) 5.260 7.341 ( -2.885 -1.911 -1.568) 3.799 7.547 ( 2.598 -1.778 -5.554) 6.384 7.830 ( 0.367 -8.152 3.633) 8.932 7.890 ( 9.190 -1.869 0.791) 9.411 8.060 ( 5.420 -1.606 0.430) 5.669 8.270 ( 3.273 -5.186 -4.216) 7.441 8.374 ( -0.759 2.197 -4.389) 4.967 8.564 ( -3.778 -3.555 -13.883) 14.820 8.681 ( 4.399 -1.436 -4.746) 6.629 8.803 ( -4.647 3.842 1.672) 6.257 9.005 ( -1.684 3.819 3.230) 5.278 9.026 ( -4.012 3.799 5.122) 7.535 9.163 ( 0.651 -0.809 3.204) 3.368 9.255 ( 0.418 -1.498 7.292) 7.455 9.357 ( -0.035 0.356 8.177) 8.185 9.768 ( -5.081 0.779 4.618) 6.910 9.817 ( 4.444 -4.410 3.200) 7.031 10.086 ( -0.576 11.238 -0.847) 11.284 10.337 ( 5.108 -3.819 -4.204) 7.639 10.418 ( -0.816 0.787 -0.644) 1.304 10.580 ( -4.288 -3.821 7.594) 9.521 10.757 ( 3.226 -2.885 12.537) 13.263 10.820 ( -4.369 4.650 3.766) 7.409 10.953 ( 0.568 -0.823 2.553) 2.742 11.174 ( 2.175 1.548 -2.497) 3.655 11.252 ( 0.254 -1.610 -0.034) 1.630 11.368 ( -2.396 1.293 0.828) 2.846 11.643 ( 1.094 -0.139 6.990) 7.077 12.154 ( -6.076 5.612 4.325) 9.334 12.437 ( -7.524 5.502 4.019) 10.151 12.588 ( 3.467 -3.554 0.171) 4.968 12.862 ( 8.825 -5.758 -0.693) 10.560 13.101 ( 0.375 -0.647 -6.246) 6.290 13.139 ( 2.717 -1.924 -2.333) 4.065 13.294 ( -3.932 1.504 -3.730) 5.624 13.605 ( 4.714 -0.624 0.048) 4.755 13.722 ( 1.805 -6.334 0.008) 6.586 14.093 ( -0.808 2.077 11.007) 11.230 14.104 ( -1.485 0.973 7.415) 7.625 14.246 ( -0.764 0.852 -2.861) 3.081 14.320 ( 1.614 -0.979 3.066) 3.601 14.473 ( 1.995 -3.347 -2.530) 4.645 14.742 ( -0.160 -0.442 -4.866) 4.889 15.076 ( -2.592 6.852 -2.878) 7.871 15.700 ( -8.808 0.184 -6.934) 11.212 15.804 ( 3.252 2.214 -4.599) 6.052 16.279 ( -5.995 6.023 -13.057) 15.579 16.725 ( -0.383 1.002 -10.964) 11.016 16.844 ( 0.697 -0.577 0.091) 0.909 16.940 ( 6.968 -7.262 -4.342) 10.961 17.412 ( -0.786 -0.714 -5.613) 5.713 17.598 ( -1.900 3.667 -4.109) 5.826 17.723 ( 3.156 -3.656 -3.635) 6.045 17.996 ( -2.524 2.572 -2.306) 4.278 ======================= Grid point 68 (38/50) ======================= q-point: ( 0.54 -0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( -2.194 12.509 11.795) 17.332 2.122 ( 4.809 -6.993 5.448) 10.085 2.185 ( -1.895 -0.480 4.318) 4.740 2.296 ( -0.921 -7.635 5.231) 9.300 2.456 ( 0.637 -0.374 -2.375) 2.487 2.473 ( -2.541 0.368 -4.208) 4.929 2.513 ( 2.675 -1.615 -0.429) 3.154 2.649 ( 0.326 -4.440 9.680) 10.654 2.693 ( -0.665 -0.043 6.911) 6.943 2.876 ( 0.714 0.204 13.674) 13.694 2.886 ( -0.254 1.598 10.174) 10.302 2.911 ( -0.081 7.892 3.052) 8.462 2.972 ( -0.209 1.147 -0.520) 1.276 3.048 ( 0.306 4.666 13.343) 14.139 3.078 ( 0.194 3.308 8.753) 9.359 3.151 ( 2.488 1.563 -3.283) 4.406 3.241 ( -2.053 2.807 -0.265) 3.488 3.270 ( 0.575 -1.908 -2.934) 3.547 3.284 ( -0.945 1.370 6.650) 6.855 3.351 ( 0.010 1.286 7.722) 7.829 3.395 ( 0.505 -0.188 13.678) 13.688 3.419 ( -0.211 -0.500 16.049) 16.058 3.526 ( -10.054 2.832 2.474) 10.734 3.576 ( 4.969 0.664 -1.169) 5.148 3.682 ( 1.265 -5.346 0.020) 5.494 3.790 ( -0.548 1.967 -0.874) 2.221 3.836 ( 1.508 2.825 -1.918) 3.733 3.895 ( 1.629 -1.005 -1.292) 2.309 3.997 ( -1.890 2.757 2.035) 3.914 4.034 ( 1.315 -4.064 -3.620) 5.599 4.112 ( 5.578 0.297 -1.677) 5.832 4.208 ( -3.246 -3.795 1.092) 5.112 4.327 ( -2.593 -2.528 2.017) 4.145 4.429 ( 1.312 -7.575 0.208) 7.690 4.564 ( -0.052 2.399 -3.878) 4.560 4.598 ( -1.536 -0.348 -6.492) 6.680 4.633 ( 1.203 -4.299 1.845) 4.831 4.857 ( -2.840 -2.227 1.551) 3.928 4.861 ( 2.335 -2.339 0.190) 3.311 4.977 ( 0.157 -1.760 2.103) 2.747 5.073 ( -0.000 1.327 -2.575) 2.897 5.135 ( 2.062 2.838 -0.718) 3.580 5.166 ( -2.296 0.584 -2.075) 3.149 5.230 ( -0.461 2.161 -7.201) 7.533 5.292 ( 0.613 -2.165 -7.159) 7.504 5.363 ( 0.020 -4.033 -7.204) 8.256 5.684 ( 0.278 2.980 -3.847) 4.874 5.750 ( -0.121 -1.730 -1.954) 2.612 5.879 ( 0.102 0.365 6.436) 6.447 5.885 ( -0.126 -0.295 6.305) 6.314 6.040 ( 0.326 3.917 1.869) 4.352 6.498 ( -0.635 1.524 -3.972) 4.301 6.562 ( -0.079 3.739 -5.442) 6.603 6.587 ( -0.681 -5.496 -2.296) 5.996 6.609 ( 2.715 -0.966 1.037) 3.063 6.729 ( -3.335 0.648 -2.784) 4.392 6.790 ( 2.371 -3.838 -2.575) 5.195 6.981 ( 0.270 2.079 1.334) 2.485 7.039 ( -0.849 -0.087 -1.614) 1.826 7.275 ( -0.960 0.938 -1.159) 1.774 7.297 ( 0.910 -1.017 -2.281) 2.658 7.451 ( 0.653 9.548 2.497) 9.891 7.730 ( -4.427 0.923 -7.902) 9.105 7.973 ( 1.047 -0.015 1.406) 1.753 8.024 ( 2.496 -1.535 -2.248) 3.693 8.113 ( 3.448 5.471 2.685) 7.002 8.270 ( -3.987 -11.234 5.132) 12.978 8.314 ( 1.832 -9.779 2.858) 10.352 8.568 ( -1.193 -11.774 -0.205) 11.836 8.963 ( 0.200 -0.408 0.607) 0.759 9.080 ( 1.981 6.360 -1.515) 6.832 9.174 ( -2.016 4.326 0.775) 4.835 9.230 ( -6.222 1.427 3.646) 7.351 9.254 ( 7.149 -1.598 -3.299) 8.034 9.501 ( -0.388 -4.270 4.641) 6.319 10.012 ( -0.628 6.968 4.226) 8.173 10.117 ( -0.094 0.526 7.090) 7.110 10.202 ( -1.419 11.486 -1.759) 11.706 10.327 ( -5.918 6.241 3.878) 9.435 10.469 ( 7.553 -4.744 1.159) 8.994 10.638 ( 2.021 2.647 -10.772) 11.275 10.911 ( 7.369 -3.417 -1.722) 8.303 10.961 ( -9.568 4.199 0.415) 10.457 11.032 ( -3.128 -6.071 0.849) 6.882 11.185 ( 3.246 -3.315 6.953) 8.359 11.467 ( 0.591 -8.213 4.342) 9.309 11.634 ( -0.746 0.027 17.634) 17.650 11.920 ( 0.198 -3.398 2.884) 4.462 12.318 ( 1.455 6.234 -1.566) 6.590 12.394 ( -1.408 9.259 -3.859) 10.129 12.557 ( 1.864 -6.107 -1.480) 6.555 12.723 ( -4.940 8.661 -8.530) 13.122 12.879 ( 3.178 6.375 -9.457) 11.840 13.064 ( 0.920 0.571 -1.581) 1.917 13.228 ( -0.999 -1.553 -2.018) 2.735 13.623 ( 0.542 -1.345 1.544) 2.119 13.690 ( -1.459 -5.006 -1.930) 5.560 13.894 ( 1.311 3.269 -3.437) 4.921 14.105 ( -0.051 -6.870 1.008) 6.944 14.145 ( -0.240 1.756 -3.952) 4.331 14.444 ( -1.588 0.131 0.355) 1.633 14.490 ( 1.023 -3.967 -0.238) 4.104 14.784 ( 1.463 2.968 7.232) 7.954 14.847 ( -1.324 0.900 -7.062) 7.241 15.164 ( 0.327 0.752 -19.403) 19.420 15.175 ( -0.137 -0.133 -19.902) 19.903 15.918 ( 0.236 7.692 -8.087) 11.163 16.735 ( 2.288 -1.856 3.143) 4.308 16.750 ( -3.473 -2.752 8.125) 9.255 16.962 ( 1.118 -5.956 2.975) 6.751 17.206 ( -0.147 -5.040 -2.186) 5.496 17.448 ( 0.555 3.618 -3.483) 5.053 17.513 ( -0.536 -3.211 -2.195) 3.926 17.959 ( -0.002 4.319 -0.914) 4.415 ======================= Grid point 72 (39/50) ======================= q-point: (-0.22 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( -0.000 0.000 -19.001) 19.001 1.803 ( -0.000 0.000 -19.001) 19.001 2.301 ( -0.000 0.000 -4.290) 4.290 2.339 ( 0.000 -0.000 3.376) 3.376 2.339 ( 0.000 -0.000 3.376) 3.376 2.365 ( 0.000 -0.000 2.322) 2.322 2.710 ( 0.000 -0.000 8.945) 8.945 2.876 ( 0.000 -0.000 3.020) 3.020 2.936 ( -0.000 0.000 -2.020) 2.020 2.936 ( -0.000 0.000 -2.020) 2.020 2.974 ( -0.000 0.000 -1.860) 1.860 2.974 ( -0.000 0.000 -1.860) 1.860 3.019 ( -0.000 0.000 -5.414) 5.414 3.086 ( -0.000 0.000 -3.638) 3.638 3.086 ( -0.000 0.000 -3.638) 3.638 3.160 ( 0.000 -0.000 4.621) 4.621 3.162 ( -0.000 0.000 -1.766) 1.766 3.250 ( 0.000 -0.000 0.541) 0.541 3.462 ( -0.000 0.000 -1.250) 1.250 3.462 ( -0.000 0.000 -1.250) 1.250 3.614 ( -0.000 0.000 -8.411) 8.411 3.713 ( -0.000 0.000 -4.341) 4.341 3.762 ( 0.000 -0.000 3.166) 3.166 3.778 ( -0.000 0.000 -7.657) 7.657 3.778 ( -0.000 0.000 -7.657) 7.657 3.790 ( 0.000 -0.000 6.504) 6.504 3.878 ( 0.000 -0.000 5.659) 5.659 3.887 ( -0.000 0.000 -16.995) 16.995 4.031 ( -0.000 0.000 -13.267) 13.267 4.081 ( 0.000 -0.000 0.323) 0.323 4.082 ( 0.000 -0.000 4.561) 4.561 4.082 ( 0.000 -0.000 4.561) 4.561 4.373 ( 0.000 -0.000 4.911) 4.911 4.373 ( 0.000 -0.000 4.911) 4.911 4.405 ( -0.000 0.000 -1.634) 1.634 4.457 ( 0.000 -0.000 3.277) 3.277 4.680 ( 0.000 -0.000 1.054) 1.054 4.876 ( 0.000 -0.000 2.331) 2.331 4.929 ( 0.000 -0.000 0.705) 0.705 4.929 ( 0.000 -0.000 0.705) 0.705 4.973 ( 0.000 -0.000 6.360) 6.360 5.050 ( 0.000 -0.000 6.145) 6.145 5.050 ( 0.000 -0.000 6.145) 6.145 5.305 ( 0.000 -0.000 4.957) 4.957 5.305 ( 0.000 -0.000 4.957) 4.957 5.377 ( -0.000 0.000 -7.113) 7.113 5.485 ( 0.000 -0.000 7.534) 7.534 5.707 ( -0.000 0.000 -2.346) 2.346 5.947 ( -0.000 0.000 -3.836) 3.836 5.947 ( -0.000 0.000 -3.836) 3.836 6.050 ( -0.000 0.000 -4.833) 4.833 6.444 ( -0.000 0.000 -1.252) 1.252 6.520 ( 0.000 -0.000 2.783) 2.783 6.520 ( 0.000 -0.000 2.783) 2.783 6.723 ( 0.000 -0.000 2.202) 2.202 6.723 ( 0.000 -0.000 2.202) 2.202 6.772 ( 0.000 -0.000 7.103) 7.103 7.015 ( -0.000 0.000 -1.761) 1.761 7.045 ( 0.000 -0.000 3.081) 3.081 7.175 ( -0.000 0.000 -1.529) 1.529 7.175 ( -0.000 0.000 -1.529) 1.529 7.355 ( -0.000 0.000 -7.423) 7.423 7.681 ( -0.000 0.000 -1.040) 1.040 8.038 ( 0.000 -0.000 3.197) 3.197 8.038 ( 0.000 -0.000 3.197) 3.197 8.319 ( -0.000 0.000 -2.037) 2.037 8.375 ( 0.000 -0.000 1.699) 1.699 8.513 ( 0.000 -0.000 9.360) 9.360 8.513 ( 0.000 -0.000 9.360) 9.360 8.953 ( -0.000 0.000 -1.233) 1.233 9.041 ( -0.000 0.000 -3.416) 3.416 9.041 ( -0.000 0.000 -3.416) 3.416 9.278 ( 0.000 -0.000 1.876) 1.876 9.280 ( 0.000 -0.000 3.836) 3.836 9.456 ( -0.000 0.000 -21.026) 21.026 10.138 ( -0.000 0.000 -11.672) 11.672 10.185 ( 0.000 -0.000 18.506) 18.506 10.186 ( -0.000 0.000 -13.079) 13.079 10.186 ( -0.000 0.000 -13.079) 13.079 10.438 ( 0.000 -0.000 4.518) 4.518 10.475 ( 0.000 -0.000 9.389) 9.389 10.795 ( 0.000 -0.000 0.055) 0.055 10.795 ( 0.000 -0.000 0.055) 0.055 11.414 ( 0.000 -0.000 3.559) 3.559 11.414 ( 0.000 -0.000 3.559) 3.559 11.466 ( 0.000 -0.000 9.397) 9.397 11.714 ( -0.000 0.000 -17.743) 17.743 11.758 ( -0.000 0.000 -7.812) 7.812 12.365 ( -0.000 0.000 -6.813) 6.813 12.365 ( -0.000 0.000 -6.813) 6.813 12.505 ( 0.000 -0.000 6.208) 6.208 12.615 ( -0.000 0.000 -11.801) 11.801 12.854 ( 0.000 -0.000 22.595) 22.595 12.876 ( -0.000 0.000 -2.424) 2.424 12.876 ( -0.000 0.000 -2.424) 2.424 13.672 ( -0.000 0.000 -4.075) 4.075 13.787 ( 0.000 -0.000 4.906) 4.906 13.787 ( 0.000 -0.000 4.906) 4.906 14.180 ( 0.000 -0.000 6.559) 6.559 14.492 ( -0.000 0.000 -7.570) 7.570 14.492 ( -0.000 0.000 -7.570) 7.570 14.606 ( 0.000 -0.000 2.501) 2.501 14.642 ( 0.000 -0.000 5.235) 5.235 14.642 ( 0.000 -0.000 5.235) 5.235 14.753 ( 0.000 -0.000 18.527) 18.527 14.992 ( -0.000 0.000 -8.025) 8.025 15.646 ( -0.000 0.000 -3.544) 3.544 16.937 ( 0.000 -0.000 1.830) 1.830 16.937 ( 0.000 -0.000 1.830) 1.830 17.030 ( 0.000 -0.000 2.168) 2.168 17.088 ( 0.000 -0.000 4.286) 4.286 17.528 ( 0.000 -0.000 4.042) 4.042 17.528 ( 0.000 -0.000 4.042) 4.042 17.921 ( -0.000 0.000 -5.407) 5.407 ======================= Grid point 74 (40/50) ======================= q-point: (-0.22 -0.22 -0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( 0.000 0.000 -10.805) 10.805 2.201 ( -0.000 0.000 -6.079) 6.079 2.279 ( 0.000 -0.000 1.140) 1.140 2.286 ( -0.000 0.000 5.512) 5.512 2.518 ( 0.000 0.000 -7.857) 7.857 2.609 ( -0.000 0.000 2.073) 2.073 2.684 ( 0.000 0.000 -2.435) 2.435 2.696 ( 0.000 0.000 7.930) 7.930 2.817 ( -0.000 -0.000 -6.719) 6.719 2.863 ( 0.000 -0.000 -0.146) 0.146 2.923 ( 0.000 0.000 -1.652) 1.652 2.957 ( 0.000 0.000 1.356) 1.356 3.001 ( 0.000 0.000 -2.468) 2.468 3.037 ( 0.000 0.000 -3.424) 3.424 3.062 ( 0.000 0.000 -1.568) 1.568 3.085 ( 0.000 0.000 -3.164) 3.164 3.167 ( 0.000 -0.000 4.114) 4.114 3.179 ( -0.000 0.000 3.506) 3.506 3.212 ( 0.000 -0.000 4.221) 4.221 3.418 ( 0.000 0.000 1.033) 1.033 3.516 ( -0.000 0.000 -7.451) 7.451 3.589 ( -0.000 0.000 -2.845) 2.845 3.645 ( 0.000 -0.000 3.163) 3.163 3.659 ( -0.000 0.000 -14.312) 14.312 3.809 ( 0.000 0.000 -6.223) 6.223 3.832 ( -0.000 -0.000 3.096) 3.096 3.877 ( 0.000 0.000 -6.347) 6.347 3.886 ( 0.000 0.000 -20.622) 20.622 3.985 ( 0.000 0.000 6.706) 6.706 4.071 ( 0.000 0.000 -13.866) 13.866 4.262 ( 0.000 0.000 11.731) 11.731 4.353 ( 0.000 0.000 -2.040) 2.040 4.369 ( 0.000 0.000 7.230) 7.230 4.438 ( 0.000 0.000 3.724) 3.724 4.503 ( 0.000 0.000 -0.486) 0.486 4.545 ( 0.000 -0.000 1.164) 1.164 4.685 ( 0.000 0.000 1.450) 1.450 4.851 ( 0.000 0.000 -1.071) 1.071 4.907 ( -0.000 0.000 3.112) 3.112 4.997 ( 0.000 0.000 7.171) 7.171 5.039 ( -0.000 -0.000 0.882) 0.882 5.047 ( 0.000 0.000 1.532) 1.532 5.117 ( 0.000 0.000 6.644) 6.644 5.164 ( 0.000 -0.000 -5.284) 5.284 5.193 ( 0.000 0.000 -3.202) 3.202 5.308 ( -0.000 0.000 9.330) 9.330 5.459 ( 0.000 0.000 5.281) 5.281 5.771 ( 0.000 0.000 0.301) 0.301 5.959 ( 0.000 0.000 -3.983) 3.983 5.974 ( 0.000 0.000 -3.347) 3.347 5.985 ( 0.000 0.000 -1.412) 1.412 6.402 ( 0.000 0.000 0.465) 0.465 6.527 ( 0.000 0.000 1.496) 1.496 6.630 ( 0.000 0.000 1.867) 1.867 6.647 ( 0.000 0.000 -2.164) 2.164 6.695 ( 0.000 0.000 2.135) 2.135 6.859 ( 0.000 -0.000 -2.107) 2.107 6.869 ( -0.000 0.000 0.663) 0.663 6.926 ( 0.000 -0.000 4.055) 4.055 7.262 ( 0.000 0.000 1.344) 1.344 7.342 ( 0.000 0.000 0.116) 0.116 7.375 ( 0.000 -0.000 -10.023) 10.023 7.610 ( 0.000 0.000 13.501) 13.501 7.901 ( 0.000 0.000 -0.530) 0.530 7.939 ( 0.000 0.000 3.415) 3.415 8.190 ( 0.000 0.000 -3.833) 3.833 8.465 ( 0.000 0.000 -0.083) 0.083 8.701 ( -0.000 -0.000 -6.700) 6.700 8.780 ( 0.000 -0.000 -7.640) 7.640 8.840 ( 0.000 0.000 7.360) 7.360 8.937 ( -0.000 0.000 7.552) 7.552 9.124 ( 0.000 -0.000 -7.988) 7.988 9.451 ( -0.000 0.000 -2.148) 2.148 9.484 ( 0.000 0.000 -5.176) 5.176 9.559 ( 0.000 0.000 1.348) 1.348 9.873 ( 0.000 0.000 -3.745) 3.745 9.954 ( 0.000 0.000 4.191) 4.191 9.979 ( 0.000 -0.000 10.524) 10.524 10.262 ( 0.000 0.000 -0.922) 0.922 10.557 ( 0.000 -0.000 0.465) 0.465 10.671 ( 0.000 0.000 -5.960) 5.960 10.777 ( 0.000 0.000 -11.756) 11.756 10.936 ( 0.000 0.000 3.687) 3.687 11.066 ( 0.000 0.000 -0.883) 0.883 11.530 ( 0.000 -0.000 -14.584) 14.584 11.750 ( 0.000 0.000 14.263) 14.263 11.868 ( 0.000 0.000 -8.263) 8.263 11.909 ( 0.000 0.000 19.779) 19.779 12.160 ( -0.000 0.000 3.137) 3.137 12.182 ( -0.000 -0.000 2.102) 2.102 12.195 ( 0.000 0.000 -11.579) 11.579 12.458 ( 0.000 -0.000 12.181) 12.181 12.874 ( 0.000 0.000 -1.247) 1.247 12.924 ( 0.000 0.000 3.189) 3.189 13.172 ( 0.000 -0.000 -6.530) 6.530 13.693 ( 0.000 0.000 -2.670) 2.670 13.742 ( 0.000 0.000 5.194) 5.194 13.770 ( -0.000 0.000 3.399) 3.399 14.247 ( 0.000 0.000 -7.887) 7.887 14.413 ( 0.000 -0.000 -1.180) 1.180 14.429 ( 0.000 0.000 -8.376) 8.376 14.472 ( -0.000 -0.000 5.338) 5.338 14.656 ( 0.000 0.000 4.541) 4.541 14.765 ( 0.000 0.000 15.527) 15.527 14.856 ( 0.000 0.000 -5.620) 5.620 15.003 ( 0.000 0.000 7.925) 7.925 15.720 ( 0.000 0.000 1.679) 1.679 16.758 ( 0.000 0.000 -9.239) 9.239 16.871 ( 0.000 0.000 2.725) 2.725 16.948 ( -0.000 0.000 9.914) 9.914 17.401 ( 0.000 0.000 -7.808) 7.808 17.546 ( 0.000 0.000 6.788) 6.788 17.562 ( -0.000 -0.000 -7.878) 7.878 17.701 ( 0.000 -0.000 4.130) 4.130 ======================= Grid point 81 (41/50) ======================= q-point: ( 0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( 0.040 23.610 -0.000) 23.610 0.993 ( -4.640 25.782 -0.000) 26.196 1.741 ( 0.984 -7.186 0.000) 7.253 1.833 ( 6.965 37.869 -0.000) 38.504 2.054 ( -2.639 -7.358 0.000) 7.817 2.071 ( 0.867 3.081 -0.000) 3.200 2.172 ( -4.293 -9.738 0.000) 10.642 2.403 ( -2.317 -7.407 0.000) 7.761 2.430 ( 2.855 -8.232 0.000) 8.713 2.492 ( 0.950 -9.693 0.000) 9.740 2.625 ( 2.162 -2.917 0.000) 3.631 2.694 ( -0.383 -0.988 0.000) 1.059 2.769 ( -0.914 6.969 -0.000) 7.029 2.781 ( 0.561 1.034 -0.000) 1.176 2.848 ( 1.081 -1.146 0.000) 1.575 2.982 ( -0.034 4.616 -0.000) 4.616 3.090 ( -3.196 3.554 -0.000) 4.779 3.116 ( 0.673 -4.126 0.000) 4.180 3.199 ( -0.749 1.188 -0.000) 1.404 3.219 ( 0.303 -1.300 0.000) 1.335 3.361 ( 3.013 -0.321 0.000) 3.030 3.537 ( 0.762 -0.344 0.000) 0.835 3.596 ( -0.119 0.958 -0.000) 0.965 3.659 ( -6.781 -4.085 -0.000) 7.917 3.695 ( 0.039 9.132 -0.000) 9.132 3.869 ( -5.638 -1.042 -0.000) 5.734 3.899 ( -0.359 0.979 -0.000) 1.043 3.984 ( 1.943 -0.161 0.000) 1.950 4.014 ( 2.728 -4.668 0.000) 5.407 4.066 ( 0.668 -0.189 0.000) 0.694 4.226 ( 0.493 -2.367 0.000) 2.417 4.258 ( 16.338 -2.674 0.000) 16.555 4.295 ( 0.173 -0.464 0.000) 0.495 4.342 ( -9.299 -3.451 -0.000) 9.918 4.569 ( -1.651 5.456 -0.000) 5.701 4.617 ( -1.200 -4.231 0.000) 4.398 4.840 ( 1.181 -4.092 0.000) 4.259 4.885 ( 1.754 5.170 -0.000) 5.460 4.937 ( -1.851 -3.990 0.000) 4.399 5.031 ( -6.128 -11.469 0.000) 13.004 5.156 ( -2.841 -3.649 0.000) 4.625 5.172 ( 4.984 -2.428 0.000) 5.544 5.255 ( 2.451 -1.617 0.000) 2.936 5.365 ( 0.993 1.159 -0.000) 1.526 5.384 ( -1.716 1.448 -0.000) 2.245 5.419 ( 0.338 -5.618 0.000) 5.629 5.678 ( -6.261 -2.900 -0.000) 6.900 5.706 ( 1.094 3.004 -0.000) 3.197 5.765 ( 0.843 5.992 -0.000) 6.051 5.795 ( 6.782 -2.061 0.000) 7.088 6.046 ( -1.125 0.308 -0.000) 1.166 6.492 ( 2.221 3.889 -0.000) 4.478 6.589 ( -0.317 7.180 -0.000) 7.187 6.710 ( -4.270 -0.703 -0.000) 4.328 6.734 ( 0.008 -2.788 0.000) 2.788 6.855 ( -4.062 1.519 -0.000) 4.337 6.902 ( 3.274 -0.823 0.000) 3.376 6.937 ( 0.845 -1.988 0.000) 2.160 7.081 ( 1.179 -3.832 0.000) 4.009 7.238 ( -2.309 0.551 -0.000) 2.373 7.429 ( 4.125 -1.364 0.000) 4.345 7.570 ( -3.255 -0.649 -0.000) 3.319 7.617 ( 1.976 6.932 -0.000) 7.208 7.929 ( 0.379 -7.288 0.000) 7.297 8.220 ( -3.742 -7.956 0.000) 8.793 8.376 ( -1.047 4.111 -0.000) 4.242 8.505 ( 0.837 -12.834 0.000) 12.862 8.720 ( 1.690 -2.380 0.000) 2.918 8.775 ( 0.423 -0.888 0.000) 0.984 8.775 ( 4.101 8.851 -0.000) 9.755 8.945 ( -1.639 5.651 -0.000) 5.884 9.030 ( 1.531 -6.178 0.000) 6.365 9.065 ( -0.326 -0.729 0.000) 0.798 9.119 ( -1.229 0.143 -0.000) 1.237 9.263 ( 1.048 1.157 -0.000) 1.561 9.575 ( 5.480 6.934 -0.000) 8.838 9.848 ( -1.742 -2.800 0.000) 3.297 10.146 ( -17.645 3.939 -0.000) 18.079 10.229 ( -1.090 7.604 -0.000) 7.681 10.385 ( 10.572 3.140 0.000) 11.029 10.495 ( -0.713 -0.055 -0.000) 0.715 10.611 ( 0.013 -1.766 0.000) 1.766 10.724 ( 0.531 3.996 -0.000) 4.031 10.897 ( 0.817 -0.632 0.000) 1.032 11.207 ( 1.354 0.768 0.000) 1.557 11.374 ( -1.298 2.632 -0.000) 2.935 11.445 ( 0.723 -15.126 0.000) 15.143 11.595 ( -0.136 -2.834 0.000) 2.837 11.977 ( 0.102 10.050 -0.000) 10.051 12.312 ( -0.663 5.628 -0.000) 5.667 12.708 ( 8.469 1.130 0.000) 8.545 12.790 ( -8.956 -5.861 -0.000) 10.704 13.140 ( 0.046 0.967 -0.000) 0.968 13.210 ( -0.012 -1.106 0.000) 1.106 13.405 ( 1.947 -2.387 0.000) 3.081 13.625 ( -3.754 -4.249 0.000) 5.670 13.840 ( 3.659 -5.775 0.000) 6.836 13.915 ( 1.382 1.551 -0.000) 2.077 14.061 ( -2.191 -5.132 0.000) 5.580 14.271 ( -0.291 -0.522 0.000) 0.597 14.276 ( 0.285 -0.504 0.000) 0.580 14.430 ( 1.761 3.976 -0.000) 4.348 14.773 ( -0.059 2.281 -0.000) 2.281 15.151 ( -7.014 -0.571 -0.000) 7.037 15.533 ( 6.443 12.469 -0.000) 14.035 15.957 ( -0.048 -2.693 0.000) 2.693 16.334 ( -0.663 8.092 -0.000) 8.120 16.836 ( 0.875 1.654 -0.000) 1.871 16.915 ( -1.104 -5.532 0.000) 5.641 17.051 ( 0.106 -5.583 0.000) 5.584 17.483 ( 2.402 0.208 0.000) 2.411 17.626 ( -2.777 1.964 -0.000) 3.401 17.777 ( 0.554 -2.828 0.000) 2.881 17.986 ( -0.077 4.022 -0.000) 4.023 ======================= Grid point 82 (42/50) ======================= q-point: ( 0.25 -0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( -8.974 9.285 -0.000) 12.913 1.441 ( -5.632 4.763 -0.000) 7.376 1.515 ( 8.265 22.217 -0.000) 23.705 1.629 ( -18.344 -14.842 -0.000) 23.597 2.158 ( 16.060 -1.997 0.000) 16.184 2.183 ( 6.452 -2.450 0.000) 6.902 2.201 ( 3.471 -17.498 0.000) 17.839 2.248 ( 12.270 -11.754 0.000) 16.992 2.421 ( -0.486 -0.713 0.000) 0.863 2.607 ( 0.646 0.877 -0.000) 1.089 2.640 ( 5.856 9.770 -0.000) 11.390 2.724 ( -14.115 -9.959 -0.000) 17.275 2.765 ( -3.548 2.374 -0.000) 4.269 2.812 ( -3.172 5.139 -0.000) 6.039 2.908 ( -8.174 -3.441 -0.000) 8.868 2.937 ( 4.045 9.687 -0.000) 10.498 2.991 ( -3.321 2.899 -0.000) 4.409 3.051 ( -1.570 2.043 -0.000) 2.576 3.189 ( -5.373 10.340 -0.000) 11.652 3.277 ( 4.646 -4.379 0.000) 6.385 3.322 ( -3.920 2.497 -0.000) 4.648 3.441 ( -3.424 6.511 -0.000) 7.356 3.568 ( -2.838 -0.507 -0.000) 2.883 3.678 ( 4.756 7.036 -0.000) 8.492 3.779 ( -1.281 -4.556 0.000) 4.733 3.799 ( -5.580 5.220 -0.000) 7.641 3.887 ( -2.523 3.547 -0.000) 4.353 3.970 ( 0.465 -0.633 0.000) 0.786 4.039 ( 1.055 -4.152 0.000) 4.284 4.084 ( 0.782 -2.245 0.000) 2.377 4.158 ( 0.466 -0.449 0.000) 0.647 4.196 ( -1.608 -2.206 0.000) 2.730 4.321 ( 4.885 -4.914 0.000) 6.929 4.535 ( 6.960 -10.896 0.000) 12.929 4.550 ( 4.326 -3.057 0.000) 5.297 4.639 ( -2.782 4.713 -0.000) 5.473 4.667 ( 7.678 -5.566 0.000) 9.483 4.840 ( 3.988 -0.181 0.000) 3.992 4.931 ( -0.990 -2.701 0.000) 2.877 4.953 ( 6.542 -3.800 0.000) 7.566 5.138 ( 1.387 -4.791 0.000) 4.987 5.139 ( 0.378 5.986 -0.000) 5.997 5.265 ( -2.352 -6.446 0.000) 6.861 5.313 ( 2.031 2.099 -0.000) 2.921 5.382 ( -1.823 2.013 -0.000) 2.716 5.418 ( 0.628 -0.229 0.000) 0.668 5.608 ( 0.951 2.462 -0.000) 2.640 5.728 ( -2.362 1.528 -0.000) 2.813 5.801 ( 4.377 -8.223 0.000) 9.315 5.824 ( -3.968 3.360 -0.000) 5.199 6.044 ( -1.359 2.164 -0.000) 2.555 6.539 ( -5.366 2.363 -0.000) 5.863 6.696 ( 1.179 1.881 -0.000) 2.220 6.714 ( -3.130 3.408 -0.000) 4.628 6.758 ( 2.503 2.662 -0.000) 3.654 6.791 ( -1.355 2.281 -0.000) 2.653 6.838 ( -3.489 -0.617 -0.000) 3.543 6.970 ( 4.020 -1.655 0.000) 4.347 7.013 ( -1.041 -2.863 0.000) 3.046 7.260 ( -0.533 5.061 -0.000) 5.089 7.360 ( -2.601 -2.387 -0.000) 3.530 7.616 ( 7.122 -5.266 0.000) 8.858 7.784 ( 0.378 -5.720 0.000) 5.732 7.877 ( 8.136 -4.993 0.000) 9.546 8.051 ( 5.875 -3.569 0.000) 6.874 8.357 ( 5.821 -5.721 0.000) 8.162 8.384 ( -6.314 6.992 -0.000) 9.421 8.734 ( 0.904 -0.255 0.000) 0.939 8.818 ( -2.764 -4.459 0.000) 5.246 8.861 ( 2.036 2.339 -0.000) 3.101 8.892 ( -10.361 5.669 -0.000) 11.810 8.961 ( -2.259 3.893 -0.000) 4.501 9.079 ( 2.969 0.016 0.000) 2.969 9.117 ( -1.576 1.065 -0.000) 1.902 9.275 ( -2.269 1.412 -0.000) 2.672 9.728 ( -4.912 -1.693 -0.000) 5.195 9.776 ( 7.047 -7.721 0.000) 10.453 10.116 ( 0.059 16.052 -0.000) 16.052 10.385 ( 2.305 0.340 0.000) 2.330 10.460 ( 3.025 -2.798 0.000) 4.120 10.529 ( 1.794 -3.628 0.000) 4.047 10.530 ( 3.066 -10.403 0.000) 10.845 10.776 ( -4.816 5.915 -0.000) 7.627 10.928 ( -0.819 -1.513 0.000) 1.721 11.230 ( -2.728 2.654 -0.000) 3.806 11.238 ( 3.077 -3.046 0.000) 4.330 11.367 ( -2.885 3.292 -0.000) 4.378 11.572 ( 0.758 -0.402 0.000) 0.858 12.107 ( -7.585 7.625 -0.000) 10.756 12.381 ( -6.419 6.877 -0.000) 9.407 12.585 ( 2.233 -3.646 0.000) 4.276 12.869 ( 10.061 -9.152 0.000) 13.601 13.173 ( 0.472 -0.993 0.000) 1.100 13.176 ( 1.094 -0.607 0.000) 1.251 13.337 ( -4.106 3.556 -0.000) 5.432 13.605 ( 6.524 0.855 0.000) 6.580 13.723 ( 1.170 -9.236 0.000) 9.309 13.947 ( -2.281 -1.174 -0.000) 2.565 14.015 ( 3.382 1.519 0.000) 3.708 14.264 ( 0.109 0.095 0.000) 0.144 14.271 ( 0.202 -0.399 0.000) 0.447 14.504 ( 0.775 -2.648 0.000) 2.759 14.803 ( -1.109 1.059 -0.000) 1.534 15.105 ( -4.124 8.551 -0.000) 9.494 15.764 ( -7.157 -1.997 -0.000) 7.431 15.843 ( 3.411 2.049 0.000) 3.979 16.421 ( -5.303 6.063 -0.000) 8.055 16.831 ( -0.579 0.150 -0.000) 0.598 16.875 ( -0.277 0.826 -0.000) 0.871 16.998 ( 5.206 -5.311 0.000) 7.438 17.474 ( -0.496 -1.266 0.000) 1.359 17.642 ( -1.334 3.602 -0.000) 3.841 17.762 ( 3.033 -3.748 0.000) 4.821 18.023 ( -2.267 2.352 -0.000) 3.266 ======================= Grid point 86 (43/50) ======================= q-point: ( 0.49 -0.26 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( -3.036 17.248 10.382) 20.359 2.001 ( 12.038 -5.962 6.213) 14.801 2.085 ( -9.706 -6.769 5.217) 12.933 2.160 ( 1.265 -0.872 16.711) 16.782 2.275 ( -1.994 -0.220 15.780) 15.906 2.386 ( -0.997 0.822 18.677) 18.721 2.414 ( 3.340 -1.702 16.130) 16.560 2.508 ( -1.498 -0.616 9.977) 10.108 2.558 ( -1.783 5.328 -1.827) 5.908 2.580 ( 0.178 0.847 7.268) 7.319 2.645 ( 0.471 -6.580 16.937) 18.176 2.698 ( 2.649 -6.249 -0.115) 6.789 2.884 ( 0.697 8.786 0.830) 8.852 2.970 ( -1.041 0.052 3.070) 3.242 2.997 ( 0.556 4.664 5.987) 7.609 3.082 ( -0.185 -0.534 5.489) 5.518 3.110 ( 0.629 3.389 3.521) 4.927 3.205 ( 1.433 -2.379 7.489) 7.987 3.231 ( -1.272 7.440 -0.351) 7.557 3.271 ( -0.723 0.613 1.077) 1.435 3.359 ( 2.048 4.622 -4.119) 6.521 3.423 ( -3.010 -0.457 -6.780) 7.432 3.505 ( -1.945 1.271 0.238) 2.336 3.603 ( -1.162 1.125 -1.212) 2.021 3.734 ( -3.421 -4.904 -3.582) 6.970 3.822 ( 3.044 1.604 -2.440) 4.218 3.865 ( 1.510 5.006 -0.669) 5.271 3.918 ( -0.052 -2.943 -1.616) 3.358 3.976 ( 0.437 4.227 0.625) 4.295 4.091 ( 0.346 -4.284 -1.586) 4.582 4.148 ( 9.227 0.183 -2.167) 9.480 4.190 ( -2.696 -3.255 0.634) 4.274 4.294 ( -6.278 -4.444 1.224) 7.788 4.400 ( 1.785 -6.839 2.747) 7.583 4.563 ( -0.794 -4.240 2.621) 5.047 4.615 ( 0.281 -3.268 -0.174) 3.285 4.717 ( -0.198 1.347 -4.951) 5.134 4.838 ( -2.584 -3.284 0.240) 4.185 4.870 ( 2.014 -4.320 0.028) 4.766 4.936 ( -0.032 0.699 -0.511) 0.867 5.122 ( 1.519 3.317 2.485) 4.414 5.167 ( -1.740 2.315 -2.873) 4.080 5.197 ( -0.299 0.749 -2.878) 2.989 5.277 ( 0.589 -0.766 2.066) 2.281 5.425 ( 4.621 -2.806 -3.689) 6.545 5.436 ( -4.783 -4.712 -2.745) 7.253 5.708 ( -0.384 2.717 1.839) 3.303 5.742 ( 0.716 -0.089 5.154) 5.204 5.779 ( 0.081 -2.018 3.132) 3.726 5.831 ( 0.172 0.680 -2.920) 3.003 6.039 ( 0.005 3.260 -2.094) 3.874 6.570 ( -0.825 -0.658 -1.919) 2.190 6.609 ( 0.217 0.769 -2.559) 2.681 6.652 ( 1.495 -2.243 -3.341) 4.293 6.662 ( 0.903 6.001 -4.009) 7.273 6.794 ( -6.072 -0.067 -3.139) 6.836 6.852 ( 4.709 -2.659 -3.831) 6.628 6.946 ( 0.511 0.680 2.164) 2.325 7.043 ( -1.099 -2.683 1.432) 3.234 7.276 ( -1.656 4.111 0.454) 4.455 7.336 ( 1.728 -0.700 -1.859) 2.633 7.452 ( 0.333 4.274 -2.008) 4.734 7.800 ( -3.028 4.470 1.566) 5.621 7.930 ( -2.883 -2.536 3.170) 4.979 7.998 ( 6.603 -3.837 -0.717) 7.671 8.191 ( 2.668 -10.159 0.125) 10.504 8.238 ( -6.700 -1.734 -8.975) 11.333 8.346 ( 4.346 -5.469 -5.882) 9.132 8.584 ( -1.400 -8.786 -1.647) 9.048 8.915 ( 0.362 1.122 3.331) 3.533 9.095 ( 2.677 4.411 2.147) 5.588 9.144 ( -4.923 3.531 4.114) 7.323 9.168 ( 1.033 7.176 -0.589) 7.274 9.300 ( 1.909 -1.589 -0.561) 2.546 9.443 ( -0.351 -6.674 2.919) 7.293 9.903 ( -0.363 5.497 6.267) 8.344 9.953 ( -0.421 1.873 8.835) 9.041 10.169 ( -6.895 8.417 2.664) 11.202 10.266 ( 4.976 1.867 2.392) 5.828 10.432 ( 0.956 -2.375 0.921) 2.721 10.764 ( 8.422 7.084 1.494) 11.107 10.885 ( -8.046 -1.401 8.448) 11.750 10.922 ( 2.027 4.051 0.915) 4.621 11.006 ( -3.244 -3.569 2.855) 5.605 11.117 ( 1.474 -7.102 -1.887) 7.495 11.342 ( -1.387 0.107 9.880) 9.977 11.403 ( 1.835 -4.733 2.674) 5.737 11.801 ( -0.460 -1.381 8.241) 8.369 12.301 ( 0.291 7.516 3.091) 8.132 12.442 ( 1.629 2.985 -1.591) 3.754 12.596 ( -0.424 -7.242 -2.403) 7.642 12.796 ( -2.413 8.835 0.493) 9.172 13.027 ( -0.176 -0.137 -4.590) 4.596 13.065 ( 1.167 0.311 0.037) 1.208 13.244 ( -0.082 -2.067 -1.558) 2.590 13.628 ( 4.671 -4.255 -1.403) 6.472 13.671 ( -3.536 -8.311 3.698) 9.760 14.083 ( -3.362 9.205 -13.389) 16.593 14.194 ( 3.496 -3.140 -7.029) 8.455 14.213 ( 0.168 5.248 -0.402) 5.266 14.387 ( -0.576 -0.730 7.180) 7.240 14.463 ( -1.380 -4.639 2.774) 5.579 14.661 ( 1.325 -0.578 1.504) 2.086 15.008 ( -0.982 1.251 -7.584) 7.749 15.530 ( 0.607 5.998 -15.726) 16.842 15.590 ( -0.018 -0.465 -18.679) 18.685 16.086 ( 0.414 11.999 -10.618) 16.028 16.636 ( -1.989 -3.354 1.096) 4.051 16.732 ( 0.960 -9.048 -3.562) 9.771 16.872 ( 0.607 -6.636 4.199) 7.876 17.295 ( 0.185 0.359 -6.164) 6.177 17.538 ( -0.293 2.779 -5.153) 5.862 17.593 ( 0.091 -2.749 -4.962) 5.673 17.981 ( -0.010 3.296 -1.547) 3.640 ======================= Grid point 90 (44/50) ======================= q-point: (-0.28 -0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( -0.000 0.000 -6.170) 6.170 2.085 ( -0.000 0.000 -6.170) 6.170 2.299 ( 0.000 -0.000 4.462) 4.462 2.305 ( -0.000 0.000 -3.253) 3.253 2.305 ( -0.000 0.000 -3.253) 3.253 2.364 ( 0.000 -0.000 1.089) 1.089 2.473 ( 0.000 -0.000 9.298) 9.298 2.749 ( 0.000 -0.000 8.321) 8.321 2.963 ( -0.000 0.000 -0.778) 0.778 2.963 ( -0.000 0.000 -0.778) 0.778 2.976 ( 0.000 -0.000 12.199) 12.199 2.997 ( 0.000 -0.000 0.530) 0.530 2.997 ( 0.000 -0.000 0.530) 0.530 3.137 ( -0.000 0.000 -3.857) 3.857 3.140 ( -0.000 0.000 -2.633) 2.633 3.140 ( -0.000 0.000 -2.633) 2.633 3.197 ( -0.000 0.000 -1.818) 1.818 3.323 ( -0.000 0.000 -5.018) 5.018 3.499 ( -0.000 0.000 -2.130) 2.130 3.499 ( -0.000 0.000 -2.130) 2.130 3.550 ( 0.000 -0.000 15.673) 15.673 3.625 ( 0.000 -0.000 7.802) 7.802 3.680 ( 0.000 -0.000 6.609) 6.609 3.768 ( 0.000 -0.000 2.501) 2.501 3.794 ( 0.000 -0.000 11.186) 11.186 3.794 ( 0.000 -0.000 11.186) 11.186 3.797 ( -0.000 0.000 -5.174) 5.174 3.904 ( 0.000 -0.000 4.998) 4.998 3.967 ( 0.000 -0.000 3.511) 3.511 3.967 ( 0.000 -0.000 3.511) 3.511 4.240 ( 0.000 -0.000 5.535) 5.535 4.240 ( 0.000 -0.000 5.535) 5.535 4.242 ( -0.000 0.000 -11.859) 11.859 4.324 ( -0.000 0.000 -3.524) 3.524 4.444 ( -0.000 0.000 -4.479) 4.479 4.467 ( -0.000 0.000 -4.674) 4.674 4.645 ( 0.000 -0.000 2.830) 2.830 4.884 ( -0.000 0.000 -3.680) 3.680 4.891 ( 0.000 -0.000 3.220) 3.220 4.891 ( 0.000 -0.000 3.220) 3.220 5.038 ( -0.000 0.000 -13.467) 13.467 5.057 ( -0.000 0.000 -6.397) 6.397 5.057 ( -0.000 0.000 -6.397) 6.397 5.242 ( 0.000 -0.000 11.664) 11.664 5.242 ( 0.000 -0.000 1.525) 1.525 5.242 ( 0.000 -0.000 1.525) 1.525 5.588 ( -0.000 0.000 -8.512) 8.512 5.733 ( -0.000 0.000 -0.042) 0.042 5.970 ( 0.000 -0.000 1.827) 1.827 5.970 ( 0.000 -0.000 1.827) 1.827 6.098 ( -0.000 0.000 -0.126) 0.126 6.488 ( 0.000 -0.000 0.083) 0.083 6.488 ( 0.000 -0.000 0.083) 0.083 6.493 ( -0.000 0.000 -4.063) 4.063 6.658 ( 0.000 -0.000 4.427) 4.427 6.707 ( -0.000 0.000 -0.750) 0.750 6.707 ( -0.000 0.000 -0.750) 0.750 7.020 ( -0.000 0.000 -0.282) 0.282 7.027 ( 0.000 -0.000 0.404) 0.404 7.224 ( -0.000 0.000 -3.182) 3.182 7.224 ( -0.000 0.000 -3.182) 3.182 7.537 ( -0.000 0.000 -10.607) 10.607 7.652 ( 0.000 -0.000 3.651) 3.651 8.002 ( 0.000 -0.000 0.422) 0.422 8.002 ( 0.000 -0.000 0.422) 0.422 8.285 ( 0.000 -0.000 7.748) 7.748 8.331 ( 0.000 -0.000 8.875) 8.875 8.331 ( 0.000 -0.000 8.875) 8.875 8.368 ( -0.000 0.000 -2.860) 2.860 8.970 ( -0.000 0.000 -0.255) 0.255 9.119 ( -0.000 0.000 -4.325) 4.325 9.119 ( -0.000 0.000 -4.325) 4.325 9.222 ( 0.000 -0.000 1.768) 1.768 9.258 ( 0.000 -0.000 0.061) 0.061 9.690 ( 0.000 -0.000 13.898) 13.898 9.958 ( -0.000 0.000 -14.308) 14.308 10.265 ( 0.000 -0.000 2.454) 2.454 10.366 ( -0.000 0.000 -3.986) 3.986 10.366 ( -0.000 0.000 -3.986) 3.986 10.374 ( -0.000 0.000 -1.573) 1.573 10.422 ( -0.000 0.000 -2.611) 2.611 10.815 ( -0.000 0.000 -2.677) 2.677 10.815 ( -0.000 0.000 -2.677) 2.677 11.295 ( 0.000 -0.000 7.694) 7.694 11.295 ( 0.000 -0.000 7.694) 7.694 11.355 ( 0.000 -0.000 2.763) 2.763 11.877 ( -0.000 0.000 -3.711) 3.711 11.958 ( 0.000 -0.000 3.399) 3.399 12.398 ( 0.000 -0.000 2.773) 2.773 12.466 ( -0.000 0.000 -2.585) 2.585 12.466 ( -0.000 0.000 -2.585) 2.585 12.515 ( -0.000 0.000 -0.357) 0.357 12.905 ( -0.000 0.000 -14.723) 14.723 12.973 ( -0.000 0.000 -6.646) 6.646 12.973 ( -0.000 0.000 -6.646) 6.646 13.686 ( 0.000 -0.000 4.477) 4.477 13.686 ( 0.000 -0.000 4.477) 4.477 13.802 ( -0.000 0.000 -7.169) 7.169 14.100 ( 0.000 -0.000 0.827) 0.827 14.269 ( 0.000 -0.000 19.189) 19.189 14.476 ( 0.000 -0.000 3.815) 3.815 14.476 ( 0.000 -0.000 3.815) 3.815 14.736 ( -0.000 0.000 -5.500) 5.500 14.797 ( -0.000 0.000 -15.906) 15.906 14.797 ( -0.000 0.000 -15.906) 15.906 15.000 ( 0.000 -0.000 6.607) 6.607 15.777 ( -0.000 0.000 -9.821) 9.821 16.875 ( 0.000 -0.000 5.230) 5.230 16.875 ( 0.000 -0.000 5.230) 5.230 16.991 ( 0.000 -0.000 5.478) 5.478 17.057 ( -0.000 0.000 -4.171) 4.171 17.467 ( 0.000 -0.000 1.549) 1.549 17.467 ( 0.000 -0.000 1.549) 1.549 17.985 ( -0.000 0.000 -1.572) 1.572 ======================= Grid point 106 (45/50) ======================= q-point: ( 0.43 -0.32 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( -3.471 20.367 5.687) 21.429 1.599 ( 0.176 16.660 27.393) 32.062 1.859 ( 2.196 -3.930 16.260) 16.872 1.945 ( 16.708 -4.651 9.137) 19.603 2.006 ( -15.152 -9.662 2.871) 18.198 2.103 ( -2.219 -4.046 14.022) 14.762 2.181 ( 0.076 -11.432 1.666) 11.553 2.282 ( 1.210 -14.540 11.761) 18.740 2.448 ( 0.421 -1.798 2.750) 3.312 2.564 ( -2.258 14.022 0.156) 14.203 2.601 ( -0.135 4.334 -1.768) 4.683 2.718 ( 3.433 -4.922 -0.882) 6.066 2.843 ( 0.380 5.364 5.251) 7.516 2.883 ( 0.320 8.543 0.595) 8.570 2.903 ( -0.636 2.867 3.636) 4.674 3.051 ( 1.950 0.354 0.763) 2.124 3.076 ( -0.885 -4.453 2.482) 5.174 3.086 ( -0.057 -0.165 1.726) 1.735 3.241 ( -0.704 2.670 1.084) 2.966 3.251 ( -1.376 7.956 -0.400) 8.084 3.426 ( 2.266 5.269 -2.119) 6.114 3.500 ( -1.431 -2.437 -0.353) 2.848 3.544 ( 0.082 0.071 -4.127) 4.128 3.634 ( -4.639 2.492 -1.813) 5.569 3.795 ( -5.056 -2.399 -2.742) 6.232 3.861 ( 0.111 6.727 0.660) 6.760 3.882 ( 6.485 -1.607 -3.228) 7.420 3.958 ( -0.668 -0.539 -0.230) 0.888 3.965 ( 1.186 1.468 -1.127) 2.198 4.088 ( 0.798 -2.444 1.755) 3.113 4.178 ( 0.227 -3.038 0.655) 3.117 4.194 ( 9.170 -1.072 -2.185) 9.488 4.278 ( -9.181 -4.675 0.602) 10.320 4.327 ( 1.594 -2.818 3.705) 4.920 4.529 ( -0.363 -6.485 0.700) 6.533 4.630 ( -0.252 -10.431 -1.109) 10.493 4.740 ( 0.077 4.154 3.349) 5.336 4.846 ( -4.523 -3.531 -0.837) 5.798 4.864 ( 2.410 -3.107 0.069) 3.932 4.943 ( 1.289 -0.483 0.881) 1.634 5.083 ( 0.974 -1.349 -0.967) 1.925 5.175 ( -3.659 2.620 0.586) 4.538 5.235 ( 3.144 -0.937 0.390) 3.304 5.287 ( 0.193 0.286 -3.523) 3.540 5.427 ( 0.740 -0.462 1.695) 1.906 5.449 ( -1.530 -1.816 2.234) 3.260 5.649 ( -2.046 -0.410 1.738) 2.715 5.705 ( 2.085 -3.909 -0.130) 4.432 5.753 ( 0.471 -0.189 0.508) 0.718 5.856 ( 0.227 3.319 -0.286) 3.339 6.074 ( -0.150 1.467 -0.255) 1.496 6.586 ( 1.432 1.825 -0.327) 2.343 6.671 ( -1.867 0.784 -2.516) 3.230 6.703 ( 0.561 3.392 -1.917) 3.937 6.720 ( 0.062 3.242 -1.936) 3.777 6.836 ( -2.945 -0.764 -1.399) 3.349 6.900 ( 0.925 0.932 1.462) 1.965 6.922 ( 2.133 -0.231 -0.817) 2.296 7.005 ( -0.532 -4.935 0.688) 5.011 7.277 ( -1.892 4.786 -0.453) 5.167 7.372 ( 2.567 -1.610 -1.627) 3.439 7.502 ( -0.880 -1.435 -2.485) 3.001 7.741 ( 1.818 3.944 3.043) 5.303 7.852 ( -2.021 -5.582 3.391) 6.836 8.029 ( -0.286 -8.100 -0.235) 8.108 8.232 ( 0.287 -9.767 -4.836) 10.903 8.422 ( -1.926 3.347 -6.004) 7.139 8.529 ( 4.002 0.597 -12.717) 13.345 8.667 ( -1.328 -7.436 -8.155) 11.115 8.842 ( 0.281 2.859 3.695) 4.680 9.030 ( -0.201 3.563 3.437) 4.955 9.091 ( -1.903 3.436 1.196) 4.106 9.136 ( 1.818 5.304 5.198) 7.646 9.257 ( 0.332 -2.716 5.990) 6.586 9.345 ( -0.268 -1.677 5.942) 6.180 9.764 ( 0.135 1.137 7.590) 7.676 9.809 ( 1.242 1.914 4.896) 5.401 10.177 ( -7.154 4.727 -3.977) 9.452 10.245 ( 2.874 -1.143 -1.519) 3.446 10.436 ( 0.266 -0.554 -0.421) 0.745 10.619 ( 7.759 1.592 11.122) 13.654 10.659 ( -5.301 -2.726 12.899) 14.209 10.878 ( 0.058 5.783 2.730) 6.395 10.936 ( -0.006 -0.037 2.852) 2.852 11.189 ( -0.508 -7.815 -3.276) 8.489 11.246 ( -0.400 1.965 0.580) 2.088 11.387 ( 0.700 -1.599 -0.598) 1.845 11.643 ( -0.441 0.833 6.665) 6.731 12.232 ( -0.090 11.116 3.185) 11.564 12.454 ( 1.816 4.873 0.993) 5.295 12.640 ( -0.662 -7.210 -1.833) 7.469 12.719 ( -1.109 -1.647 4.894) 5.282 13.096 ( 0.059 0.010 -3.563) 3.564 13.112 ( -0.039 -1.701 -4.376) 4.695 13.334 ( 0.762 0.014 -6.146) 6.193 13.597 ( -4.717 -4.668 3.374) 7.445 13.654 ( 4.674 -8.737 -1.091) 9.968 14.105 ( -0.181 4.106 9.470) 10.324 14.132 ( -0.237 1.538 10.903) 11.013 14.269 ( 0.780 -0.784 -0.055) 1.107 14.285 ( -1.014 0.340 0.001) 1.070 14.447 ( 0.525 -1.236 -2.204) 2.581 14.737 ( 0.164 0.363 -6.539) 6.551 15.135 ( -1.448 3.357 -4.945) 6.150 15.705 ( 2.671 8.399 -3.496) 9.481 15.829 ( -1.508 -3.622 -5.951) 7.128 16.346 ( 0.029 9.440 -12.922) 16.003 16.746 ( -0.781 -0.678 -9.887) 9.941 16.836 ( 1.014 -2.944 -0.800) 3.215 16.856 ( -0.426 -7.056 -6.858) 9.849 17.415 ( 0.474 0.058 -5.256) 5.277 17.630 ( -0.976 2.308 -3.781) 4.536 17.682 ( 0.574 -2.862 -3.688) 4.704 18.020 ( -0.017 2.552 -2.096) 3.302 ======================= Grid point 110 (46/50) ======================= q-point: ( 0.67 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 0.000 -0.000 5.431) 5.431 2.049 ( 0.000 -0.000 5.431) 5.431 2.150 ( 0.000 -0.000 13.383) 13.383 2.195 ( 0.000 -0.000 5.757) 5.757 2.459 ( -0.000 0.000 -8.043) 8.043 2.459 ( -0.000 0.000 -8.043) 8.043 2.486 ( -0.000 0.000 -3.589) 3.589 2.585 ( 0.000 -0.000 8.331) 8.331 2.710 ( 0.000 -0.000 14.051) 14.051 2.879 ( 0.000 -0.000 12.869) 12.869 2.879 ( 0.000 -0.000 12.869) 12.869 2.980 ( -0.000 0.000 -0.175) 0.175 2.980 ( -0.000 0.000 -0.175) 0.175 3.048 ( 0.000 -0.000 24.317) 24.317 3.167 ( 0.000 -0.000 0.873) 0.873 3.194 ( 0.000 -0.000 0.279) 0.279 3.194 ( 0.000 -0.000 0.279) 0.279 3.285 ( 0.000 -0.000 1.242) 1.242 3.350 ( 0.000 -0.000 5.375) 5.375 3.405 ( 0.000 -0.000 12.040) 12.040 3.405 ( 0.000 -0.000 12.040) 12.040 3.493 ( 0.000 -0.000 5.510) 5.510 3.566 ( 0.000 -0.000 0.919) 0.919 3.583 ( -0.000 0.000 -0.590) 0.590 3.583 ( -0.000 0.000 -0.590) 0.590 3.760 ( -0.000 0.000 -0.812) 0.812 3.850 ( -0.000 0.000 -0.087) 0.087 3.917 ( -0.000 0.000 -4.992) 4.992 3.963 ( -0.000 0.000 -0.953) 0.953 3.963 ( -0.000 0.000 -0.953) 0.953 4.179 ( 0.000 -0.000 1.516) 1.516 4.179 ( 0.000 -0.000 1.516) 1.516 4.298 ( 0.000 -0.000 3.442) 3.442 4.306 ( 0.000 -0.000 0.624) 0.624 4.574 ( 0.000 -0.000 1.845) 1.845 4.590 ( -0.000 0.000 -7.599) 7.599 4.621 ( -0.000 0.000 -4.891) 4.891 4.836 ( 0.000 -0.000 2.199) 2.199 4.836 ( 0.000 -0.000 2.199) 2.199 4.957 ( 0.000 -0.000 0.866) 0.866 5.087 ( -0.000 0.000 -1.412) 1.412 5.171 ( -0.000 0.000 -2.587) 2.587 5.171 ( -0.000 0.000 -2.587) 2.587 5.275 ( -0.000 0.000 -5.769) 5.769 5.275 ( -0.000 0.000 -5.769) 5.769 5.295 ( -0.000 0.000 -6.743) 6.743 5.713 ( -0.000 0.000 -4.011) 4.011 5.735 ( -0.000 0.000 -2.255) 2.255 5.879 ( 0.000 -0.000 6.765) 6.765 5.879 ( 0.000 -0.000 6.765) 6.765 6.078 ( 0.000 -0.000 1.402) 1.402 6.525 ( -0.000 0.000 -3.589) 3.589 6.525 ( -0.000 0.000 -3.589) 3.589 6.595 ( 0.000 -0.000 2.133) 2.133 6.611 ( -0.000 0.000 -7.892) 7.892 6.744 ( -0.000 0.000 -2.543) 2.543 6.744 ( -0.000 0.000 -2.543) 2.543 7.004 ( 0.000 -0.000 1.782) 1.782 7.033 ( -0.000 0.000 -0.261) 0.261 7.285 ( -0.000 0.000 -2.681) 2.681 7.285 ( -0.000 0.000 -2.681) 2.681 7.565 ( 0.000 -0.000 4.530) 4.530 7.753 ( -0.000 0.000 -11.065) 11.065 8.000 ( 0.000 -0.000 1.715) 1.715 8.000 ( 0.000 -0.000 1.716) 1.716 8.109 ( 0.000 -0.000 8.549) 8.549 8.200 ( 0.000 -0.000 2.300) 2.300 8.200 ( 0.000 -0.000 2.300) 2.300 8.425 ( -0.000 0.000 -2.732) 2.732 8.957 ( 0.000 -0.000 1.490) 1.490 9.205 ( 0.000 -0.000 0.697) 0.697 9.205 ( -0.000 0.000 -4.234) 4.234 9.205 ( -0.000 0.000 -4.234) 4.234 9.258 ( 0.000 -0.000 0.903) 0.903 9.430 ( 0.000 -0.000 9.292) 9.292 10.094 ( 0.000 -0.000 2.528) 2.528 10.135 ( 0.000 -0.000 8.107) 8.107 10.350 ( 0.000 -0.000 4.264) 4.264 10.350 ( 0.000 -0.000 4.264) 4.264 10.423 ( -0.000 0.000 -1.493) 1.493 10.666 ( -0.000 0.000 -18.931) 18.931 10.873 ( -0.000 0.000 -1.623) 1.623 10.873 ( -0.000 0.000 -1.623) 1.623 11.144 ( 0.000 -0.000 7.234) 7.234 11.144 ( 0.000 -0.000 7.234) 7.234 11.330 ( 0.000 -0.000 0.298) 0.298 11.641 ( 0.000 -0.000 18.950) 18.950 11.889 ( 0.000 -0.000 2.366) 2.366 12.400 ( -0.000 0.000 -2.063) 2.063 12.476 ( 0.000 -0.000 0.700) 0.700 12.476 ( 0.000 -0.000 0.700) 0.700 12.783 ( -0.000 0.000 -14.386) 14.386 13.068 ( -0.000 0.000 -1.857) 1.857 13.068 ( -0.000 0.000 -1.857) 1.857 13.113 ( -0.000 0.000 -5.120) 5.120 13.625 ( 0.000 -0.000 2.035) 2.035 13.625 ( 0.000 -0.000 2.035) 2.035 13.935 ( -0.000 0.000 -8.440) 8.440 14.042 ( 0.000 -0.000 1.635) 1.635 14.172 ( -0.000 0.000 -7.260) 7.260 14.442 ( 0.000 -0.000 0.561) 0.561 14.442 ( 0.000 -0.000 0.561) 0.561 14.807 ( 0.000 -0.000 11.003) 11.003 14.867 ( -0.000 0.000 -7.561) 7.561 15.167 ( -0.000 0.000 -21.487) 21.487 15.167 ( -0.000 0.000 -21.487) 21.487 15.997 ( -0.000 0.000 -11.897) 11.897 16.727 ( 0.000 -0.000 8.950) 8.950 16.727 ( 0.000 -0.000 8.950) 8.950 16.884 ( 0.000 -0.000 4.996) 4.996 17.167 ( -0.000 0.000 -6.528) 6.528 17.482 ( -0.000 0.000 -2.942) 2.942 17.482 ( -0.000 0.000 -2.942) 2.942 18.000 ( -0.000 0.000 -0.341) 0.341 ======================= Grid point 129 (47/50) ======================= q-point: ( 0.37 -0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( -0.080 22.302 -0.000) 22.302 1.435 ( -3.602 21.654 -0.000) 21.952 1.637 ( 0.761 -3.955 0.000) 4.027 1.902 ( 18.879 -6.229 0.000) 19.880 1.940 ( -1.774 -5.247 0.000) 5.539 1.983 ( -16.360 -10.411 -0.000) 19.392 2.157 ( 1.209 -17.181 0.000) 17.224 2.168 ( 0.450 -11.717 0.000) 11.726 2.424 ( 0.312 -1.227 0.000) 1.266 2.563 ( -2.331 17.064 -0.000) 17.223 2.620 ( 0.140 3.146 -0.000) 3.149 2.728 ( 3.375 -4.871 0.000) 5.925 2.783 ( 0.222 7.085 -0.000) 7.089 2.865 ( -0.418 3.390 -0.000) 3.416 2.881 ( 0.515 8.545 -0.000) 8.560 3.028 ( 0.162 -5.470 0.000) 5.472 3.052 ( 1.419 1.516 -0.000) 2.076 3.086 ( -1.027 -1.877 0.000) 2.139 3.224 ( -0.119 1.347 -0.000) 1.352 3.259 ( -1.992 9.800 -0.000) 10.000 3.445 ( 2.506 4.929 -0.000) 5.530 3.503 ( -1.551 -2.875 0.000) 3.267 3.586 ( 1.171 -0.550 0.000) 1.293 3.656 ( -5.543 3.486 -0.000) 6.548 3.834 ( -4.829 -3.730 -0.000) 6.102 3.847 ( 0.321 7.571 -0.000) 7.578 3.931 ( 4.583 -1.962 0.000) 4.985 3.940 ( -1.205 3.226 -0.000) 3.444 3.993 ( 3.504 -0.932 0.000) 3.626 4.049 ( 1.309 -2.070 0.000) 2.449 4.169 ( -0.010 -3.401 0.000) 3.401 4.226 ( 8.033 -2.255 0.000) 8.343 4.255 ( -0.182 -3.384 0.000) 3.389 4.297 ( -7.024 -1.703 -0.000) 7.228 4.524 ( -0.057 -6.540 0.000) 6.541 4.650 ( -0.013 -14.985 0.000) 14.985 4.676 ( -0.749 5.544 -0.000) 5.595 4.858 ( -4.771 -3.450 -0.000) 5.887 4.870 ( 2.862 -3.687 0.000) 4.667 4.923 ( 1.379 -0.595 0.000) 1.502 5.113 ( 1.039 -2.563 0.000) 2.766 5.165 ( -3.738 3.094 -0.000) 4.852 5.228 ( 3.682 -1.960 0.000) 4.172 5.339 ( -0.428 -1.191 0.000) 1.266 5.403 ( -0.414 1.455 -0.000) 1.512 5.407 ( 0.195 0.904 -0.000) 0.925 5.637 ( -3.319 -1.502 -0.000) 3.643 5.710 ( 3.295 -6.474 0.000) 7.264 5.748 ( 0.275 1.484 -0.000) 1.509 5.858 ( 0.182 3.700 -0.000) 3.705 6.065 ( -0.178 1.638 -0.000) 1.648 6.586 ( 1.865 5.249 -0.000) 5.571 6.695 ( -2.886 0.216 -0.000) 2.894 6.728 ( 0.001 7.376 -0.000) 7.376 6.735 ( 0.062 0.317 -0.000) 0.324 6.851 ( -1.214 -0.993 -0.000) 1.568 6.890 ( 0.489 -1.301 0.000) 1.390 6.904 ( 0.613 -0.546 0.000) 0.821 7.016 ( 0.719 -2.772 0.000) 2.864 7.283 ( -2.008 4.607 -0.000) 5.026 7.390 ( 2.925 -2.233 0.000) 3.680 7.530 ( -1.375 -4.127 0.000) 4.350 7.707 ( 1.910 3.311 -0.000) 3.822 7.817 ( -1.385 -5.594 0.000) 5.763 8.024 ( -0.327 -11.015 0.000) 11.020 8.304 ( -0.112 -8.032 0.000) 8.033 8.462 ( -0.330 4.701 -0.000) 4.713 8.731 ( -1.607 2.932 -0.000) 3.344 8.766 ( 2.822 0.053 0.000) 2.822 8.903 ( -0.373 -7.012 0.000) 7.022 8.953 ( 0.742 8.352 -0.000) 8.385 9.014 ( 2.373 2.056 0.000) 3.140 9.058 ( -3.193 -0.414 -0.000) 3.219 9.132 ( 0.229 1.702 -0.000) 1.717 9.295 ( 0.280 1.873 -0.000) 1.894 9.675 ( 0.334 -1.158 0.000) 1.205 9.760 ( 2.024 0.759 0.000) 2.162 10.261 ( -14.887 6.105 -0.000) 16.090 10.337 ( -0.883 4.577 -0.000) 4.661 10.382 ( 12.105 -3.645 0.000) 12.642 10.476 ( -0.699 -2.142 0.000) 2.253 10.484 ( 1.224 -8.170 0.000) 8.261 10.847 ( -1.166 6.873 -0.000) 6.971 10.908 ( 1.590 1.098 0.000) 1.932 11.223 ( -0.109 -8.151 0.000) 8.151 11.255 ( -0.150 2.851 -0.000) 2.855 11.398 ( 0.102 -0.631 0.000) 0.639 11.573 ( -0.206 1.168 -0.000) 1.186 12.197 ( -0.165 13.388 -0.000) 13.389 12.427 ( 0.230 6.524 -0.000) 6.528 12.659 ( 2.305 -6.979 0.000) 7.350 12.671 ( -2.254 -6.039 0.000) 6.446 13.152 ( 0.034 0.397 -0.000) 0.398 13.178 ( -0.021 -2.024 0.000) 2.024 13.402 ( 0.615 1.881 -0.000) 1.979 13.554 ( -4.206 -3.029 -0.000) 5.183 13.663 ( 3.939 -10.906 0.000) 11.596 13.964 ( 1.896 3.032 -0.000) 3.576 14.007 ( -2.469 -1.203 -0.000) 2.747 14.264 ( -0.181 -0.178 -0.000) 0.253 14.267 ( 0.178 -0.347 0.000) 0.390 14.479 ( 0.600 0.571 0.000) 0.828 14.812 ( 0.016 1.599 -0.000) 1.599 15.186 ( -1.605 4.363 -0.000) 4.649 15.732 ( 2.337 8.392 -0.000) 8.711 15.879 ( -0.885 -5.357 0.000) 5.430 16.484 ( -0.318 7.497 -0.000) 7.504 16.845 ( -0.731 -0.546 -0.000) 0.912 16.873 ( 1.032 0.551 0.000) 1.170 16.942 ( -0.266 -5.815 0.000) 5.821 17.472 ( 0.585 -0.566 0.000) 0.814 17.670 ( -1.307 2.057 -0.000) 2.437 17.721 ( 0.798 -2.898 0.000) 3.006 18.045 ( -0.029 2.223 -0.000) 2.223 ======================= Grid point 133 (48/50) ======================= q-point: ( 0.61 -0.39 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( 0.000 -0.000 10.596) 10.596 1.939 ( 0.000 -0.000 5.342) 5.342 1.939 ( 0.000 -0.000 5.342) 5.342 2.087 ( 0.000 -0.000 4.906) 4.906 2.364 ( 0.000 -0.000 14.250) 14.250 2.399 ( 0.000 -0.000 26.041) 26.041 2.399 ( 0.000 -0.000 26.041) 26.041 2.500 ( 0.000 -0.000 25.773) 25.773 2.510 ( 0.000 -0.000 5.699) 5.699 2.557 ( -0.000 0.000 -0.856) 0.856 2.614 ( -0.000 0.000 -1.358) 1.358 2.614 ( -0.000 0.000 -1.358) 1.358 2.974 ( 0.000 -0.000 1.308) 1.308 2.974 ( 0.000 -0.000 1.308) 1.308 3.077 ( 0.000 -0.000 4.891) 4.891 3.077 ( 0.000 -0.000 4.891) 4.891 3.141 ( 0.000 -0.000 1.803) 1.803 3.168 ( 0.000 -0.000 10.292) 10.292 3.278 ( 0.000 -0.000 0.838) 0.838 3.410 ( -0.000 0.000 -4.937) 4.937 3.410 ( -0.000 0.000 -4.937) 4.937 3.416 ( 0.000 -0.000 2.346) 2.346 3.606 ( -0.000 0.000 -2.661) 2.661 3.620 ( -0.000 0.000 -2.614) 2.614 3.620 ( -0.000 0.000 -2.614) 2.614 3.794 ( -0.000 0.000 -2.522) 2.522 3.867 ( -0.000 0.000 -1.622) 1.622 3.982 ( -0.000 0.000 -0.747) 0.747 3.982 ( -0.000 0.000 -0.747) 0.747 4.005 ( -0.000 0.000 -3.461) 3.461 4.169 ( -0.000 0.000 -0.369) 0.369 4.169 ( -0.000 0.000 -0.369) 0.369 4.228 ( 0.000 -0.000 3.448) 3.448 4.282 ( 0.000 -0.000 1.699) 1.699 4.519 ( 0.000 -0.000 3.329) 3.329 4.605 ( 0.000 -0.000 4.416) 4.416 4.744 ( -0.000 0.000 -7.181) 7.181 4.811 ( 0.000 -0.000 0.332) 0.332 4.811 ( 0.000 -0.000 0.332) 0.332 4.942 ( -0.000 0.000 -0.815) 0.815 5.195 ( -0.000 0.000 -0.657) 0.657 5.195 ( -0.000 0.000 -0.657) 0.657 5.216 ( -0.000 0.000 -7.457) 7.457 5.231 ( 0.000 -0.000 9.820) 9.820 5.389 ( -0.000 0.000 -4.190) 4.190 5.389 ( -0.000 0.000 -4.190) 4.190 5.738 ( 0.000 -0.000 6.709) 6.709 5.738 ( 0.000 -0.000 6.709) 6.709 5.754 ( -0.000 0.000 -0.657) 0.657 5.836 ( -0.000 0.000 -5.100) 5.100 6.070 ( -0.000 0.000 -0.993) 0.993 6.575 ( -0.000 0.000 -0.312) 0.312 6.610 ( -0.000 0.000 -4.579) 4.579 6.610 ( -0.000 0.000 -4.579) 4.579 6.784 ( -0.000 0.000 -8.942) 8.942 6.792 ( -0.000 0.000 -2.136) 2.136 6.792 ( -0.000 0.000 -2.136) 2.136 6.963 ( 0.000 -0.000 2.207) 2.207 7.007 ( 0.000 -0.000 3.166) 3.166 7.326 ( -0.000 0.000 -1.630) 1.630 7.326 ( -0.000 0.000 -1.630) 1.630 7.490 ( 0.000 -0.000 2.843) 2.843 7.900 ( 0.000 -0.000 6.637) 6.637 7.900 ( 0.000 -0.000 6.637) 6.637 7.961 ( -0.000 0.000 -9.966) 9.966 7.987 ( 0.000 -0.000 3.816) 3.816 8.288 ( -0.000 0.000 -9.785) 9.785 8.288 ( -0.000 0.000 -9.785) 9.785 8.473 ( -0.000 0.000 -2.107) 2.107 8.921 ( 0.000 -0.000 2.096) 2.096 9.161 ( 0.000 -0.000 4.267) 4.267 9.200 ( 0.000 -0.000 3.921) 3.921 9.266 ( -0.000 0.000 -1.101) 1.101 9.266 ( -0.000 0.000 -1.101) 1.101 9.330 ( 0.000 -0.000 2.165) 2.165 9.968 ( 0.000 -0.000 9.281) 9.281 9.981 ( 0.000 -0.000 7.178) 7.178 10.249 ( 0.000 -0.000 4.751) 4.751 10.249 ( 0.000 -0.000 4.751) 4.751 10.435 ( -0.000 0.000 -0.166) 0.166 10.837 ( 0.000 -0.000 6.047) 6.047 10.837 ( 0.000 -0.000 6.047) 6.047 10.979 ( -0.000 0.000 -11.251) 11.251 11.014 ( 0.000 -0.000 5.749) 5.749 11.014 ( 0.000 -0.000 5.749) 5.749 11.335 ( -0.000 0.000 -0.857) 0.857 11.353 ( 0.000 -0.000 9.455) 9.455 11.797 ( 0.000 -0.000 6.560) 6.560 12.425 ( 0.000 -0.000 0.266) 0.266 12.472 ( -0.000 0.000 -0.839) 0.839 12.472 ( -0.000 0.000 -0.839) 0.839 12.874 ( 0.000 -0.000 4.738) 4.738 13.067 ( 0.000 -0.000 0.507) 0.507 13.067 ( 0.000 -0.000 0.507) 0.507 13.184 ( -0.000 0.000 -5.594) 5.594 13.589 ( 0.000 -0.000 1.748) 1.748 13.589 ( 0.000 -0.000 1.748) 1.748 14.150 ( -0.000 0.000 -8.341) 8.341 14.172 ( -0.000 0.000 -12.380) 12.380 14.325 ( -0.000 0.000 -7.150) 7.150 14.379 ( 0.000 -0.000 7.453) 7.453 14.379 ( 0.000 -0.000 7.453) 7.453 14.647 ( 0.000 -0.000 2.809) 2.809 15.027 ( -0.000 0.000 -8.567) 8.567 15.583 ( -0.000 0.000 -17.786) 17.786 15.583 ( -0.000 0.000 -17.786) 17.786 16.235 ( -0.000 0.000 -12.297) 12.297 16.608 ( 0.000 -0.000 0.263) 0.263 16.608 ( 0.000 -0.000 0.263) 0.263 16.817 ( 0.000 -0.000 1.407) 1.407 17.300 ( -0.000 0.000 -6.734) 6.734 17.564 ( -0.000 0.000 -4.853) 4.853 17.564 ( -0.000 0.000 -4.853) 4.853 18.012 ( -0.000 0.000 -1.117) 1.117 ======================= Grid point 156 (49/50) ======================= q-point: ( 0.56 -0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 0.000 -0.000 5.648) 5.648 1.812 ( 0.000 -0.000 13.506) 13.506 1.812 ( 0.000 -0.000 13.506) 13.506 1.914 ( 0.000 -0.000 12.383) 12.383 1.914 ( 0.000 -0.000 12.383) 12.383 2.010 ( 0.000 -0.000 3.011) 3.011 2.023 ( 0.000 -0.000 19.267) 19.267 2.111 ( 0.000 -0.000 9.943) 9.943 2.436 ( 0.000 -0.000 2.307) 2.307 2.599 ( -0.000 0.000 -1.586) 1.586 2.656 ( -0.000 0.000 -1.515) 1.515 2.656 ( -0.000 0.000 -1.515) 1.515 2.925 ( 0.000 -0.000 2.717) 2.717 2.925 ( 0.000 -0.000 2.717) 2.717 2.997 ( 0.000 -0.000 6.430) 6.430 3.041 ( 0.000 -0.000 0.092) 0.092 3.041 ( 0.000 -0.000 0.092) 0.092 3.107 ( 0.000 -0.000 1.446) 1.446 3.253 ( 0.000 -0.000 1.312) 1.312 3.394 ( 0.000 -0.000 0.197) 0.197 3.476 ( -0.000 0.000 -1.627) 1.627 3.476 ( -0.000 0.000 -1.627) 1.627 3.646 ( -0.000 0.000 -1.355) 1.355 3.688 ( -0.000 0.000 -3.758) 3.758 3.688 ( -0.000 0.000 -3.758) 3.758 3.844 ( -0.000 0.000 -2.109) 2.109 3.911 ( -0.000 0.000 -2.923) 2.923 3.987 ( 0.000 -0.000 0.193) 0.193 3.987 ( 0.000 -0.000 0.193) 0.193 4.043 ( -0.000 0.000 -0.127) 0.127 4.164 ( 0.000 -0.000 3.005) 3.005 4.187 ( -0.000 0.000 -1.148) 1.148 4.187 ( -0.000 0.000 -1.148) 1.148 4.241 ( 0.000 -0.000 2.303) 2.303 4.447 ( 0.000 -0.000 2.877) 2.877 4.553 ( 0.000 -0.000 0.922) 0.922 4.801 ( 0.000 -0.000 3.269) 3.269 4.819 ( -0.000 0.000 -0.871) 0.871 4.819 ( -0.000 0.000 -0.871) 0.871 4.938 ( 0.000 -0.000 1.384) 1.384 5.080 ( 0.000 -0.000 1.903) 1.903 5.199 ( 0.000 -0.000 0.328) 0.328 5.199 ( 0.000 -0.000 0.328) 0.328 5.332 ( -0.000 0.000 -3.991) 3.991 5.422 ( 0.000 -0.000 0.247) 0.247 5.422 ( 0.000 -0.000 0.247) 0.247 5.645 ( 0.000 -0.000 2.576) 2.576 5.645 ( 0.000 -0.000 2.576) 2.576 5.759 ( -0.000 0.000 -0.133) 0.133 5.886 ( -0.000 0.000 -0.806) 0.806 6.091 ( -0.000 0.000 -0.142) 0.142 6.612 ( -0.000 0.000 -3.166) 3.166 6.683 ( -0.000 0.000 -2.379) 2.379 6.683 ( -0.000 0.000 -2.379) 2.379 6.825 ( -0.000 0.000 -1.306) 1.306 6.825 ( -0.000 0.000 -1.306) 1.306 6.917 ( -0.000 0.000 -0.135) 0.135 6.917 ( 0.000 -0.000 5.201) 5.201 6.942 ( -0.000 0.000 -4.039) 4.039 7.353 ( -0.000 0.000 -1.151) 1.151 7.353 ( -0.000 0.000 -1.151) 1.151 7.457 ( 0.000 -0.000 0.673) 0.673 7.786 ( 0.000 -0.000 4.450) 4.450 7.786 ( 0.000 -0.000 4.450) 4.450 7.938 ( 0.000 -0.000 1.755) 1.755 8.139 ( -0.000 0.000 -7.745) 7.745 8.505 ( -0.000 0.000 -1.128) 1.128 8.542 ( -0.000 0.000 -15.253) 15.253 8.542 ( -0.000 0.000 -15.253) 15.253 8.866 ( 0.000 -0.000 3.770) 3.770 9.060 ( 0.000 -0.000 4.533) 4.533 9.154 ( 0.000 -0.000 0.520) 0.520 9.209 ( 0.000 -0.000 7.554) 7.554 9.209 ( 0.000 -0.000 7.554) 7.554 9.307 ( 0.000 -0.000 0.194) 0.194 9.755 ( 0.000 -0.000 11.194) 11.194 9.865 ( 0.000 -0.000 4.382) 4.382 10.215 ( -0.000 0.000 -2.299) 2.299 10.215 ( -0.000 0.000 -2.299) 2.299 10.436 ( 0.000 -0.000 0.033) 0.033 10.628 ( 0.000 -0.000 13.822) 13.822 10.628 ( 0.000 -0.000 13.822) 13.822 10.939 ( 0.000 -0.000 2.075) 2.075 10.939 ( 0.000 -0.000 2.075) 2.075 11.115 ( -0.000 0.000 -3.701) 3.701 11.268 ( 0.000 -0.000 0.185) 0.185 11.364 ( -0.000 0.000 -1.644) 1.644 11.663 ( 0.000 -0.000 6.040) 6.040 12.406 ( 0.000 -0.000 1.006) 1.006 12.504 ( -0.000 0.000 -1.798) 1.798 12.504 ( -0.000 0.000 -1.798) 1.798 12.698 ( 0.000 -0.000 10.212) 10.212 13.093 ( -0.000 0.000 -3.591) 3.591 13.093 ( -0.000 0.000 -3.591) 3.591 13.346 ( -0.000 0.000 -8.944) 8.944 13.554 ( 0.000 -0.000 1.928) 1.928 13.554 ( 0.000 -0.000 1.928) 1.928 14.157 ( 0.000 -0.000 13.068) 13.068 14.157 ( 0.000 -0.000 13.068) 13.068 14.256 ( -0.000 0.000 -1.943) 1.943 14.277 ( 0.000 -0.000 0.312) 0.312 14.433 ( -0.000 0.000 -4.089) 4.089 14.737 ( -0.000 0.000 -8.042) 8.042 15.182 ( -0.000 0.000 -6.324) 6.324 15.785 ( -0.000 0.000 -3.910) 3.910 15.785 ( -0.000 0.000 -3.910) 3.910 16.462 ( -0.000 0.000 -9.709) 9.709 16.743 ( -0.000 0.000 -10.754) 10.754 16.743 ( -0.000 0.000 -10.754) 10.754 16.829 ( -0.000 0.000 -1.992) 1.992 17.418 ( -0.000 0.000 -4.787) 4.787 17.652 ( -0.000 0.000 -3.606) 3.606 17.652 ( -0.000 0.000 -3.606) 3.606 18.044 ( -0.000 0.000 -1.823) 1.823 ======================= Grid point 179 (50/50) ======================= q-point: (-0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 0.000 0.000 0.000) 0.000 1.600 ( -0.000 0.000 -0.000) 0.000 1.695 ( -0.000 0.000 -0.000) 0.000 1.818 ( 0.000 0.000 -0.000) 0.000 1.849 ( 0.000 0.000 -0.000) 0.000 1.849 ( 0.000 0.000 -0.000) 0.000 1.968 ( 0.000 0.000 -0.000) 0.000 2.019 ( 0.000 0.000 0.000) 0.000 2.413 ( 0.000 0.000 -0.000) 0.000 2.615 ( -0.000 0.000 -0.000) 0.000 2.671 ( -0.000 0.000 -0.000) 0.000 2.671 ( -0.000 0.000 -0.000) 0.000 2.896 ( 0.000 0.000 0.000) 0.000 2.896 ( 0.000 0.000 -0.000) 0.000 2.932 ( -0.000 -0.000 0.000) 0.000 3.042 ( -0.000 0.000 -0.000) 0.000 3.042 ( -0.000 0.000 -0.000) 0.000 3.092 ( 0.000 0.000 0.000) 0.000 3.238 ( 0.000 0.000 -0.000) 0.000 3.395 ( 0.000 0.000 -0.000) 0.000 3.490 ( -0.000 0.000 -0.000) 0.000 3.490 ( 0.000 0.000 -0.000) 0.000 3.659 ( -0.000 0.000 -0.000) 0.000 3.732 ( 0.000 -0.000 0.000) 0.000 3.732 ( -0.000 0.000 -0.000) 0.000 3.866 ( 0.000 0.000 -0.000) 0.000 3.964 ( 0.000 0.000 -0.000) 0.000 3.983 ( -0.000 -0.000 0.000) 0.000 3.983 ( 0.000 0.000 0.000) 0.000 4.017 ( 0.000 0.000 -0.000) 0.000 4.130 ( 0.000 0.000 -0.000) 0.000 4.200 ( -0.000 -0.000 0.000) 0.000 4.200 ( -0.000 0.000 -0.000) 0.000 4.212 ( 0.000 0.000 -0.000) 0.000 4.421 ( 0.000 0.000 -0.000) 0.000 4.547 ( 0.000 0.000 -0.000) 0.000 4.734 ( -0.000 0.000 -0.000) 0.000 4.830 ( -0.000 0.000 -0.000) 0.000 4.830 ( 0.000 0.000 -0.000) 0.000 4.916 ( 0.000 0.000 -0.000) 0.000 5.090 ( -0.000 0.000 -0.000) 0.000 5.191 ( -0.000 0.000 -0.000) 0.000 5.191 ( 0.000 0.000 -0.000) 0.000 5.371 ( 0.000 0.000 -0.000) 0.000 5.415 ( 0.000 0.000 -0.000) 0.000 5.415 ( -0.000 0.000 -0.000) 0.000 5.623 ( -0.000 0.000 -0.000) 0.000 5.623 ( -0.000 0.000 -0.000) 0.000 5.761 ( -0.000 0.000 -0.000) 0.000 5.893 ( -0.000 0.000 -0.000) 0.000 6.084 ( -0.000 0.000 -0.000) 0.000 6.658 ( 0.000 0.000 -0.000) 0.000 6.704 ( -0.000 -0.000 0.000) 0.000 6.704 ( 0.000 0.000 -0.000) 0.000 6.840 ( -0.000 -0.000 0.000) 0.000 6.840 ( -0.000 0.000 -0.000) 0.000 6.851 ( 0.000 0.000 -0.000) 0.000 6.904 ( -0.000 0.000 -0.000) 0.000 6.996 ( 0.000 0.000 -0.000) 0.000 7.366 ( -0.000 0.000 -0.000) 0.000 7.366 ( 0.000 0.000 -0.000) 0.000 7.453 ( -0.000 -0.000 0.000) 0.000 7.740 ( -0.000 0.000 -0.000) 0.000 7.740 ( 0.000 0.000 -0.000) 0.000 7.918 ( 0.000 0.000 -0.000) 0.000 8.228 ( -0.000 0.000 -0.000) 0.000 8.515 ( 0.000 0.000 -0.000) 0.000 8.777 ( -0.000 0.000 -0.000) 0.000 8.777 ( 0.000 0.000 -0.000) 0.000 8.811 ( 0.000 0.000 -0.000) 0.000 9.016 ( 0.000 0.000 -0.000) 0.000 9.050 ( -0.000 0.000 -0.000) 0.000 9.050 ( 0.000 0.000 -0.000) 0.000 9.157 ( 0.000 0.000 -0.000) 0.000 9.316 ( 0.000 0.000 -0.000) 0.000 9.617 ( -0.000 0.000 -0.000) 0.000 9.820 ( 0.000 0.000 0.000) 0.000 10.322 ( -0.000 0.000 -0.000) 0.000 10.322 ( 0.000 0.000 -0.000) 0.000 10.397 ( -0.000 0.000 -0.000) 0.000 10.397 ( 0.000 0.000 -0.000) 0.000 10.435 ( 0.000 0.000 -0.000) 0.000 10.920 ( 0.000 0.000 0.000) 0.000 10.920 ( 0.000 0.000 -0.000) 0.000 11.151 ( -0.000 0.000 -0.000) 0.000 11.281 ( -0.000 0.000 -0.000) 0.000 11.381 ( -0.000 0.000 -0.000) 0.000 11.598 ( -0.000 0.000 -0.000) 0.000 12.395 ( 0.000 0.000 0.000) 0.000 12.523 ( -0.000 0.000 -0.000) 0.000 12.523 ( -0.000 0.000 -0.000) 0.000 12.579 ( 0.000 -0.000 0.000) 0.000 13.156 ( 0.000 0.000 -0.000) 0.000 13.156 ( -0.000 0.000 -0.000) 0.000 13.450 ( -0.000 0.000 -0.000) 0.000 13.525 ( 0.000 0.000 -0.000) 0.000 13.525 ( 0.000 0.000 -0.000) 0.000 13.998 ( 0.000 0.000 -0.000) 0.000 13.998 ( -0.000 0.000 -0.000) 0.000 14.263 ( -0.000 0.000 -0.000) 0.000 14.264 ( 0.000 0.000 -0.000) 0.000 14.474 ( -0.000 0.000 -0.000) 0.000 14.827 ( 0.000 0.000 -0.000) 0.000 15.247 ( 0.000 0.000 -0.000) 0.000 15.813 ( 0.000 0.000 -0.000) 0.000 15.813 ( -0.000 0.000 -0.000) 0.000 16.566 ( 0.000 0.000 -0.000) 0.000 16.856 ( 0.000 0.000 -0.000) 0.000 16.872 ( -0.000 -0.000 -0.000) 0.000 16.872 ( 0.000 0.000 0.000) 0.000 17.468 ( -0.000 0.000 -0.000) 0.000 17.690 ( 0.000 0.000 -0.000) 0.000 17.690 ( -0.000 0.000 -0.000) 0.000 18.065 ( 0.000 0.000 -0.000) 0.000 =================== 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 3/32832 10.0 2402.988 2402.988 1796.258 -0.000 0.000 0.000 3/32832 20.0 426.125 426.125 474.667 -0.000 0.000 0.000 3/32832 30.0 139.112 139.112 173.883 -0.000 0.000 0.000 3/32832 40.0 68.329 68.329 89.724 -0.000 0.000 0.000 3/32832 50.0 41.490 41.490 56.028 -0.000 0.000 0.000 3/32832 60.0 28.444 28.444 39.045 -0.000 0.000 0.000 3/32832 70.0 21.065 21.065 29.204 -0.000 0.000 0.000 3/32832 80.0 16.454 16.454 22.954 -0.000 0.000 0.000 3/32832 90.0 13.361 13.361 18.718 -0.000 0.000 0.000 3/32832 100.0 11.174 11.174 15.702 -0.000 0.000 0.000 3/32832 110.0 9.562 9.562 13.469 -0.000 0.000 0.000 3/32832 120.0 8.336 8.336 11.765 -0.000 0.000 0.000 3/32832 130.0 7.376 7.376 10.428 -0.000 0.000 0.000 3/32832 140.0 6.609 6.609 9.357 -0.000 0.000 0.000 3/32832 150.0 5.982 5.982 8.483 -0.000 0.000 0.000 3/32832 160.0 5.463 5.463 7.757 -0.000 0.000 0.000 3/32832 170.0 5.027 5.027 7.145 -0.000 0.000 0.000 3/32832 180.0 4.655 4.655 6.624 -0.000 0.000 0.000 3/32832 190.0 4.334 4.334 6.175 -0.000 0.000 0.000 3/32832 200.0 4.056 4.056 5.784 -0.000 0.000 0.000 3/32832 210.0 3.812 3.812 5.441 -0.000 0.000 0.000 3/32832 220.0 3.596 3.596 5.138 -0.000 0.000 0.000 3/32832 230.0 3.403 3.403 4.867 -0.000 0.000 0.000 3/32832 240.0 3.231 3.231 4.624 -0.000 0.000 0.000 3/32832 250.0 3.076 3.076 4.405 -0.000 0.000 0.000 3/32832 260.0 2.935 2.935 4.207 -0.000 0.000 0.000 3/32832 270.0 2.808 2.808 4.026 -0.000 0.000 0.000 3/32832 280.0 2.691 2.691 3.861 -0.000 0.000 0.000 3/32832 290.0 2.583 2.583 3.709 -0.000 0.000 0.000 3/32832 300.0 2.485 2.485 3.569 -0.000 0.000 0.000 3/32832 310.0 2.393 2.393 3.440 -0.000 0.000 0.000 3/32832 320.0 2.309 2.309 3.320 -0.000 0.000 0.000 3/32832 330.0 2.230 2.230 3.208 -0.000 0.000 0.000 3/32832 340.0 2.157 2.157 3.104 -0.000 0.000 0.000 3/32832 350.0 2.088 2.088 3.007 -0.000 0.000 0.000 3/32832 360.0 2.024 2.024 2.915 -0.000 0.000 0.000 3/32832 370.0 1.964 1.964 2.830 -0.000 0.000 0.000 3/32832 380.0 1.907 1.907 2.749 -0.000 0.000 0.000 3/32832 390.0 1.854 1.854 2.673 -0.000 0.000 0.000 3/32832 400.0 1.804 1.804 2.601 -0.000 0.000 0.000 3/32832 410.0 1.756 1.756 2.533 -0.000 0.000 0.000 3/32832 420.0 1.711 1.711 2.468 -0.000 0.000 0.000 3/32832 430.0 1.668 1.668 2.407 -0.000 0.000 0.000 3/32832 440.0 1.627 1.627 2.349 -0.000 0.000 0.000 3/32832 450.0 1.589 1.589 2.294 -0.000 0.000 0.000 3/32832 460.0 1.552 1.552 2.241 -0.000 0.000 0.000 3/32832 470.0 1.517 1.517 2.191 -0.000 0.000 0.000 3/32832 480.0 1.483 1.483 2.142 -0.000 0.000 0.000 3/32832 490.0 1.451 1.451 2.097 -0.000 0.000 0.000 3/32832 500.0 1.420 1.420 2.053 -0.000 0.000 0.000 3/32832 510.0 1.391 1.391 2.010 -0.000 0.000 0.000 3/32832 520.0 1.363 1.363 1.970 -0.000 0.000 0.000 3/32832 530.0 1.336 1.336 1.931 -0.000 0.000 0.000 3/32832 540.0 1.310 1.310 1.894 -0.000 0.000 0.000 3/32832 550.0 1.285 1.285 1.858 -0.000 0.000 0.000 3/32832 560.0 1.261 1.261 1.824 -0.000 0.000 0.000 3/32832 570.0 1.238 1.238 1.790 -0.000 0.000 0.000 3/32832 580.0 1.216 1.216 1.758 -0.000 0.000 0.000 3/32832 590.0 1.194 1.194 1.728 -0.000 0.000 0.000 3/32832 600.0 1.174 1.174 1.698 -0.000 0.000 0.000 3/32832 610.0 1.154 1.154 1.669 -0.000 0.000 0.000 3/32832 620.0 1.134 1.134 1.641 -0.000 0.000 0.000 3/32832 630.0 1.116 1.116 1.614 -0.000 0.000 0.000 3/32832 640.0 1.098 1.098 1.588 -0.000 0.000 0.000 3/32832 650.0 1.080 1.080 1.563 -0.000 0.000 0.000 3/32832 660.0 1.063 1.063 1.539 -0.000 0.000 0.000 3/32832 670.0 1.047 1.047 1.515 -0.000 0.000 0.000 3/32832 680.0 1.031 1.031 1.493 -0.000 0.000 0.000 3/32832 690.0 1.016 1.016 1.470 -0.000 0.000 0.000 3/32832 700.0 1.001 1.001 1.449 -0.000 0.000 0.000 3/32832 710.0 0.986 0.986 1.428 -0.000 0.000 0.000 3/32832 720.0 0.972 0.972 1.408 -0.000 0.000 0.000 3/32832 730.0 0.958 0.958 1.388 -0.000 0.000 0.000 3/32832 740.0 0.945 0.945 1.369 -0.000 0.000 0.000 3/32832 750.0 0.932 0.932 1.350 -0.000 0.000 0.000 3/32832 760.0 0.920 0.920 1.332 -0.000 0.000 0.000 3/32832 770.0 0.907 0.907 1.314 -0.000 0.000 0.000 3/32832 780.0 0.895 0.895 1.297 -0.000 0.000 0.000 3/32832 790.0 0.884 0.884 1.280 -0.000 0.000 0.000 3/32832 800.0 0.873 0.873 1.264 -0.000 0.000 0.000 3/32832 810.0 0.862 0.862 1.248 -0.000 0.000 0.000 3/32832 820.0 0.851 0.851 1.233 -0.000 0.000 0.000 3/32832 830.0 0.840 0.840 1.218 -0.000 0.000 0.000 3/32832 840.0 0.830 0.830 1.203 -0.000 0.000 0.000 3/32832 850.0 0.820 0.820 1.188 -0.000 0.000 0.000 3/32832 860.0 0.810 0.810 1.174 -0.000 0.000 0.000 3/32832 870.0 0.801 0.801 1.161 -0.000 0.000 0.000 3/32832 880.0 0.792 0.792 1.147 -0.000 0.000 0.000 3/32832 890.0 0.783 0.783 1.134 -0.000 0.000 0.000 3/32832 900.0 0.774 0.774 1.121 -0.000 0.000 0.000 3/32832 910.0 0.765 0.765 1.109 -0.000 0.000 0.000 3/32832 920.0 0.757 0.757 1.097 -0.000 0.000 0.000 3/32832 930.0 0.748 0.748 1.085 -0.000 0.000 0.000 3/32832 940.0 0.740 0.740 1.073 -0.000 0.000 0.000 3/32832 950.0 0.732 0.732 1.062 -0.000 0.000 0.000 3/32832 960.0 0.725 0.725 1.050 -0.000 0.000 0.000 3/32832 970.0 0.717 0.717 1.039 -0.000 0.000 0.000 3/32832 980.0 0.710 0.710 1.029 -0.000 0.000 0.000 3/32832 990.0 0.702 0.702 1.018 -0.000 0.000 0.000 3/32832 1000.0 0.695 0.695 1.008 -0.000 0.000 0.000 3/32832 Thermal conductivity related properties were written into "kappa-m1472.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:13:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|