----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 19:37:19]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 15.201040803355362 0.000000000000000 0.000000000000000 b 0.000000000000000 6.867561570000000 0.000000000000000 c -12.614036392333352 0.000000000000000 15.155847987637149 Atomic positions (fractional): *1 Cs 0.84440280106159 0.26298055482953 0.11914297217341 132.905 *2 Cs 0.93283873780711 0.25940561647851 0.38453527081539 132.905 3 Cs 0.06716126219289 0.75940561647851 0.11546472918461 132.905 4 Cs 0.15559719893841 0.76298055482953 0.38085702782659 132.905 *5 Cs 0.58326358383954 0.75643082500238 0.97461600169040 132.905 6 Cs 0.06716126219289 0.74059438352149 0.61546472918461 132.905 7 Cs 0.41673641616046 0.24356917499762 0.02538399830960 132.905 8 Cs 0.84440280106159 0.23701944517047 0.61914297217341 132.905 9 Cs 0.41673641616046 0.25643082500238 0.52538399830960 132.905 10 Cs 0.58326358383954 0.74356917499762 0.47461600169040 132.905 11 Cs 0.93283873780711 0.24059438352149 0.88453527081539 132.905 12 Cs 0.15559719893841 0.73701944517047 0.88085702782659 132.905 *13 Sm 0.35139478372836 0.23540560476061 0.22934898258303 150.360 14 Sm 0.64860521627164 0.73540560476061 0.27065101741697 150.360 15 Sm 0.35139478372836 0.26459439523939 0.72934898258303 150.360 16 Sm 0.64860521627164 0.76459439523939 0.77065101741697 150.360 *17 P 0.19314516135017 0.26058625447611 0.27755884086471 30.974 *18 P 0.34690105010005 0.72183496727082 0.62922912987231 30.974 19 P 0.19314516135017 0.23941374552389 0.77755884086471 30.974 20 P 0.65309894989995 0.27816503272918 0.37077087012769 30.974 21 P 0.80685483864983 0.76058625447611 0.22244115913529 30.974 22 P 0.65309894989995 0.22183496727082 0.87077087012769 30.974 23 P 0.80685483864983 0.73941374552389 0.72244115913529 30.974 24 P 0.34690105010005 0.77816503272918 0.12922912987231 30.974 *25 S 0.29850676267376 0.00324081442415 0.81637791675589 32.065 *26 S 0.44443335925086 0.75091145935270 0.59188253065302 32.065 *27 S 0.23947425580769 0.48640327699359 0.57069874541183 32.065 *28 S 0.45903643670391 0.65354566951327 0.76147384044709 32.065 29 S 0.70149323732624 0.50324081442415 0.68362208324411 32.065 *30 S 0.88890483751700 0.73359519547297 0.67329831197681 32.065 31 S 0.76052574419231 0.51359672300641 0.42930125458817 32.065 *32 S 0.70645009554530 0.98555691334375 0.68184607116596 32.065 *33 S 0.90404901344384 0.74324257640858 0.85697139260736 32.065 *34 S 0.25097627656043 0.53303827963684 0.09607318188412 32.065 35 S 0.76052574419231 0.98640327699359 0.92930125458817 32.065 36 S 0.70645009554530 0.51444308665625 0.18184607116596 32.065 37 S 0.29850676267376 0.49675918557585 0.31637791675589 32.065 38 S 0.74902372343957 0.46696172036316 0.90392681811588 32.065 39 S 0.11109516248300 0.26640480452703 0.32670168802319 32.065 40 S 0.54096356329609 0.34645433048673 0.23852615955291 32.065 41 S 0.29354990445470 0.01444308665625 0.31815392883404 32.065 42 S 0.29354990445470 0.48555691334375 0.81815392883404 32.065 43 S 0.54096356329609 0.15354566951327 0.73852615955291 32.065 44 S 0.25097627656043 0.96696172036316 0.59607318188412 32.065 45 S 0.74902372343957 0.03303827963684 0.40392681811588 32.065 46 S 0.45903643670391 0.84645433048673 0.26147384044709 32.065 47 S 0.55556664074914 0.25091145935270 0.90811746934698 32.065 48 S 0.11109516248300 0.23359519547297 0.82670168802319 32.065 49 S 0.44443335925086 0.74908854064730 0.09188253065302 32.065 50 S 0.90404901344384 0.75675742359142 0.35697139260736 32.065 51 S 0.70149323732624 0.99675918557585 0.18362208324411 32.065 52 S 0.09595098655616 0.24324257640858 0.64302860739264 32.065 53 S 0.23947425580769 0.01359672300641 0.07069874541183 32.065 54 S 0.88890483751700 0.76640480452703 0.17329831197681 32.065 55 S 0.09595098655616 0.25675742359142 0.14302860739264 32.065 56 S 0.55556664074914 0.24908854064730 0.40811746934698 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 15.201040803355362 0.000000000000000 0.000000000000000 b 0.000000000000000 6.867561570000000 0.000000000000000 c -12.614036392333352 0.000000000000000 15.155847987637149 Atomic positions (fractional): *1 Cs 0.84440280106159 0.26298055482953 0.11914297217341 132.905 > 1 *2 Cs 0.93283873780711 0.25940561647851 0.38453527081539 132.905 > 2 3 Cs 0.06716126219289 0.75940561647851 0.11546472918461 132.905 > 3 4 Cs 0.15559719893841 0.76298055482953 0.38085702782659 132.905 > 4 *5 Cs 0.58326358383954 0.75643082500238 0.97461600169040 132.905 > 5 6 Cs 0.06716126219289 0.74059438352149 0.61546472918461 132.905 > 6 7 Cs 0.41673641616046 0.24356917499762 0.02538399830960 132.905 > 7 8 Cs 0.84440280106159 0.23701944517047 0.61914297217341 132.905 > 8 9 Cs 0.41673641616046 0.25643082500238 0.52538399830960 132.905 > 9 10 Cs 0.58326358383954 0.74356917499762 0.47461600169040 132.905 > 10 11 Cs 0.93283873780711 0.24059438352149 0.88453527081539 132.905 > 11 12 Cs 0.15559719893841 0.73701944517047 0.88085702782659 132.905 > 12 *13 Sm 0.35139478372836 0.23540560476061 0.22934898258303 150.360 > 13 14 Sm 0.64860521627164 0.73540560476061 0.27065101741697 150.360 > 14 15 Sm 0.35139478372836 0.26459439523939 0.72934898258303 150.360 > 15 16 Sm 0.64860521627164 0.76459439523939 0.77065101741697 150.360 > 16 *17 P 0.19314516135017 0.26058625447611 0.27755884086471 30.974 > 17 *18 P 0.34690105010005 0.72183496727082 0.62922912987231 30.974 > 18 19 P 0.19314516135017 0.23941374552389 0.77755884086471 30.974 > 19 20 P 0.65309894989995 0.27816503272918 0.37077087012769 30.974 > 20 21 P 0.80685483864983 0.76058625447611 0.22244115913529 30.974 > 21 22 P 0.65309894989995 0.22183496727082 0.87077087012769 30.974 > 22 23 P 0.80685483864983 0.73941374552389 0.72244115913529 30.974 > 23 24 P 0.34690105010005 0.77816503272918 0.12922912987231 30.974 > 24 *25 S 0.29850676267376 0.00324081442415 0.81637791675589 32.065 > 25 *26 S 0.44443335925086 0.75091145935270 0.59188253065302 32.065 > 26 *27 S 0.23947425580769 0.48640327699359 0.57069874541183 32.065 > 27 *28 S 0.45903643670391 0.65354566951327 0.76147384044709 32.065 > 28 29 S 0.70149323732624 0.50324081442415 0.68362208324411 32.065 > 29 *30 S 0.88890483751700 0.73359519547297 0.67329831197681 32.065 > 30 31 S 0.76052574419231 0.51359672300641 0.42930125458817 32.065 > 31 *32 S 0.70645009554530 0.98555691334375 0.68184607116596 32.065 > 32 *33 S 0.90404901344384 0.74324257640858 0.85697139260736 32.065 > 33 *34 S 0.25097627656043 0.53303827963684 0.09607318188412 32.065 > 34 35 S 0.76052574419231 0.98640327699359 0.92930125458817 32.065 > 35 36 S 0.70645009554530 0.51444308665625 0.18184607116596 32.065 > 36 37 S 0.29850676267376 0.49675918557585 0.31637791675589 32.065 > 37 38 S 0.74902372343957 0.46696172036316 0.90392681811588 32.065 > 38 39 S 0.11109516248300 0.26640480452703 0.32670168802319 32.065 > 39 40 S 0.54096356329609 0.34645433048673 0.23852615955291 32.065 > 40 41 S 0.29354990445470 0.01444308665625 0.31815392883404 32.065 > 41 42 S 0.29354990445470 0.48555691334375 0.81815392883404 32.065 > 42 43 S 0.54096356329609 0.15354566951327 0.73852615955291 32.065 > 43 44 S 0.25097627656043 0.96696172036316 0.59607318188412 32.065 > 44 45 S 0.74902372343957 0.03303827963684 0.40392681811588 32.065 > 45 46 S 0.45903643670391 0.84645433048673 0.26147384044709 32.065 > 46 47 S 0.55556664074914 0.25091145935270 0.90811746934698 32.065 > 47 48 S 0.11109516248300 0.23359519547297 0.82670168802319 32.065 > 48 49 S 0.44443335925086 0.74908854064730 0.09188253065302 32.065 > 49 50 S 0.90404901344384 0.75675742359142 0.35697139260736 32.065 > 50 51 S 0.70149323732624 0.99675918557585 0.18362208324411 32.065 > 51 52 S 0.09595098655616 0.24324257640858 0.64302860739264 32.065 > 52 53 S 0.23947425580769 0.01359672300641 0.07069874541183 32.065 > 53 54 S 0.88890483751700 0.76640480452703 0.17329831197681 32.065 > 54 55 S 0.09595098655616 0.25675742359142 0.14302860739264 32.065 > 55 56 S 0.55556664074914 0.24908854064730 0.40811746934698 32.065 > 56 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.201040803355362 0.000000000000000 0.000000000000000 b 0.000000000000000 13.735123140000001 0.000000000000000 c -12.614036392333352 0.000000000000000 15.155847987637149 Atomic positions (fractional): *1 Cs 0.84440280106159 0.13149027741476 0.11914297217341 132.905 > 1 2 Cs 0.84440280106159 0.63149027741476 0.11914297217341 132.905 > 1 *3 Cs 0.93283873780711 0.12970280823926 0.38453527081539 132.905 > 2 4 Cs 0.93283873780711 0.62970280823926 0.38453527081539 132.905 > 2 5 Cs 0.06716126219289 0.37970280823926 0.11546472918461 132.905 > 3 6 Cs 0.06716126219289 0.87970280823926 0.11546472918461 132.905 > 3 7 Cs 0.15559719893841 0.38149027741476 0.38085702782659 132.905 > 4 8 Cs 0.15559719893841 0.88149027741476 0.38085702782659 132.905 > 4 *9 Cs 0.58326358383954 0.37821541250119 0.97461600169040 132.905 > 5 10 Cs 0.58326358383954 0.87821541250119 0.97461600169040 132.905 > 5 11 Cs 0.06716126219289 0.37029719176074 0.61546472918461 132.905 > 6 12 Cs 0.06716126219289 0.87029719176074 0.61546472918461 132.905 > 6 13 Cs 0.41673641616046 0.12178458749881 0.02538399830960 132.905 > 7 14 Cs 0.41673641616046 0.62178458749881 0.02538399830960 132.905 > 7 15 Cs 0.84440280106159 0.11850972258524 0.61914297217341 132.905 > 8 16 Cs 0.84440280106159 0.61850972258524 0.61914297217341 132.905 > 8 17 Cs 0.41673641616046 0.12821541250119 0.52538399830960 132.905 > 9 18 Cs 0.41673641616046 0.62821541250119 0.52538399830960 132.905 > 9 19 Cs 0.58326358383954 0.37178458749881 0.47461600169040 132.905 > 10 20 Cs 0.58326358383954 0.87178458749881 0.47461600169040 132.905 > 10 21 Cs 0.93283873780711 0.12029719176075 0.88453527081539 132.905 > 11 22 Cs 0.93283873780711 0.62029719176075 0.88453527081539 132.905 > 11 23 Cs 0.15559719893841 0.36850972258524 0.88085702782659 132.905 > 12 24 Cs 0.15559719893841 0.86850972258524 0.88085702782659 132.905 > 12 *25 Sm 0.35139478372836 0.11770280238031 0.22934898258303 150.360 > 13 26 Sm 0.35139478372836 0.61770280238031 0.22934898258303 150.360 > 13 27 Sm 0.64860521627164 0.36770280238031 0.27065101741697 150.360 > 14 28 Sm 0.64860521627164 0.86770280238031 0.27065101741697 150.360 > 14 29 Sm 0.35139478372836 0.13229719761969 0.72934898258303 150.360 > 15 30 Sm 0.35139478372836 0.63229719761969 0.72934898258303 150.360 > 15 31 Sm 0.64860521627164 0.38229719761969 0.77065101741697 150.360 > 16 32 Sm 0.64860521627164 0.88229719761969 0.77065101741697 150.360 > 16 *33 P 0.19314516135017 0.13029312723805 0.27755884086471 30.974 > 17 34 P 0.19314516135017 0.63029312723805 0.27755884086471 30.974 > 17 *35 P 0.34690105010005 0.36091748363541 0.62922912987231 30.974 > 18 36 P 0.34690105010005 0.86091748363541 0.62922912987231 30.974 > 18 37 P 0.19314516135017 0.11970687276195 0.77755884086471 30.974 > 19 38 P 0.19314516135017 0.61970687276195 0.77755884086471 30.974 > 19 39 P 0.65309894989995 0.13908251636459 0.37077087012769 30.974 > 20 40 P 0.65309894989995 0.63908251636459 0.37077087012769 30.974 > 20 41 P 0.80685483864983 0.38029312723805 0.22244115913529 30.974 > 21 42 P 0.80685483864983 0.88029312723805 0.22244115913529 30.974 > 21 43 P 0.65309894989995 0.11091748363541 0.87077087012769 30.974 > 22 44 P 0.65309894989995 0.61091748363541 0.87077087012769 30.974 > 22 45 P 0.80685483864983 0.36970687276195 0.72244115913529 30.974 > 23 46 P 0.80685483864983 0.86970687276195 0.72244115913529 30.974 > 23 47 P 0.34690105010005 0.38908251636459 0.12922912987231 30.974 > 24 48 P 0.34690105010005 0.88908251636459 0.12922912987231 30.974 > 24 *49 S 0.29850676267376 0.00162040721207 0.81637791675589 32.065 > 25 50 S 0.29850676267376 0.50162040721207 0.81637791675589 32.065 > 25 *51 S 0.44443335925086 0.37545572967635 0.59188253065302 32.065 > 26 52 S 0.44443335925086 0.87545572967635 0.59188253065302 32.065 > 26 *53 S 0.23947425580769 0.24320163849679 0.57069874541183 32.065 > 27 54 S 0.23947425580769 0.74320163849679 0.57069874541183 32.065 > 27 *55 S 0.45903643670391 0.32677283475664 0.76147384044709 32.065 > 28 56 S 0.45903643670391 0.82677283475664 0.76147384044709 32.065 > 28 57 S 0.70149323732624 0.25162040721207 0.68362208324411 32.065 > 29 58 S 0.70149323732624 0.75162040721207 0.68362208324411 32.065 > 29 *59 S 0.88890483751700 0.36679759773648 0.67329831197681 32.065 > 30 60 S 0.88890483751700 0.86679759773648 0.67329831197681 32.065 > 30 61 S 0.76052574419231 0.25679836150321 0.42930125458817 32.065 > 31 62 S 0.76052574419231 0.75679836150321 0.42930125458817 32.065 > 31 *63 S 0.70645009554530 0.49277845667188 0.68184607116596 32.065 > 32 64 S 0.70645009554530 0.99277845667188 0.68184607116596 32.065 > 32 *65 S 0.90404901344384 0.37162128820429 0.85697139260736 32.065 > 33 66 S 0.90404901344384 0.87162128820429 0.85697139260736 32.065 > 33 *67 S 0.25097627656043 0.26651913981842 0.09607318188412 32.065 > 34 68 S 0.25097627656043 0.76651913981842 0.09607318188412 32.065 > 34 69 S 0.76052574419231 0.49320163849679 0.92930125458817 32.065 > 35 70 S 0.76052574419231 0.99320163849679 0.92930125458817 32.065 > 35 71 S 0.70645009554530 0.25722154332812 0.18184607116596 32.065 > 36 72 S 0.70645009554530 0.75722154332812 0.18184607116596 32.065 > 36 73 S 0.29850676267376 0.24837959278793 0.31637791675589 32.065 > 37 74 S 0.29850676267376 0.74837959278793 0.31637791675589 32.065 > 37 75 S 0.74902372343957 0.23348086018158 0.90392681811588 32.065 > 38 76 S 0.74902372343957 0.73348086018158 0.90392681811588 32.065 > 38 77 S 0.11109516248300 0.13320240226352 0.32670168802319 32.065 > 39 78 S 0.11109516248300 0.63320240226352 0.32670168802319 32.065 > 39 79 S 0.54096356329609 0.17322716524336 0.23852615955291 32.065 > 40 80 S 0.54096356329609 0.67322716524336 0.23852615955291 32.065 > 40 81 S 0.29354990445470 0.00722154332812 0.31815392883404 32.065 > 41 82 S 0.29354990445470 0.50722154332812 0.31815392883404 32.065 > 41 83 S 0.29354990445470 0.24277845667188 0.81815392883404 32.065 > 42 84 S 0.29354990445470 0.74277845667188 0.81815392883404 32.065 > 42 85 S 0.54096356329609 0.07677283475664 0.73852615955291 32.065 > 43 86 S 0.54096356329609 0.57677283475664 0.73852615955291 32.065 > 43 87 S 0.25097627656043 0.48348086018158 0.59607318188412 32.065 > 44 88 S 0.25097627656043 0.98348086018158 0.59607318188412 32.065 > 44 89 S 0.74902372343957 0.01651913981842 0.40392681811588 32.065 > 45 90 S 0.74902372343957 0.51651913981842 0.40392681811588 32.065 > 45 91 S 0.45903643670391 0.42322716524336 0.26147384044709 32.065 > 46 92 S 0.45903643670391 0.92322716524336 0.26147384044709 32.065 > 46 93 S 0.55556664074914 0.12545572967635 0.90811746934698 32.065 > 47 94 S 0.55556664074914 0.62545572967635 0.90811746934698 32.065 > 47 95 S 0.11109516248300 0.11679759773648 0.82670168802319 32.065 > 48 96 S 0.11109516248300 0.61679759773648 0.82670168802319 32.065 > 48 97 S 0.44443335925086 0.37454427032365 0.09188253065302 32.065 > 49 98 S 0.44443335925086 0.87454427032365 0.09188253065302 32.065 > 49 99 S 0.90404901344384 0.37837871179571 0.35697139260736 32.065 > 50 100 S 0.90404901344384 0.87837871179571 0.35697139260736 32.065 > 50 101 S 0.70149323732624 0.49837959278793 0.18362208324411 32.065 > 51 102 S 0.70149323732624 0.99837959278793 0.18362208324411 32.065 > 51 103 S 0.09595098655616 0.12162128820429 0.64302860739264 32.065 > 52 104 S 0.09595098655616 0.62162128820429 0.64302860739264 32.065 > 52 105 S 0.23947425580769 0.00679836150321 0.07069874541183 32.065 > 53 106 S 0.23947425580769 0.50679836150321 0.07069874541183 32.065 > 53 107 S 0.88890483751700 0.38320240226352 0.17329831197681 32.065 > 54 108 S 0.88890483751700 0.88320240226352 0.17329831197681 32.065 > 54 109 S 0.09595098655616 0.12837871179571 0.14302860739264 32.065 > 55 110 S 0.09595098655616 0.62837871179571 0.14302860739264 32.065 > 55 111 S 0.55556664074914 0.12454427032365 0.40811746934698 32.065 > 56 112 S 0.55556664074914 0.62454427032365 0.40811746934698 32.065 > 56 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5767105 0.0000000 -0.0668633 0.0000000 4.6458224 0.0000000 -0.0668627 0.0000000 3.9563234 -------------------------- Born effective charges -------------------------- 1 Cs 1.4082995 -0.0201048 0.0980385 -0.0243359 1.3392939 0.0318931 0.0462331 0.0443946 1.4598494 2 Cs 1.5730244 0.0562708 0.1615436 0.0442506 1.4922303 0.0165719 0.1789673 0.0213724 1.2917137 3 Cs 1.5730244 -0.0562708 0.1615436 -0.0442506 1.4922303 -0.0165719 0.1789673 -0.0213724 1.2917137 4 Cs 1.4082995 0.0201048 0.0980385 0.0243359 1.3392939 -0.0318931 0.0462331 -0.0443946 1.4598494 5 Cs 1.1092473 0.0133276 -0.2165514 0.0127571 1.3233058 -0.0149092 -0.1998206 -0.0036724 1.7356504 6 Cs 1.5730244 0.0562708 0.1615436 0.0442506 1.4922303 0.0165719 0.1789673 0.0213724 1.2917137 7 Cs 1.1092473 0.0133276 -0.2165514 0.0127571 1.3233058 -0.0149092 -0.1998206 -0.0036724 1.7356504 8 Cs 1.4082995 0.0201048 0.0980385 0.0243359 1.3392939 -0.0318931 0.0462331 -0.0443946 1.4598494 9 Cs 1.1092473 -0.0133276 -0.2165514 -0.0127571 1.3233058 0.0149092 -0.1998206 0.0036724 1.7356504 10 Cs 1.1092473 -0.0133276 -0.2165514 -0.0127571 1.3233058 0.0149092 -0.1998206 0.0036724 1.7356504 11 Cs 1.5730244 -0.0562708 0.1615436 -0.0442506 1.4922303 -0.0165719 0.1789673 -0.0213724 1.2917137 12 Cs 1.4082995 -0.0201048 0.0980385 -0.0243359 1.3392939 0.0318931 0.0462331 0.0443946 1.4598494 13 Sm 3.6281911 0.0006424 -0.2991413 -0.0012115 3.3975357 0.0919220 -0.1076191 0.2395392 2.1186457 14 Sm 3.6281911 -0.0006424 -0.2991413 0.0012115 3.3975357 -0.0919220 -0.1076191 -0.2395392 2.1186457 15 Sm 3.6281911 -0.0006424 -0.2991413 0.0012115 3.3975357 -0.0919220 -0.1076191 -0.2395392 2.1186457 16 Sm 3.6281911 0.0006424 -0.2991413 -0.0012115 3.3975357 0.0919220 -0.1076191 0.2395392 2.1186457 17 P 3.0756875 -0.0825633 -0.5384296 0.0112612 2.0301034 -0.0232128 -0.5536742 0.0349536 1.9712923 18 P 2.5419753 -0.0304385 0.2467651 -0.0414444 3.3588544 -0.5009631 0.1230486 -0.0465247 1.4852069 19 P 3.0756875 0.0825633 -0.5384296 -0.0112612 2.0301034 0.0232128 -0.5536742 -0.0349536 1.9712923 20 P 2.5419753 -0.0304385 0.2467651 -0.0414444 3.3588544 -0.5009631 0.1230486 -0.0465247 1.4852069 21 P 3.0756875 0.0825633 -0.5384296 -0.0112612 2.0301034 0.0232128 -0.5536742 -0.0349536 1.9712923 22 P 2.5419753 0.0304385 0.2467651 0.0414444 3.3588544 0.5009631 0.1230486 0.0465247 1.4852069 23 P 3.0756875 -0.0825633 -0.5384296 0.0112612 2.0301034 -0.0232128 -0.5536742 0.0349536 1.9712923 24 P 2.5419753 0.0304385 0.2467651 0.0414444 3.3588544 0.5009631 0.1230486 0.0465247 1.4852069 25 S -1.7185328 0.2258898 0.0824488 0.3510471 -1.8592234 0.4290533 0.0828561 0.3797284 -1.0578165 26 S -1.9348996 -0.1208044 0.0337628 -0.2370748 -1.0148423 -0.0339201 0.2379917 -0.0481339 -1.2865166 27 S -1.0978281 -0.4882602 -0.0826970 -0.5506524 -2.1752139 0.0574152 -0.1436508 -0.1272085 -1.2573247 28 S -1.3702000 -0.4247996 -0.1401466 -0.5383501 -1.4579507 0.2598015 -0.1285832 0.1200641 -1.3498358 29 S -1.7185328 -0.2258898 0.0824488 -0.3510471 -1.8592234 -0.4290533 0.0828561 -0.3797284 -1.0578165 30 S -2.6739586 0.0474335 0.5442882 0.0675442 -0.9416880 -0.0102538 0.5022735 -0.0152789 -1.1621592 31 S -1.0978281 -0.4882602 -0.0826970 -0.5506524 -2.1752139 0.0574152 -0.1436508 -0.1272085 -1.2573247 32 S -1.7785635 0.2221739 0.1444885 0.2493060 -1.8290854 0.4015179 0.1298432 0.3017056 -1.0470038 33 S -1.5756852 0.0111369 0.0299332 -0.0174252 -1.0219105 -0.0170058 0.0298213 -0.0044053 -1.9299748 34 S -1.1867572 -0.6534559 -0.0643027 -0.6941809 -2.6414092 0.1355944 -0.1976870 0.0405686 -0.9717270 35 S -1.0978281 0.4882602 -0.0826970 0.5506524 -2.1752139 -0.0574152 -0.1436508 0.1272085 -1.2573247 36 S -1.7785635 -0.2221739 0.1444885 -0.2493060 -1.8290854 -0.4015179 0.1298432 -0.3017056 -1.0470038 37 S -1.7185328 -0.2258898 0.0824488 -0.3510471 -1.8592234 -0.4290533 0.0828561 -0.3797284 -1.0578165 38 S -1.1867572 -0.6534559 -0.0643027 -0.6941809 -2.6414092 0.1355944 -0.1976870 0.0405686 -0.9717270 39 S -2.6739586 0.0474335 0.5442882 0.0675442 -0.9416880 -0.0102538 0.5022735 -0.0152789 -1.1621592 40 S -1.3702000 -0.4247996 -0.1401466 -0.5383501 -1.4579507 0.2598015 -0.1285832 0.1200641 -1.3498358 41 S -1.7785635 0.2221739 0.1444885 0.2493060 -1.8290854 0.4015179 0.1298432 0.3017056 -1.0470038 42 S -1.7785635 -0.2221739 0.1444885 -0.2493060 -1.8290854 -0.4015179 0.1298432 -0.3017056 -1.0470038 43 S -1.3702000 0.4247996 -0.1401466 0.5383501 -1.4579507 -0.2598015 -0.1285832 -0.1200641 -1.3498358 44 S -1.1867572 0.6534559 -0.0643027 0.6941809 -2.6414092 -0.1355944 -0.1976870 -0.0405686 -0.9717270 45 S -1.1867572 0.6534559 -0.0643027 0.6941809 -2.6414092 -0.1355944 -0.1976870 -0.0405686 -0.9717270 46 S -1.3702000 0.4247996 -0.1401466 0.5383501 -1.4579507 -0.2598015 -0.1285832 -0.1200641 -1.3498358 47 S -1.9348996 0.1208044 0.0337628 0.2370748 -1.0148423 0.0339201 0.2379917 0.0481339 -1.2865166 48 S -2.6739586 -0.0474335 0.5442882 -0.0675442 -0.9416880 0.0102538 0.5022735 0.0152789 -1.1621592 49 S -1.9348996 0.1208044 0.0337628 0.2370748 -1.0148423 0.0339201 0.2379917 0.0481339 -1.2865166 50 S -1.5756852 -0.0111369 0.0299332 0.0174252 -1.0219105 0.0170058 0.0298213 0.0044053 -1.9299748 51 S -1.7185328 0.2258898 0.0824488 0.3510471 -1.8592234 0.4290533 0.0828561 0.3797284 -1.0578165 52 S -1.5756852 -0.0111369 0.0299332 0.0174252 -1.0219105 0.0170058 0.0298213 0.0044053 -1.9299748 53 S -1.0978281 0.4882602 -0.0826970 0.5506524 -2.1752139 -0.0574152 -0.1436508 0.1272085 -1.2573247 54 S -2.6739586 -0.0474335 0.5442882 -0.0675442 -0.9416880 0.0102538 0.5022735 0.0152789 -1.1621592 55 S -1.5756852 0.0111369 0.0299332 -0.0174252 -1.0219105 -0.0170058 0.0298213 -0.0044053 -1.9299748 56 S -1.9348996 -0.1208044 0.0337628 -0.2370748 -1.0148423 -0.0339201 0.2379917 -0.0481339 -1.2865166 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 7182 Number of blocks in projector: 7182 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 223 eigenvectors found. (2) Block: 500 / 568 (2) 232 eigenvectors found. (2) Block: 568 / 568 (2) 59 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 541 eigenvectors found. (1) Complementary block size: 83 (1) Compute compressed projector. (1) Use standard solver. (1) 55 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 223 eigenvectors found. (2) Block: 500 / 568 (2) 232 eigenvectors found. (2) Block: 568 / 568 (2) 59 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 541 eigenvectors found. (1) Complementary block size: 83 (1) Compute compressed projector. (1) Use standard solver. (1) 55 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 233 eigenvectors found. (2) Block: 500 / 568 (2) 237 eigenvectors found. (2) Block: 568 / 568 (2) 63 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 551 eigenvectors found. (1) Complementary block size: 67 (1) Compute compressed projector. (1) Use standard solver. (1) 40 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. Tree of FC basis block matrices: - (7182, 7057), data: False |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (1568, 1541), data: False |-- (1568, 40), data: (1568, 67) @ (67, 40) |-- (568, 551), data: False |-- (568, 18), data: (568, 35) @ (35, 18) |-- (68, 63), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (1568, 1540), data: False |-- (1568, 55), data: (1568, 83) @ (83, 55) |-- (568, 541), data: False |-- (568, 27), data: (568, 54) @ (54, 27) |-- (68, 59), data: True |-- (250, 232), data: True |-- (250, 223), data: True |-- (500, 472), data: False |-- (500, 24), data: (500, 52) @ (52, 24) |-- (250, 226), data: True |-- (250, 222), data: True |-- (500, 472), data: False |-- (500, 22), data: (500, 50) @ (50, 22) |-- (250, 228), data: True |-- (250, 222), data: True |-- (1568, 1540), data: False |-- (1568, 55), data: (1568, 83) @ (83, 55) |-- (568, 541), data: False |-- (568, 27), data: (568, 54) @ (54, 27) |-- (68, 59), data: True |-- (250, 232), data: True |-- (250, 223), data: True |-- (500, 472), data: False |-- (500, 24), data: (500, 52) @ (52, 24) |-- (250, 226), data: True |-- (250, 222), data: True |-- (500, 472), data: False |-- (500, 22), data: (500, 50) @ (50, 22) |-- (250, 228), data: True |-- (250, 222), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1680 - Time: 1.936 Solver_block: 200 / 1680 - Time: 1.674 Solver_block: 300 / 1680 - Time: 1.663 Solver_block: 400 / 1680 - Time: 1.663 Solver_block: 500 / 1680 - Time: 1.665 Solver_block: 600 / 1680 - Time: 1.663 Solver_block: 700 / 1680 - Time: 1.666 Solver_block: 800 / 1680 - Time: 1.666 Solver_block: 900 / 1680 - Time: 1.663 Solver_block: 1000 / 1680 - Time: 1.665 Solver_block: 1100 / 1680 - Time: 1.666 Solver_block: 1200 / 1680 - Time: 1.664 Solver_block: 1300 / 1680 - Time: 1.668 Solver_block: 1400 / 1680 - Time: 1.665 Solver_block: 1500 / 1680 - Time: 1.668 Solver_block: 1600 / 1680 - Time: 1.668 Solver_block: 1680 / 1680 - Time: 1.387 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 29.133 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 7182 Number of blocks in projector: 7182 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 223 eigenvectors found. (2) Block: 500 / 568 (2) 232 eigenvectors found. (2) Block: 568 / 568 (2) 59 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 541 eigenvectors found. (1) Complementary block size: 83 (1) Compute compressed projector. (1) Use standard solver. (1) 55 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 223 eigenvectors found. (2) Block: 500 / 568 (2) 232 eigenvectors found. (2) Block: 568 / 568 (2) 59 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 541 eigenvectors found. (1) Complementary block size: 83 (1) Compute compressed projector. (1) Use standard solver. (1) 55 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 233 eigenvectors found. (2) Block: 500 / 568 (2) 237 eigenvectors found. (2) Block: 568 / 568 (2) 63 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 551 eigenvectors found. (1) Complementary block size: 67 (1) Compute compressed projector. (1) Use standard solver. (1) 40 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. Tree of FC basis block matrices: - (7182, 7057), data: False |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (1568, 1541), data: False |-- (1568, 40), data: (1568, 67) @ (67, 40) |-- (568, 551), data: False |-- (568, 18), data: (568, 35) @ (35, 18) |-- (68, 63), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (1568, 1540), data: False |-- (1568, 55), data: (1568, 83) @ (83, 55) |-- (568, 541), data: False |-- (568, 27), data: (568, 54) @ (54, 27) |-- (68, 59), data: True |-- (250, 232), data: True |-- (250, 223), data: True |-- (500, 472), data: False |-- (500, 24), data: (500, 52) @ (52, 24) |-- (250, 226), data: True |-- (250, 222), data: True |-- (500, 472), data: False |-- (500, 22), data: (500, 50) @ (50, 22) |-- (250, 228), data: True |-- (250, 222), data: True |-- (1568, 1540), data: False |-- (1568, 55), data: (1568, 83) @ (83, 55) |-- (568, 541), data: False |-- (568, 27), data: (568, 54) @ (54, 27) |-- (68, 59), data: True |-- (250, 232), data: True |-- (250, 223), data: True |-- (500, 472), data: False |-- (500, 24), data: (500, 52) @ (52, 24) |-- (250, 226), data: True |-- (250, 222), data: True |-- (500, 472), data: False |-- (500, 22), data: (500, 50) @ (50, 22) |-- (250, 228), data: True |-- (250, 222), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 19:39:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:39:01]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 15.201040803355362 0.000000000000000 0.000000000000000 b 0.000000000000000 6.867561570000000 0.000000000000000 c -12.614036392333352 0.000000000000000 15.155847987637149 Atomic positions (fractional): 1 Cs 0.84440280106159 0.26298055482953 0.11914297217341 132.905 2 Cs 0.93283873780711 0.25940561647851 0.38453527081539 132.905 3 Cs 0.06716126219289 0.75940561647851 0.11546472918461 132.905 4 Cs 0.15559719893841 0.76298055482953 0.38085702782659 132.905 5 Cs 0.58326358383954 0.75643082500238 0.97461600169040 132.905 6 Cs 0.06716126219289 0.74059438352149 0.61546472918461 132.905 7 Cs 0.41673641616046 0.24356917499762 0.02538399830960 132.905 8 Cs 0.84440280106159 0.23701944517047 0.61914297217341 132.905 9 Cs 0.41673641616046 0.25643082500238 0.52538399830960 132.905 10 Cs 0.58326358383954 0.74356917499762 0.47461600169040 132.905 11 Cs 0.93283873780711 0.24059438352149 0.88453527081539 132.905 12 Cs 0.15559719893841 0.73701944517047 0.88085702782659 132.905 13 Sm 0.35139478372836 0.23540560476061 0.22934898258303 150.360 14 Sm 0.64860521627164 0.73540560476061 0.27065101741697 150.360 15 Sm 0.35139478372836 0.26459439523939 0.72934898258303 150.360 16 Sm 0.64860521627164 0.76459439523939 0.77065101741697 150.360 17 P 0.19314516135017 0.26058625447611 0.27755884086471 30.974 18 P 0.34690105010005 0.72183496727082 0.62922912987231 30.974 19 P 0.19314516135017 0.23941374552389 0.77755884086471 30.974 20 P 0.65309894989995 0.27816503272918 0.37077087012769 30.974 21 P 0.80685483864983 0.76058625447611 0.22244115913529 30.974 22 P 0.65309894989995 0.22183496727082 0.87077087012769 30.974 23 P 0.80685483864983 0.73941374552389 0.72244115913529 30.974 24 P 0.34690105010005 0.77816503272918 0.12922912987231 30.974 25 S 0.29850676267376 0.00324081442415 0.81637791675589 32.065 26 S 0.44443335925086 0.75091145935270 0.59188253065302 32.065 27 S 0.23947425580769 0.48640327699359 0.57069874541183 32.065 28 S 0.45903643670391 0.65354566951327 0.76147384044709 32.065 29 S 0.70149323732624 0.50324081442415 0.68362208324411 32.065 30 S 0.88890483751700 0.73359519547297 0.67329831197681 32.065 31 S 0.76052574419231 0.51359672300641 0.42930125458817 32.065 32 S 0.70645009554530 0.98555691334375 0.68184607116596 32.065 33 S 0.90404901344384 0.74324257640858 0.85697139260736 32.065 34 S 0.25097627656043 0.53303827963684 0.09607318188412 32.065 35 S 0.76052574419231 0.98640327699359 0.92930125458817 32.065 36 S 0.70645009554530 0.51444308665625 0.18184607116596 32.065 37 S 0.29850676267376 0.49675918557585 0.31637791675589 32.065 38 S 0.74902372343957 0.46696172036316 0.90392681811588 32.065 39 S 0.11109516248300 0.26640480452703 0.32670168802319 32.065 40 S 0.54096356329609 0.34645433048673 0.23852615955291 32.065 41 S 0.29354990445470 0.01444308665625 0.31815392883404 32.065 42 S 0.29354990445470 0.48555691334375 0.81815392883404 32.065 43 S 0.54096356329609 0.15354566951327 0.73852615955291 32.065 44 S 0.25097627656043 0.96696172036316 0.59607318188412 32.065 45 S 0.74902372343957 0.03303827963684 0.40392681811588 32.065 46 S 0.45903643670391 0.84645433048673 0.26147384044709 32.065 47 S 0.55556664074914 0.25091145935270 0.90811746934698 32.065 48 S 0.11109516248300 0.23359519547297 0.82670168802319 32.065 49 S 0.44443335925086 0.74908854064730 0.09188253065302 32.065 50 S 0.90404901344384 0.75675742359142 0.35697139260736 32.065 51 S 0.70149323732624 0.99675918557585 0.18362208324411 32.065 52 S 0.09595098655616 0.24324257640858 0.64302860739264 32.065 53 S 0.23947425580769 0.01359672300641 0.07069874541183 32.065 54 S 0.88890483751700 0.76640480452703 0.17329831197681 32.065 55 S 0.09595098655616 0.25675742359142 0.14302860739264 32.065 56 S 0.55556664074914 0.24908854064730 0.40811746934698 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.201040803355362 0.000000000000000 0.000000000000000 b 0.000000000000000 13.735123140000001 0.000000000000000 c -12.614036392333352 0.000000000000000 15.155847987637149 Atomic positions (fractional): 1 Cs 0.84440280106159 0.13149027741476 0.11914297217341 132.905 > 1 2 Cs 0.84440280106159 0.63149027741476 0.11914297217341 132.905 > 1 3 Cs 0.93283873780711 0.12970280823926 0.38453527081539 132.905 > 3 4 Cs 0.93283873780711 0.62970280823926 0.38453527081539 132.905 > 3 5 Cs 0.06716126219289 0.37970280823926 0.11546472918461 132.905 > 5 6 Cs 0.06716126219289 0.87970280823926 0.11546472918461 132.905 > 5 7 Cs 0.15559719893841 0.38149027741476 0.38085702782659 132.905 > 7 8 Cs 0.15559719893841 0.88149027741476 0.38085702782659 132.905 > 7 9 Cs 0.58326358383954 0.37821541250119 0.97461600169040 132.905 > 9 10 Cs 0.58326358383954 0.87821541250119 0.97461600169040 132.905 > 9 11 Cs 0.06716126219289 0.37029719176074 0.61546472918461 132.905 > 11 12 Cs 0.06716126219289 0.87029719176074 0.61546472918461 132.905 > 11 13 Cs 0.41673641616046 0.12178458749881 0.02538399830960 132.905 > 13 14 Cs 0.41673641616046 0.62178458749881 0.02538399830960 132.905 > 13 15 Cs 0.84440280106159 0.11850972258524 0.61914297217341 132.905 > 15 16 Cs 0.84440280106159 0.61850972258524 0.61914297217341 132.905 > 15 17 Cs 0.41673641616046 0.12821541250119 0.52538399830960 132.905 > 17 18 Cs 0.41673641616046 0.62821541250119 0.52538399830960 132.905 > 17 19 Cs 0.58326358383954 0.37178458749881 0.47461600169040 132.905 > 19 20 Cs 0.58326358383954 0.87178458749881 0.47461600169040 132.905 > 19 21 Cs 0.93283873780711 0.12029719176075 0.88453527081539 132.905 > 21 22 Cs 0.93283873780711 0.62029719176075 0.88453527081539 132.905 > 21 23 Cs 0.15559719893841 0.36850972258524 0.88085702782659 132.905 > 23 24 Cs 0.15559719893841 0.86850972258524 0.88085702782659 132.905 > 23 25 Sm 0.35139478372836 0.11770280238031 0.22934898258303 150.360 > 25 26 Sm 0.35139478372836 0.61770280238031 0.22934898258303 150.360 > 25 27 Sm 0.64860521627164 0.36770280238031 0.27065101741697 150.360 > 27 28 Sm 0.64860521627164 0.86770280238031 0.27065101741697 150.360 > 27 29 Sm 0.35139478372836 0.13229719761969 0.72934898258303 150.360 > 29 30 Sm 0.35139478372836 0.63229719761969 0.72934898258303 150.360 > 29 31 Sm 0.64860521627164 0.38229719761969 0.77065101741697 150.360 > 31 32 Sm 0.64860521627164 0.88229719761969 0.77065101741697 150.360 > 31 33 P 0.19314516135017 0.13029312723805 0.27755884086471 30.974 > 33 34 P 0.19314516135017 0.63029312723805 0.27755884086471 30.974 > 33 35 P 0.34690105010005 0.36091748363541 0.62922912987231 30.974 > 35 36 P 0.34690105010005 0.86091748363541 0.62922912987231 30.974 > 35 37 P 0.19314516135017 0.11970687276195 0.77755884086471 30.974 > 37 38 P 0.19314516135017 0.61970687276195 0.77755884086471 30.974 > 37 39 P 0.65309894989995 0.13908251636459 0.37077087012769 30.974 > 39 40 P 0.65309894989995 0.63908251636459 0.37077087012769 30.974 > 39 41 P 0.80685483864983 0.38029312723805 0.22244115913529 30.974 > 41 42 P 0.80685483864983 0.88029312723805 0.22244115913529 30.974 > 41 43 P 0.65309894989995 0.11091748363541 0.87077087012769 30.974 > 43 44 P 0.65309894989995 0.61091748363541 0.87077087012769 30.974 > 43 45 P 0.80685483864983 0.36970687276195 0.72244115913529 30.974 > 45 46 P 0.80685483864983 0.86970687276195 0.72244115913529 30.974 > 45 47 P 0.34690105010005 0.38908251636459 0.12922912987231 30.974 > 47 48 P 0.34690105010005 0.88908251636459 0.12922912987231 30.974 > 47 49 S 0.29850676267376 0.00162040721207 0.81637791675589 32.065 > 49 50 S 0.29850676267376 0.50162040721207 0.81637791675589 32.065 > 49 51 S 0.44443335925086 0.37545572967635 0.59188253065302 32.065 > 51 52 S 0.44443335925086 0.87545572967635 0.59188253065302 32.065 > 51 53 S 0.23947425580769 0.24320163849679 0.57069874541183 32.065 > 53 54 S 0.23947425580769 0.74320163849679 0.57069874541183 32.065 > 53 55 S 0.45903643670391 0.32677283475664 0.76147384044709 32.065 > 55 56 S 0.45903643670391 0.82677283475664 0.76147384044709 32.065 > 55 57 S 0.70149323732624 0.25162040721207 0.68362208324411 32.065 > 57 58 S 0.70149323732624 0.75162040721207 0.68362208324411 32.065 > 57 59 S 0.88890483751700 0.36679759773648 0.67329831197681 32.065 > 59 60 S 0.88890483751700 0.86679759773648 0.67329831197681 32.065 > 59 61 S 0.76052574419231 0.25679836150321 0.42930125458817 32.065 > 61 62 S 0.76052574419231 0.75679836150321 0.42930125458817 32.065 > 61 63 S 0.70645009554530 0.49277845667188 0.68184607116596 32.065 > 63 64 S 0.70645009554530 0.99277845667188 0.68184607116596 32.065 > 63 65 S 0.90404901344384 0.37162128820429 0.85697139260736 32.065 > 65 66 S 0.90404901344384 0.87162128820429 0.85697139260736 32.065 > 65 67 S 0.25097627656043 0.26651913981842 0.09607318188412 32.065 > 67 68 S 0.25097627656043 0.76651913981842 0.09607318188412 32.065 > 67 69 S 0.76052574419231 0.49320163849679 0.92930125458817 32.065 > 69 70 S 0.76052574419231 0.99320163849679 0.92930125458817 32.065 > 69 71 S 0.70645009554530 0.25722154332812 0.18184607116596 32.065 > 71 72 S 0.70645009554530 0.75722154332812 0.18184607116596 32.065 > 71 73 S 0.29850676267376 0.24837959278793 0.31637791675589 32.065 > 73 74 S 0.29850676267376 0.74837959278793 0.31637791675589 32.065 > 73 75 S 0.74902372343957 0.23348086018158 0.90392681811588 32.065 > 75 76 S 0.74902372343957 0.73348086018158 0.90392681811588 32.065 > 75 77 S 0.11109516248300 0.13320240226352 0.32670168802319 32.065 > 77 78 S 0.11109516248300 0.63320240226352 0.32670168802319 32.065 > 77 79 S 0.54096356329609 0.17322716524336 0.23852615955291 32.065 > 79 80 S 0.54096356329609 0.67322716524336 0.23852615955291 32.065 > 79 81 S 0.29354990445470 0.00722154332812 0.31815392883404 32.065 > 81 82 S 0.29354990445470 0.50722154332812 0.31815392883404 32.065 > 81 83 S 0.29354990445470 0.24277845667188 0.81815392883404 32.065 > 83 84 S 0.29354990445470 0.74277845667188 0.81815392883404 32.065 > 83 85 S 0.54096356329609 0.07677283475664 0.73852615955291 32.065 > 85 86 S 0.54096356329609 0.57677283475664 0.73852615955291 32.065 > 85 87 S 0.25097627656043 0.48348086018158 0.59607318188412 32.065 > 87 88 S 0.25097627656043 0.98348086018158 0.59607318188412 32.065 > 87 89 S 0.74902372343957 0.01651913981842 0.40392681811588 32.065 > 89 90 S 0.74902372343957 0.51651913981842 0.40392681811588 32.065 > 89 91 S 0.45903643670391 0.42322716524336 0.26147384044709 32.065 > 91 92 S 0.45903643670391 0.92322716524336 0.26147384044709 32.065 > 91 93 S 0.55556664074914 0.12545572967635 0.90811746934698 32.065 > 93 94 S 0.55556664074914 0.62545572967635 0.90811746934698 32.065 > 93 95 S 0.11109516248300 0.11679759773648 0.82670168802319 32.065 > 95 96 S 0.11109516248300 0.61679759773648 0.82670168802319 32.065 > 95 97 S 0.44443335925086 0.37454427032365 0.09188253065302 32.065 > 97 98 S 0.44443335925086 0.87454427032365 0.09188253065302 32.065 > 97 99 S 0.90404901344384 0.37837871179571 0.35697139260736 32.065 > 99 100 S 0.90404901344384 0.87837871179571 0.35697139260736 32.065 > 99 101 S 0.70149323732624 0.49837959278793 0.18362208324411 32.065 > 101 102 S 0.70149323732624 0.99837959278793 0.18362208324411 32.065 > 101 103 S 0.09595098655616 0.12162128820429 0.64302860739264 32.065 > 103 104 S 0.09595098655616 0.62162128820429 0.64302860739264 32.065 > 103 105 S 0.23947425580769 0.00679836150321 0.07069874541183 32.065 > 105 106 S 0.23947425580769 0.50679836150321 0.07069874541183 32.065 > 105 107 S 0.88890483751700 0.38320240226352 0.17329831197681 32.065 > 107 108 S 0.88890483751700 0.88320240226352 0.17329831197681 32.065 > 107 109 S 0.09595098655616 0.12837871179571 0.14302860739264 32.065 > 109 110 S 0.09595098655616 0.62837871179571 0.14302860739264 32.065 > 109 111 S 0.55556664074914 0.12454427032365 0.40811746934698 32.065 > 111 112 S 0.55556664074914 0.62454427032365 0.40811746934698 32.065 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5767105 0.0000000 -0.0668633 0.0000000 4.6458224 0.0000000 -0.0668627 0.0000000 3.9563234 -------------------------- Born effective charges -------------------------- 1 Cs 1.4082995 -0.0201048 0.0980385 -0.0243359 1.3392939 0.0318931 0.0462331 0.0443946 1.4598494 2 Cs 1.5730244 0.0562708 0.1615436 0.0442506 1.4922303 0.0165719 0.1789673 0.0213724 1.2917137 3 Cs 1.5730244 -0.0562708 0.1615436 -0.0442506 1.4922303 -0.0165719 0.1789673 -0.0213724 1.2917137 4 Cs 1.4082995 0.0201048 0.0980385 0.0243359 1.3392939 -0.0318931 0.0462331 -0.0443946 1.4598494 5 Cs 1.1092473 0.0133276 -0.2165514 0.0127571 1.3233058 -0.0149092 -0.1998206 -0.0036724 1.7356504 6 Cs 1.5730244 0.0562708 0.1615436 0.0442506 1.4922303 0.0165719 0.1789673 0.0213724 1.2917137 7 Cs 1.1092473 0.0133276 -0.2165514 0.0127571 1.3233058 -0.0149092 -0.1998206 -0.0036724 1.7356504 8 Cs 1.4082995 0.0201048 0.0980385 0.0243359 1.3392939 -0.0318931 0.0462331 -0.0443946 1.4598494 9 Cs 1.1092473 -0.0133276 -0.2165514 -0.0127571 1.3233058 0.0149092 -0.1998206 0.0036724 1.7356504 10 Cs 1.1092473 -0.0133276 -0.2165514 -0.0127571 1.3233058 0.0149092 -0.1998206 0.0036724 1.7356504 11 Cs 1.5730244 -0.0562708 0.1615436 -0.0442506 1.4922303 -0.0165719 0.1789673 -0.0213724 1.2917137 12 Cs 1.4082995 -0.0201048 0.0980385 -0.0243359 1.3392939 0.0318931 0.0462331 0.0443946 1.4598494 13 Sm 3.6281911 0.0006424 -0.2991413 -0.0012115 3.3975357 0.0919220 -0.1076191 0.2395392 2.1186457 14 Sm 3.6281911 -0.0006424 -0.2991413 0.0012115 3.3975357 -0.0919220 -0.1076191 -0.2395392 2.1186457 15 Sm 3.6281911 -0.0006424 -0.2991413 0.0012115 3.3975357 -0.0919220 -0.1076191 -0.2395392 2.1186457 16 Sm 3.6281911 0.0006424 -0.2991413 -0.0012115 3.3975357 0.0919220 -0.1076191 0.2395392 2.1186457 17 P 3.0756875 -0.0825633 -0.5384296 0.0112612 2.0301034 -0.0232128 -0.5536742 0.0349536 1.9712923 18 P 2.5419753 -0.0304385 0.2467651 -0.0414444 3.3588544 -0.5009631 0.1230486 -0.0465247 1.4852069 19 P 3.0756875 0.0825633 -0.5384296 -0.0112612 2.0301034 0.0232128 -0.5536742 -0.0349536 1.9712923 20 P 2.5419753 -0.0304385 0.2467651 -0.0414444 3.3588544 -0.5009631 0.1230486 -0.0465247 1.4852069 21 P 3.0756875 0.0825633 -0.5384296 -0.0112612 2.0301034 0.0232128 -0.5536742 -0.0349536 1.9712923 22 P 2.5419753 0.0304385 0.2467651 0.0414444 3.3588544 0.5009631 0.1230486 0.0465247 1.4852069 23 P 3.0756875 -0.0825633 -0.5384296 0.0112612 2.0301034 -0.0232128 -0.5536742 0.0349536 1.9712923 24 P 2.5419753 0.0304385 0.2467651 0.0414444 3.3588544 0.5009631 0.1230486 0.0465247 1.4852069 25 S -1.7185328 0.2258898 0.0824488 0.3510471 -1.8592234 0.4290533 0.0828561 0.3797284 -1.0578165 26 S -1.9348996 -0.1208044 0.0337628 -0.2370748 -1.0148423 -0.0339201 0.2379917 -0.0481339 -1.2865166 27 S -1.0978281 -0.4882602 -0.0826970 -0.5506524 -2.1752139 0.0574152 -0.1436508 -0.1272085 -1.2573247 28 S -1.3702000 -0.4247996 -0.1401466 -0.5383501 -1.4579507 0.2598015 -0.1285832 0.1200641 -1.3498358 29 S -1.7185328 -0.2258898 0.0824488 -0.3510471 -1.8592234 -0.4290533 0.0828561 -0.3797284 -1.0578165 30 S -2.6739586 0.0474335 0.5442882 0.0675442 -0.9416880 -0.0102538 0.5022735 -0.0152789 -1.1621592 31 S -1.0978281 -0.4882602 -0.0826970 -0.5506524 -2.1752139 0.0574152 -0.1436508 -0.1272085 -1.2573247 32 S -1.7785635 0.2221739 0.1444885 0.2493060 -1.8290854 0.4015179 0.1298432 0.3017056 -1.0470038 33 S -1.5756852 0.0111369 0.0299332 -0.0174252 -1.0219105 -0.0170058 0.0298213 -0.0044053 -1.9299748 34 S -1.1867572 -0.6534559 -0.0643027 -0.6941809 -2.6414092 0.1355944 -0.1976870 0.0405686 -0.9717270 35 S -1.0978281 0.4882602 -0.0826970 0.5506524 -2.1752139 -0.0574152 -0.1436508 0.1272085 -1.2573247 36 S -1.7785635 -0.2221739 0.1444885 -0.2493060 -1.8290854 -0.4015179 0.1298432 -0.3017056 -1.0470038 37 S -1.7185328 -0.2258898 0.0824488 -0.3510471 -1.8592234 -0.4290533 0.0828561 -0.3797284 -1.0578165 38 S -1.1867572 -0.6534559 -0.0643027 -0.6941809 -2.6414092 0.1355944 -0.1976870 0.0405686 -0.9717270 39 S -2.6739586 0.0474335 0.5442882 0.0675442 -0.9416880 -0.0102538 0.5022735 -0.0152789 -1.1621592 40 S -1.3702000 -0.4247996 -0.1401466 -0.5383501 -1.4579507 0.2598015 -0.1285832 0.1200641 -1.3498358 41 S -1.7785635 0.2221739 0.1444885 0.2493060 -1.8290854 0.4015179 0.1298432 0.3017056 -1.0470038 42 S -1.7785635 -0.2221739 0.1444885 -0.2493060 -1.8290854 -0.4015179 0.1298432 -0.3017056 -1.0470038 43 S -1.3702000 0.4247996 -0.1401466 0.5383501 -1.4579507 -0.2598015 -0.1285832 -0.1200641 -1.3498358 44 S -1.1867572 0.6534559 -0.0643027 0.6941809 -2.6414092 -0.1355944 -0.1976870 -0.0405686 -0.9717270 45 S -1.1867572 0.6534559 -0.0643027 0.6941809 -2.6414092 -0.1355944 -0.1976870 -0.0405686 -0.9717270 46 S -1.3702000 0.4247996 -0.1401466 0.5383501 -1.4579507 -0.2598015 -0.1285832 -0.1200641 -1.3498358 47 S -1.9348996 0.1208044 0.0337628 0.2370748 -1.0148423 0.0339201 0.2379917 0.0481339 -1.2865166 48 S -2.6739586 -0.0474335 0.5442882 -0.0675442 -0.9416880 0.0102538 0.5022735 0.0152789 -1.1621592 49 S -1.9348996 0.1208044 0.0337628 0.2370748 -1.0148423 0.0339201 0.2379917 0.0481339 -1.2865166 50 S -1.5756852 -0.0111369 0.0299332 0.0174252 -1.0219105 0.0170058 0.0298213 0.0044053 -1.9299748 51 S -1.7185328 0.2258898 0.0824488 0.3510471 -1.8592234 0.4290533 0.0828561 0.3797284 -1.0578165 52 S -1.5756852 -0.0111369 0.0299332 0.0174252 -1.0219105 0.0170058 0.0298213 0.0044053 -1.9299748 53 S -1.0978281 0.4882602 -0.0826970 0.5506524 -2.1752139 -0.0574152 -0.1436508 0.1272085 -1.2573247 54 S -2.6739586 -0.0474335 0.5442882 -0.0675442 -0.9416880 0.0102538 0.5022735 0.0152789 -1.1621592 55 S -1.5756852 0.0111369 0.0299332 -0.0174252 -1.0219105 -0.0170058 0.0298213 -0.0044053 -1.9299748 56 S -1.9348996 -0.1208044 0.0337628 -0.2370748 -1.0148423 -0.0339201 0.2379917 -0.0481339 -1.2865166 ---------------------------------------------------------------------------- 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] [-0.0064 0.0000 0.0077] [ 0.0064 0.0000 -0.0077] Computing fc3[ 3, 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] [-0.0064 0.0000 0.0077] [ 0.0064 0.0000 -0.0077] 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] [-0.0064 0.0000 0.0077] [ 0.0064 0.0000 -0.0077] Computing fc3[ 25, 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] [-0.0064 0.0000 0.0077] [ 0.0064 0.0000 -0.0077] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0064 0.0000 0.0077] [ 0.0064 0.0000 -0.0077] Computing fc3[ 35, 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] [-0.0064 0.0000 0.0077] [ 0.0064 0.0000 -0.0077] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0064 0.0000 0.0077] [ 0.0064 0.0000 -0.0077] 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] [-0.0064 0.0000 0.0077] [ 0.0064 0.0000 -0.0077] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0064 0.0000 0.0077] [ 0.0064 0.0000 -0.0077] 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 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0064 0.0000 0.0077] [ 0.0064 0.0000 -0.0077] Computing fc3[ 59, 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] [-0.0064 0.0000 0.0077] [ 0.0064 0.0000 -0.0077] Computing fc3[ 63, 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] [-0.0064 0.0000 0.0077] [ 0.0064 0.0000 -0.0077] 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] [-0.0064 0.0000 0.0077] [ 0.0064 0.0000 -0.0077] Computing fc3[ 67, 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] [-0.0064 0.0000 0.0077] [ 0.0064 0.0000 -0.0077] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 19:40:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:40:06]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 15.201040803355362 0.000000000000000 0.000000000000000 b 0.000000000000000 6.867561570000000 0.000000000000000 c -12.614036392333352 0.000000000000000 15.155847987637149 Atomic positions (fractional): 1 Cs 0.84440280106159 0.26298055482953 0.11914297217341 132.905 2 Cs 0.93283873780711 0.25940561647851 0.38453527081539 132.905 3 Cs 0.06716126219289 0.75940561647851 0.11546472918461 132.905 4 Cs 0.15559719893841 0.76298055482953 0.38085702782659 132.905 5 Cs 0.58326358383954 0.75643082500238 0.97461600169040 132.905 6 Cs 0.06716126219289 0.74059438352149 0.61546472918461 132.905 7 Cs 0.41673641616046 0.24356917499762 0.02538399830960 132.905 8 Cs 0.84440280106159 0.23701944517047 0.61914297217341 132.905 9 Cs 0.41673641616046 0.25643082500238 0.52538399830960 132.905 10 Cs 0.58326358383954 0.74356917499762 0.47461600169040 132.905 11 Cs 0.93283873780711 0.24059438352149 0.88453527081539 132.905 12 Cs 0.15559719893841 0.73701944517047 0.88085702782659 132.905 13 Sm 0.35139478372836 0.23540560476061 0.22934898258303 150.360 14 Sm 0.64860521627164 0.73540560476061 0.27065101741697 150.360 15 Sm 0.35139478372836 0.26459439523939 0.72934898258303 150.360 16 Sm 0.64860521627164 0.76459439523939 0.77065101741697 150.360 17 P 0.19314516135017 0.26058625447611 0.27755884086471 30.974 18 P 0.34690105010005 0.72183496727082 0.62922912987231 30.974 19 P 0.19314516135017 0.23941374552389 0.77755884086471 30.974 20 P 0.65309894989995 0.27816503272918 0.37077087012769 30.974 21 P 0.80685483864983 0.76058625447611 0.22244115913529 30.974 22 P 0.65309894989995 0.22183496727082 0.87077087012769 30.974 23 P 0.80685483864983 0.73941374552389 0.72244115913529 30.974 24 P 0.34690105010005 0.77816503272918 0.12922912987231 30.974 25 S 0.29850676267376 0.00324081442415 0.81637791675589 32.065 26 S 0.44443335925086 0.75091145935270 0.59188253065302 32.065 27 S 0.23947425580769 0.48640327699359 0.57069874541183 32.065 28 S 0.45903643670391 0.65354566951327 0.76147384044709 32.065 29 S 0.70149323732624 0.50324081442415 0.68362208324411 32.065 30 S 0.88890483751700 0.73359519547297 0.67329831197681 32.065 31 S 0.76052574419231 0.51359672300641 0.42930125458817 32.065 32 S 0.70645009554530 0.98555691334375 0.68184607116596 32.065 33 S 0.90404901344384 0.74324257640858 0.85697139260736 32.065 34 S 0.25097627656043 0.53303827963684 0.09607318188412 32.065 35 S 0.76052574419231 0.98640327699359 0.92930125458817 32.065 36 S 0.70645009554530 0.51444308665625 0.18184607116596 32.065 37 S 0.29850676267376 0.49675918557585 0.31637791675589 32.065 38 S 0.74902372343957 0.46696172036316 0.90392681811588 32.065 39 S 0.11109516248300 0.26640480452703 0.32670168802319 32.065 40 S 0.54096356329609 0.34645433048673 0.23852615955291 32.065 41 S 0.29354990445470 0.01444308665625 0.31815392883404 32.065 42 S 0.29354990445470 0.48555691334375 0.81815392883404 32.065 43 S 0.54096356329609 0.15354566951327 0.73852615955291 32.065 44 S 0.25097627656043 0.96696172036316 0.59607318188412 32.065 45 S 0.74902372343957 0.03303827963684 0.40392681811588 32.065 46 S 0.45903643670391 0.84645433048673 0.26147384044709 32.065 47 S 0.55556664074914 0.25091145935270 0.90811746934698 32.065 48 S 0.11109516248300 0.23359519547297 0.82670168802319 32.065 49 S 0.44443335925086 0.74908854064730 0.09188253065302 32.065 50 S 0.90404901344384 0.75675742359142 0.35697139260736 32.065 51 S 0.70149323732624 0.99675918557585 0.18362208324411 32.065 52 S 0.09595098655616 0.24324257640858 0.64302860739264 32.065 53 S 0.23947425580769 0.01359672300641 0.07069874541183 32.065 54 S 0.88890483751700 0.76640480452703 0.17329831197681 32.065 55 S 0.09595098655616 0.25675742359142 0.14302860739264 32.065 56 S 0.55556664074914 0.24908854064730 0.40811746934698 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.201040803355362 0.000000000000000 0.000000000000000 b 0.000000000000000 13.735123140000001 0.000000000000000 c -12.614036392333352 0.000000000000000 15.155847987637149 Atomic positions (fractional): 1 Cs 0.84440280106159 0.13149027741476 0.11914297217341 132.905 > 1 2 Cs 0.84440280106159 0.63149027741476 0.11914297217341 132.905 > 1 3 Cs 0.93283873780711 0.12970280823926 0.38453527081539 132.905 > 3 4 Cs 0.93283873780711 0.62970280823926 0.38453527081539 132.905 > 3 5 Cs 0.06716126219289 0.37970280823926 0.11546472918461 132.905 > 5 6 Cs 0.06716126219289 0.87970280823926 0.11546472918461 132.905 > 5 7 Cs 0.15559719893841 0.38149027741476 0.38085702782659 132.905 > 7 8 Cs 0.15559719893841 0.88149027741476 0.38085702782659 132.905 > 7 9 Cs 0.58326358383954 0.37821541250119 0.97461600169040 132.905 > 9 10 Cs 0.58326358383954 0.87821541250119 0.97461600169040 132.905 > 9 11 Cs 0.06716126219289 0.37029719176074 0.61546472918461 132.905 > 11 12 Cs 0.06716126219289 0.87029719176074 0.61546472918461 132.905 > 11 13 Cs 0.41673641616046 0.12178458749881 0.02538399830960 132.905 > 13 14 Cs 0.41673641616046 0.62178458749881 0.02538399830960 132.905 > 13 15 Cs 0.84440280106159 0.11850972258524 0.61914297217341 132.905 > 15 16 Cs 0.84440280106159 0.61850972258524 0.61914297217341 132.905 > 15 17 Cs 0.41673641616046 0.12821541250119 0.52538399830960 132.905 > 17 18 Cs 0.41673641616046 0.62821541250119 0.52538399830960 132.905 > 17 19 Cs 0.58326358383954 0.37178458749881 0.47461600169040 132.905 > 19 20 Cs 0.58326358383954 0.87178458749881 0.47461600169040 132.905 > 19 21 Cs 0.93283873780711 0.12029719176075 0.88453527081539 132.905 > 21 22 Cs 0.93283873780711 0.62029719176075 0.88453527081539 132.905 > 21 23 Cs 0.15559719893841 0.36850972258524 0.88085702782659 132.905 > 23 24 Cs 0.15559719893841 0.86850972258524 0.88085702782659 132.905 > 23 25 Sm 0.35139478372836 0.11770280238031 0.22934898258303 150.360 > 25 26 Sm 0.35139478372836 0.61770280238031 0.22934898258303 150.360 > 25 27 Sm 0.64860521627164 0.36770280238031 0.27065101741697 150.360 > 27 28 Sm 0.64860521627164 0.86770280238031 0.27065101741697 150.360 > 27 29 Sm 0.35139478372836 0.13229719761969 0.72934898258303 150.360 > 29 30 Sm 0.35139478372836 0.63229719761969 0.72934898258303 150.360 > 29 31 Sm 0.64860521627164 0.38229719761969 0.77065101741697 150.360 > 31 32 Sm 0.64860521627164 0.88229719761969 0.77065101741697 150.360 > 31 33 P 0.19314516135017 0.13029312723805 0.27755884086471 30.974 > 33 34 P 0.19314516135017 0.63029312723805 0.27755884086471 30.974 > 33 35 P 0.34690105010005 0.36091748363541 0.62922912987231 30.974 > 35 36 P 0.34690105010005 0.86091748363541 0.62922912987231 30.974 > 35 37 P 0.19314516135017 0.11970687276195 0.77755884086471 30.974 > 37 38 P 0.19314516135017 0.61970687276195 0.77755884086471 30.974 > 37 39 P 0.65309894989995 0.13908251636459 0.37077087012769 30.974 > 39 40 P 0.65309894989995 0.63908251636459 0.37077087012769 30.974 > 39 41 P 0.80685483864983 0.38029312723805 0.22244115913529 30.974 > 41 42 P 0.80685483864983 0.88029312723805 0.22244115913529 30.974 > 41 43 P 0.65309894989995 0.11091748363541 0.87077087012769 30.974 > 43 44 P 0.65309894989995 0.61091748363541 0.87077087012769 30.974 > 43 45 P 0.80685483864983 0.36970687276195 0.72244115913529 30.974 > 45 46 P 0.80685483864983 0.86970687276195 0.72244115913529 30.974 > 45 47 P 0.34690105010005 0.38908251636459 0.12922912987231 30.974 > 47 48 P 0.34690105010005 0.88908251636459 0.12922912987231 30.974 > 47 49 S 0.29850676267376 0.00162040721207 0.81637791675589 32.065 > 49 50 S 0.29850676267376 0.50162040721207 0.81637791675589 32.065 > 49 51 S 0.44443335925086 0.37545572967635 0.59188253065302 32.065 > 51 52 S 0.44443335925086 0.87545572967635 0.59188253065302 32.065 > 51 53 S 0.23947425580769 0.24320163849679 0.57069874541183 32.065 > 53 54 S 0.23947425580769 0.74320163849679 0.57069874541183 32.065 > 53 55 S 0.45903643670391 0.32677283475664 0.76147384044709 32.065 > 55 56 S 0.45903643670391 0.82677283475664 0.76147384044709 32.065 > 55 57 S 0.70149323732624 0.25162040721207 0.68362208324411 32.065 > 57 58 S 0.70149323732624 0.75162040721207 0.68362208324411 32.065 > 57 59 S 0.88890483751700 0.36679759773648 0.67329831197681 32.065 > 59 60 S 0.88890483751700 0.86679759773648 0.67329831197681 32.065 > 59 61 S 0.76052574419231 0.25679836150321 0.42930125458817 32.065 > 61 62 S 0.76052574419231 0.75679836150321 0.42930125458817 32.065 > 61 63 S 0.70645009554530 0.49277845667188 0.68184607116596 32.065 > 63 64 S 0.70645009554530 0.99277845667188 0.68184607116596 32.065 > 63 65 S 0.90404901344384 0.37162128820429 0.85697139260736 32.065 > 65 66 S 0.90404901344384 0.87162128820429 0.85697139260736 32.065 > 65 67 S 0.25097627656043 0.26651913981842 0.09607318188412 32.065 > 67 68 S 0.25097627656043 0.76651913981842 0.09607318188412 32.065 > 67 69 S 0.76052574419231 0.49320163849679 0.92930125458817 32.065 > 69 70 S 0.76052574419231 0.99320163849679 0.92930125458817 32.065 > 69 71 S 0.70645009554530 0.25722154332812 0.18184607116596 32.065 > 71 72 S 0.70645009554530 0.75722154332812 0.18184607116596 32.065 > 71 73 S 0.29850676267376 0.24837959278793 0.31637791675589 32.065 > 73 74 S 0.29850676267376 0.74837959278793 0.31637791675589 32.065 > 73 75 S 0.74902372343957 0.23348086018158 0.90392681811588 32.065 > 75 76 S 0.74902372343957 0.73348086018158 0.90392681811588 32.065 > 75 77 S 0.11109516248300 0.13320240226352 0.32670168802319 32.065 > 77 78 S 0.11109516248300 0.63320240226352 0.32670168802319 32.065 > 77 79 S 0.54096356329609 0.17322716524336 0.23852615955291 32.065 > 79 80 S 0.54096356329609 0.67322716524336 0.23852615955291 32.065 > 79 81 S 0.29354990445470 0.00722154332812 0.31815392883404 32.065 > 81 82 S 0.29354990445470 0.50722154332812 0.31815392883404 32.065 > 81 83 S 0.29354990445470 0.24277845667188 0.81815392883404 32.065 > 83 84 S 0.29354990445470 0.74277845667188 0.81815392883404 32.065 > 83 85 S 0.54096356329609 0.07677283475664 0.73852615955291 32.065 > 85 86 S 0.54096356329609 0.57677283475664 0.73852615955291 32.065 > 85 87 S 0.25097627656043 0.48348086018158 0.59607318188412 32.065 > 87 88 S 0.25097627656043 0.98348086018158 0.59607318188412 32.065 > 87 89 S 0.74902372343957 0.01651913981842 0.40392681811588 32.065 > 89 90 S 0.74902372343957 0.51651913981842 0.40392681811588 32.065 > 89 91 S 0.45903643670391 0.42322716524336 0.26147384044709 32.065 > 91 92 S 0.45903643670391 0.92322716524336 0.26147384044709 32.065 > 91 93 S 0.55556664074914 0.12545572967635 0.90811746934698 32.065 > 93 94 S 0.55556664074914 0.62545572967635 0.90811746934698 32.065 > 93 95 S 0.11109516248300 0.11679759773648 0.82670168802319 32.065 > 95 96 S 0.11109516248300 0.61679759773648 0.82670168802319 32.065 > 95 97 S 0.44443335925086 0.37454427032365 0.09188253065302 32.065 > 97 98 S 0.44443335925086 0.87454427032365 0.09188253065302 32.065 > 97 99 S 0.90404901344384 0.37837871179571 0.35697139260736 32.065 > 99 100 S 0.90404901344384 0.87837871179571 0.35697139260736 32.065 > 99 101 S 0.70149323732624 0.49837959278793 0.18362208324411 32.065 > 101 102 S 0.70149323732624 0.99837959278793 0.18362208324411 32.065 > 101 103 S 0.09595098655616 0.12162128820429 0.64302860739264 32.065 > 103 104 S 0.09595098655616 0.62162128820429 0.64302860739264 32.065 > 103 105 S 0.23947425580769 0.00679836150321 0.07069874541183 32.065 > 105 106 S 0.23947425580769 0.50679836150321 0.07069874541183 32.065 > 105 107 S 0.88890483751700 0.38320240226352 0.17329831197681 32.065 > 107 108 S 0.88890483751700 0.88320240226352 0.17329831197681 32.065 > 107 109 S 0.09595098655616 0.12837871179571 0.14302860739264 32.065 > 109 110 S 0.09595098655616 0.62837871179571 0.14302860739264 32.065 > 109 111 S 0.55556664074914 0.12454427032365 0.40811746934698 32.065 > 111 112 S 0.55556664074914 0.62454427032365 0.40811746934698 32.065 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.5767105 0.0000000 -0.0668633 0.0000000 4.6458224 0.0000000 -0.0668627 0.0000000 3.9563234 -------------------------- Born effective charges -------------------------- 1 Cs 1.4082995 -0.0201048 0.0980385 -0.0243359 1.3392939 0.0318931 0.0462331 0.0443946 1.4598494 2 Cs 1.5730244 0.0562708 0.1615436 0.0442506 1.4922303 0.0165719 0.1789673 0.0213724 1.2917137 3 Cs 1.5730244 -0.0562708 0.1615436 -0.0442506 1.4922303 -0.0165719 0.1789673 -0.0213724 1.2917137 4 Cs 1.4082995 0.0201048 0.0980385 0.0243359 1.3392939 -0.0318931 0.0462331 -0.0443946 1.4598494 5 Cs 1.1092473 0.0133276 -0.2165514 0.0127571 1.3233058 -0.0149092 -0.1998206 -0.0036724 1.7356504 6 Cs 1.5730244 0.0562708 0.1615436 0.0442506 1.4922303 0.0165719 0.1789673 0.0213724 1.2917137 7 Cs 1.1092473 0.0133276 -0.2165514 0.0127571 1.3233058 -0.0149092 -0.1998206 -0.0036724 1.7356504 8 Cs 1.4082995 0.0201048 0.0980385 0.0243359 1.3392939 -0.0318931 0.0462331 -0.0443946 1.4598494 9 Cs 1.1092473 -0.0133276 -0.2165514 -0.0127571 1.3233058 0.0149092 -0.1998206 0.0036724 1.7356504 10 Cs 1.1092473 -0.0133276 -0.2165514 -0.0127571 1.3233058 0.0149092 -0.1998206 0.0036724 1.7356504 11 Cs 1.5730244 -0.0562708 0.1615436 -0.0442506 1.4922303 -0.0165719 0.1789673 -0.0213724 1.2917137 12 Cs 1.4082995 -0.0201048 0.0980385 -0.0243359 1.3392939 0.0318931 0.0462331 0.0443946 1.4598494 13 Sm 3.6281911 0.0006424 -0.2991413 -0.0012115 3.3975357 0.0919220 -0.1076191 0.2395392 2.1186457 14 Sm 3.6281911 -0.0006424 -0.2991413 0.0012115 3.3975357 -0.0919220 -0.1076191 -0.2395392 2.1186457 15 Sm 3.6281911 -0.0006424 -0.2991413 0.0012115 3.3975357 -0.0919220 -0.1076191 -0.2395392 2.1186457 16 Sm 3.6281911 0.0006424 -0.2991413 -0.0012115 3.3975357 0.0919220 -0.1076191 0.2395392 2.1186457 17 P 3.0756875 -0.0825633 -0.5384296 0.0112612 2.0301034 -0.0232128 -0.5536742 0.0349536 1.9712923 18 P 2.5419753 -0.0304385 0.2467651 -0.0414444 3.3588544 -0.5009631 0.1230486 -0.0465247 1.4852069 19 P 3.0756875 0.0825633 -0.5384296 -0.0112612 2.0301034 0.0232128 -0.5536742 -0.0349536 1.9712923 20 P 2.5419753 -0.0304385 0.2467651 -0.0414444 3.3588544 -0.5009631 0.1230486 -0.0465247 1.4852069 21 P 3.0756875 0.0825633 -0.5384296 -0.0112612 2.0301034 0.0232128 -0.5536742 -0.0349536 1.9712923 22 P 2.5419753 0.0304385 0.2467651 0.0414444 3.3588544 0.5009631 0.1230486 0.0465247 1.4852069 23 P 3.0756875 -0.0825633 -0.5384296 0.0112612 2.0301034 -0.0232128 -0.5536742 0.0349536 1.9712923 24 P 2.5419753 0.0304385 0.2467651 0.0414444 3.3588544 0.5009631 0.1230486 0.0465247 1.4852069 25 S -1.7185328 0.2258898 0.0824488 0.3510471 -1.8592234 0.4290533 0.0828561 0.3797284 -1.0578165 26 S -1.9348996 -0.1208044 0.0337628 -0.2370748 -1.0148423 -0.0339201 0.2379917 -0.0481339 -1.2865166 27 S -1.0978281 -0.4882602 -0.0826970 -0.5506524 -2.1752139 0.0574152 -0.1436508 -0.1272085 -1.2573247 28 S -1.3702000 -0.4247996 -0.1401466 -0.5383501 -1.4579507 0.2598015 -0.1285832 0.1200641 -1.3498358 29 S -1.7185328 -0.2258898 0.0824488 -0.3510471 -1.8592234 -0.4290533 0.0828561 -0.3797284 -1.0578165 30 S -2.6739586 0.0474335 0.5442882 0.0675442 -0.9416880 -0.0102538 0.5022735 -0.0152789 -1.1621592 31 S -1.0978281 -0.4882602 -0.0826970 -0.5506524 -2.1752139 0.0574152 -0.1436508 -0.1272085 -1.2573247 32 S -1.7785635 0.2221739 0.1444885 0.2493060 -1.8290854 0.4015179 0.1298432 0.3017056 -1.0470038 33 S -1.5756852 0.0111369 0.0299332 -0.0174252 -1.0219105 -0.0170058 0.0298213 -0.0044053 -1.9299748 34 S -1.1867572 -0.6534559 -0.0643027 -0.6941809 -2.6414092 0.1355944 -0.1976870 0.0405686 -0.9717270 35 S -1.0978281 0.4882602 -0.0826970 0.5506524 -2.1752139 -0.0574152 -0.1436508 0.1272085 -1.2573247 36 S -1.7785635 -0.2221739 0.1444885 -0.2493060 -1.8290854 -0.4015179 0.1298432 -0.3017056 -1.0470038 37 S -1.7185328 -0.2258898 0.0824488 -0.3510471 -1.8592234 -0.4290533 0.0828561 -0.3797284 -1.0578165 38 S -1.1867572 -0.6534559 -0.0643027 -0.6941809 -2.6414092 0.1355944 -0.1976870 0.0405686 -0.9717270 39 S -2.6739586 0.0474335 0.5442882 0.0675442 -0.9416880 -0.0102538 0.5022735 -0.0152789 -1.1621592 40 S -1.3702000 -0.4247996 -0.1401466 -0.5383501 -1.4579507 0.2598015 -0.1285832 0.1200641 -1.3498358 41 S -1.7785635 0.2221739 0.1444885 0.2493060 -1.8290854 0.4015179 0.1298432 0.3017056 -1.0470038 42 S -1.7785635 -0.2221739 0.1444885 -0.2493060 -1.8290854 -0.4015179 0.1298432 -0.3017056 -1.0470038 43 S -1.3702000 0.4247996 -0.1401466 0.5383501 -1.4579507 -0.2598015 -0.1285832 -0.1200641 -1.3498358 44 S -1.1867572 0.6534559 -0.0643027 0.6941809 -2.6414092 -0.1355944 -0.1976870 -0.0405686 -0.9717270 45 S -1.1867572 0.6534559 -0.0643027 0.6941809 -2.6414092 -0.1355944 -0.1976870 -0.0405686 -0.9717270 46 S -1.3702000 0.4247996 -0.1401466 0.5383501 -1.4579507 -0.2598015 -0.1285832 -0.1200641 -1.3498358 47 S -1.9348996 0.1208044 0.0337628 0.2370748 -1.0148423 0.0339201 0.2379917 0.0481339 -1.2865166 48 S -2.6739586 -0.0474335 0.5442882 -0.0675442 -0.9416880 0.0102538 0.5022735 0.0152789 -1.1621592 49 S -1.9348996 0.1208044 0.0337628 0.2370748 -1.0148423 0.0339201 0.2379917 0.0481339 -1.2865166 50 S -1.5756852 -0.0111369 0.0299332 0.0174252 -1.0219105 0.0170058 0.0298213 0.0044053 -1.9299748 51 S -1.7185328 0.2258898 0.0824488 0.3510471 -1.8592234 0.4290533 0.0828561 0.3797284 -1.0578165 52 S -1.5756852 -0.0111369 0.0299332 0.0174252 -1.0219105 0.0170058 0.0298213 0.0044053 -1.9299748 53 S -1.0978281 0.4882602 -0.0826970 0.5506524 -2.1752139 -0.0574152 -0.1436508 0.1272085 -1.2573247 54 S -2.6739586 -0.0474335 0.5442882 -0.0675442 -0.9416880 0.0102538 0.5022735 0.0152789 -1.1621592 55 S -1.5756852 0.0111369 0.0299332 -0.0174252 -1.0219105 -0.0170058 0.0298213 -0.0044053 -1.9299748 56 S -1.9348996 -0.1208044 0.0337628 -0.2370748 -1.0148423 -0.0339201 0.2379917 -0.0481339 -1.2865166 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 4 7 3 ] 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: 0.36, Number of G-points: 305, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/28) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 28 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 0.552 ( 0.000 0.000 0.000) 0.000 0.599 ( 0.000 0.000 0.000) 0.000 0.753 ( 0.000 0.000 0.000) 0.000 0.764 ( 0.000 0.000 0.000) 0.000 0.776 ( 0.000 0.000 0.000) 0.000 0.820 ( 0.000 0.000 0.000) 0.000 0.881 ( 0.000 0.000 0.000) 0.000 0.904 ( 0.000 0.000 0.000) 0.000 0.951 ( 0.000 0.000 0.000) 0.000 0.992 ( 0.000 0.000 0.000) 0.000 0.997 ( 0.000 0.000 0.000) 0.000 1.007 ( 0.000 0.000 0.000) 0.000 1.056 ( 0.000 0.000 0.000) 0.000 1.062 ( 0.000 0.000 0.000) 0.000 1.090 ( 0.000 0.000 0.000) 0.000 1.117 ( 0.000 0.000 0.000) 0.000 1.135 ( 0.000 0.000 0.000) 0.000 1.188 ( 0.000 0.000 0.000) 0.000 1.199 ( 0.000 0.000 0.000) 0.000 1.306 ( 0.000 0.000 0.000) 0.000 1.398 ( 0.000 0.000 0.000) 0.000 1.441 ( 0.000 0.000 0.000) 0.000 1.455 ( 0.000 0.000 0.000) 0.000 1.461 ( 0.000 0.000 0.000) 0.000 1.499 ( 0.000 0.000 0.000) 0.000 1.523 ( 0.000 0.000 0.000) 0.000 1.552 ( 0.000 0.000 0.000) 0.000 1.608 ( 0.000 0.000 0.000) 0.000 1.637 ( 0.000 0.000 0.000) 0.000 1.707 ( 0.000 0.000 0.000) 0.000 1.725 ( 0.000 0.000 0.000) 0.000 1.750 ( 0.000 0.000 0.000) 0.000 1.776 ( 0.000 0.000 0.000) 0.000 1.830 ( 0.000 0.000 0.000) 0.000 1.836 ( 0.000 0.000 0.000) 0.000 1.857 ( 0.000 0.000 0.000) 0.000 1.921 ( 0.000 0.000 0.000) 0.000 1.923 ( 0.000 0.000 0.000) 0.000 2.001 ( 0.000 0.000 0.000) 0.000 2.090 ( 0.000 0.000 0.000) 0.000 2.146 ( 0.000 0.000 0.000) 0.000 2.146 ( 0.000 0.000 0.000) 0.000 2.278 ( 0.000 0.000 0.000) 0.000 2.349 ( 0.000 0.000 0.000) 0.000 2.353 ( 0.000 0.000 0.000) 0.000 2.446 ( 0.000 0.000 0.000) 0.000 2.471 ( 0.000 0.000 0.000) 0.000 2.483 ( 0.000 0.000 0.000) 0.000 2.561 ( 0.000 0.000 0.000) 0.000 2.564 ( 0.000 0.000 0.000) 0.000 2.575 ( 0.000 0.000 0.000) 0.000 2.601 ( 0.000 0.000 0.000) 0.000 2.768 ( 0.000 0.000 0.000) 0.000 2.838 ( 0.000 0.000 0.000) 0.000 2.840 ( 0.000 0.000 0.000) 0.000 2.864 ( 0.000 0.000 0.000) 0.000 2.892 ( 0.000 0.000 0.000) 0.000 3.073 ( 0.000 0.000 0.000) 0.000 3.092 ( 0.000 0.000 0.000) 0.000 3.093 ( 0.000 0.000 0.000) 0.000 3.116 ( 0.000 0.000 0.000) 0.000 3.155 ( 0.000 0.000 0.000) 0.000 3.171 ( 0.000 0.000 0.000) 0.000 3.222 ( 0.000 0.000 0.000) 0.000 3.241 ( 0.000 0.000 0.000) 0.000 3.296 ( 0.000 0.000 0.000) 0.000 3.298 ( 0.000 0.000 0.000) 0.000 3.362 ( 0.000 0.000 0.000) 0.000 3.437 ( 0.000 0.000 0.000) 0.000 3.450 ( 0.000 0.000 0.000) 0.000 3.463 ( 0.000 0.000 0.000) 0.000 3.538 ( 0.000 0.000 0.000) 0.000 3.561 ( 0.000 0.000 0.000) 0.000 3.801 ( 0.000 0.000 0.000) 0.000 3.824 ( 0.000 0.000 0.000) 0.000 3.854 ( 0.000 0.000 0.000) 0.000 3.870 ( 0.000 0.000 0.000) 0.000 3.995 ( 0.000 0.000 0.000) 0.000 4.030 ( 0.000 0.000 0.000) 0.000 4.172 ( 0.000 0.000 0.000) 0.000 4.179 ( 0.000 0.000 0.000) 0.000 4.208 ( 0.000 0.000 0.000) 0.000 4.219 ( 0.000 0.000 0.000) 0.000 4.451 ( 0.000 0.000 0.000) 0.000 4.473 ( 0.000 0.000 0.000) 0.000 4.542 ( 0.000 0.000 0.000) 0.000 4.673 ( 0.000 0.000 0.000) 0.000 4.739 ( 0.000 0.000 0.000) 0.000 4.749 ( 0.000 0.000 0.000) 0.000 5.376 ( 0.000 0.000 0.000) 0.000 5.376 ( 0.000 0.000 0.000) 0.000 5.391 ( 0.000 0.000 0.000) 0.000 5.403 ( 0.000 0.000 0.000) 0.000 5.729 ( 0.000 0.000 0.000) 0.000 5.735 ( 0.000 0.000 0.000) 0.000 5.757 ( 0.000 0.000 0.000) 0.000 5.776 ( 0.000 0.000 0.000) 0.000 5.800 ( 0.000 0.000 0.000) 0.000 5.824 ( 0.000 0.000 0.000) 0.000 5.842 ( 0.000 0.000 0.000) 0.000 5.851 ( 0.000 0.000 0.000) 0.000 6.313 ( 0.000 0.000 0.000) 0.000 6.314 ( 0.000 0.000 0.000) 0.000 6.315 ( 0.000 0.000 0.000) 0.000 6.319 ( 0.000 0.000 0.000) 0.000 6.818 ( 0.000 0.000 0.000) 0.000 6.820 ( 0.000 0.000 0.000) 0.000 6.822 ( 0.000 0.000 0.000) 0.000 6.828 ( 0.000 0.000 0.000) 0.000 7.124 ( 0.000 0.000 0.000) 0.000 7.131 ( 0.000 0.000 0.000) 0.000 7.143 ( 0.000 0.000 0.000) 0.000 7.144 ( 0.000 0.000 0.000) 0.000 7.448 ( 0.000 0.000 0.000) 0.000 7.455 ( 0.000 0.000 0.000) 0.000 7.475 ( 0.000 0.000 0.000) 0.000 7.500 ( 0.000 0.000 0.000) 0.000 7.554 ( 0.000 0.000 0.000) 0.000 7.565 ( 0.000 0.000 0.000) 0.000 7.574 ( 0.000 0.000 0.000) 0.000 7.583 ( 0.000 0.000 0.000) 0.000 7.969 ( 0.000 0.000 0.000) 0.000 7.970 ( 0.000 0.000 0.000) 0.000 8.084 ( 0.000 0.000 0.000) 0.000 8.101 ( 0.000 0.000 0.000) 0.000 8.320 ( 0.000 0.000 0.000) 0.000 8.402 ( 0.000 0.000 0.000) 0.000 8.474 ( 0.000 0.000 0.000) 0.000 8.481 ( 0.000 0.000 0.000) 0.000 8.677 ( 0.000 0.000 0.000) 0.000 8.687 ( 0.000 0.000 0.000) 0.000 8.729 ( 0.000 0.000 0.000) 0.000 8.747 ( 0.000 0.000 0.000) 0.000 12.302 ( 0.000 0.000 0.000) 0.000 12.303 ( 0.000 0.000 0.000) 0.000 12.337 ( 0.000 0.000 0.000) 0.000 12.339 ( 0.000 0.000 0.000) 0.000 12.510 ( 0.000 0.000 0.000) 0.000 12.512 ( 0.000 0.000 0.000) 0.000 12.512 ( 0.000 0.000 0.000) 0.000 12.513 ( 0.000 0.000 0.000) 0.000 15.460 ( 0.000 0.000 0.000) 0.000 15.475 ( 0.000 0.000 0.000) 0.000 15.484 ( 0.000 0.000 0.000) 0.000 15.495 ( 0.000 0.000 0.000) 0.000 15.700 ( 0.000 0.000 0.000) 0.000 15.709 ( 0.000 0.000 0.000) 0.000 15.763 ( 0.000 0.000 0.000) 0.000 15.769 ( 0.000 0.000 0.000) 0.000 15.913 ( 0.000 0.000 0.000) 0.000 15.934 ( 0.000 0.000 0.000) 0.000 15.949 ( 0.000 0.000 0.000) 0.000 15.990 ( 0.000 0.000 0.000) 0.000 16.329 ( 0.000 0.000 0.000) 0.000 16.338 ( 0.000 0.000 0.000) 0.000 16.443 ( 0.000 0.000 0.000) 0.000 16.561 ( 0.000 0.000 0.000) 0.000 16.618 ( 0.000 0.000 0.000) 0.000 16.679 ( 0.000 0.000 0.000) 0.000 16.720 ( 0.000 0.000 0.000) 0.000 16.761 ( 0.000 0.000 0.000) 0.000 17.788 ( 0.000 0.000 0.000) 0.000 17.977 ( 0.000 0.000 0.000) 0.000 18.083 ( 0.000 0.000 0.000) 0.000 18.102 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/28) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.256 ( 9.911 0.000 5.709) 11.438 0.293 ( 6.936 0.000 8.944) 11.318 0.496 ( 20.671 0.000 5.425) 21.371 0.613 ( 4.441 0.000 -2.850) 5.277 0.651 ( -1.671 0.000 -2.445) 2.961 0.693 ( 7.602 0.000 1.188) 7.694 0.725 ( -3.247 0.000 1.072) 3.419 0.824 ( 0.680 0.000 -0.938) 1.158 0.826 ( -2.384 0.000 -0.505) 2.436 0.872 ( -4.937 0.000 -3.336) 5.958 0.910 ( 1.585 0.000 0.042) 1.585 0.937 ( 0.434 0.000 1.807) 1.859 0.966 ( 0.050 0.000 2.005) 2.005 0.997 ( 0.027 0.000 1.968) 1.968 1.061 ( 0.065 0.000 3.046) 3.047 1.067 ( 2.431 0.000 -1.115) 2.674 1.084 ( -0.299 0.000 0.870) 0.920 1.093 ( 2.377 0.000 -2.254) 3.276 1.145 ( -1.423 0.000 3.521) 3.798 1.165 ( 3.749 0.000 4.614) 5.945 1.232 ( 1.679 0.000 1.054) 1.982 1.280 ( 5.021 0.000 1.384) 5.208 1.317 ( 1.537 0.000 -1.048) 1.860 1.371 ( -2.155 0.000 -1.428) 2.586 1.429 ( -2.209 0.000 -1.901) 2.915 1.448 ( -0.843 0.000 -0.799) 1.161 1.475 ( 1.719 0.000 -0.971) 1.974 1.479 ( -1.691 0.000 -1.210) 2.079 1.521 ( 1.082 0.000 0.788) 1.339 1.538 ( -0.434 0.000 -2.826) 2.859 1.619 ( -2.558 0.000 -0.904) 2.713 1.632 ( -1.277 0.000 0.548) 1.390 1.638 ( -4.675 0.000 -5.017) 6.858 1.663 ( -2.241 0.000 -5.651) 6.079 1.702 ( -2.312 0.000 -2.649) 3.516 1.746 ( 0.450 0.000 -1.024) 1.119 1.747 ( -2.129 0.000 -3.327) 3.950 1.782 ( -3.078 0.000 1.794) 3.562 1.842 ( -3.977 0.000 -1.300) 4.184 1.888 ( -3.032 0.000 -1.208) 3.263 2.014 ( 4.035 0.000 2.393) 4.691 2.043 ( 1.234 0.000 2.754) 3.018 2.103 ( 0.138 0.000 0.743) 0.755 2.125 ( -1.723 0.000 0.068) 1.724 2.153 ( -2.351 0.000 1.603) 2.846 2.299 ( 1.180 0.000 0.898) 1.483 2.377 ( 1.823 0.000 0.037) 1.824 2.390 ( 3.147 0.000 0.278) 3.160 2.441 ( -1.980 0.000 1.856) 2.714 2.467 ( -2.049 0.000 0.175) 2.056 2.499 ( 0.737 0.000 0.556) 0.923 2.571 ( 1.743 0.000 -0.344) 1.777 2.574 ( 1.076 0.000 -0.053) 1.077 2.610 ( 2.588 0.000 -0.072) 2.589 2.720 ( -2.052 0.000 -1.745) 2.694 2.728 ( -4.781 0.000 2.517) 5.403 2.827 ( -0.514 0.000 0.428) 0.669 2.832 ( -3.455 0.000 0.188) 3.460 2.922 ( 1.871 0.000 1.156) 2.199 2.933 ( -3.059 0.000 3.342) 4.531 3.089 ( 2.065 0.000 -1.443) 2.519 3.089 ( 0.048 0.000 0.050) 0.070 3.101 ( 0.948 0.000 0.355) 1.012 3.116 ( -0.197 0.000 -0.147) 0.246 3.176 ( 1.046 0.000 1.222) 1.608 3.183 ( 0.107 0.000 0.061) 0.123 3.196 ( -1.182 0.000 0.082) 1.185 3.227 ( -1.033 0.000 -0.085) 1.036 3.315 ( 1.010 0.000 0.546) 1.148 3.323 ( 2.113 0.000 0.327) 2.138 3.355 ( -1.169 0.000 0.639) 1.332 3.426 ( -0.590 0.000 -0.612) 0.850 3.455 ( -0.443 0.000 -0.403) 0.599 3.458 ( 0.280 0.000 0.456) 0.535 3.529 ( -0.075 0.000 -1.847) 1.849 3.586 ( 1.924 0.000 0.731) 2.059 3.810 ( 0.481 0.000 0.505) 0.697 3.823 ( 0.195 0.000 -0.409) 0.453 3.873 ( -0.233 0.000 0.040) 0.236 3.889 ( 1.517 0.000 -0.856) 1.742 4.007 ( -1.263 0.000 -1.014) 1.620 4.020 ( 1.544 0.000 0.951) 1.813 4.172 ( 0.028 0.000 -0.018) 0.034 4.184 ( 0.605 0.000 0.034) 0.606 4.206 ( -0.113 0.000 -0.097) 0.149 4.212 ( -0.776 0.000 0.053) 0.778 4.460 ( 1.883 0.000 0.556) 1.964 4.540 ( -0.673 0.000 1.078) 1.271 4.677 ( -2.866 0.000 -2.188) 3.606 4.688 ( -1.155 0.000 2.786) 3.016 4.801 ( 6.509 0.000 -11.550) 13.258 4.825 ( 4.432 0.000 0.764) 4.497 5.365 ( -0.274 0.000 -0.285) 0.396 5.379 ( 0.029 0.000 -0.157) 0.159 5.404 ( -0.341 0.000 -0.476) 0.585 5.408 ( 1.116 0.000 -0.640) 1.286 5.722 ( -0.433 0.000 -0.335) 0.548 5.722 ( -0.769 0.000 -0.606) 0.979 5.755 ( -0.285 0.000 0.479) 0.557 5.773 ( -0.418 0.000 -0.501) 0.653 5.800 ( 0.365 0.000 -0.387) 0.533 5.827 ( -0.701 0.000 0.553) 0.893 5.832 ( -0.567 0.000 -0.060) 0.571 5.879 ( 1.274 0.000 1.038) 1.644 6.309 ( -0.202 0.000 -0.269) 0.336 6.314 ( 0.124 0.000 -0.056) 0.136 6.319 ( -0.057 0.000 0.181) 0.189 6.323 ( 0.246 0.000 -0.058) 0.253 6.819 ( 0.274 0.000 -0.307) 0.411 6.824 ( 0.352 0.000 0.246) 0.430 6.824 ( -0.100 0.000 0.158) 0.187 6.842 ( 0.412 0.000 -0.331) 0.529 7.127 ( 0.251 0.000 0.096) 0.269 7.127 ( -0.157 0.000 -0.133) 0.206 7.144 ( 0.040 0.000 -0.039) 0.055 7.145 ( 0.118 0.000 -0.026) 0.121 7.448 ( -0.734 0.000 0.192) 0.759 7.454 ( 0.305 0.000 0.308) 0.433 7.469 ( -0.181 0.000 -0.601) 0.628 7.509 ( -0.084 0.000 0.127) 0.152 7.554 ( -0.001 0.000 0.087) 0.087 7.563 ( -0.168 0.000 -0.029) 0.171 7.577 ( 0.199 0.000 0.037) 0.203 7.582 ( -0.009 0.000 -0.108) 0.109 7.963 ( -0.200 0.000 -0.582) 0.615 7.979 ( 0.743 0.000 0.242) 0.782 8.113 ( 1.826 0.000 -0.429) 1.876 8.158 ( 3.856 0.000 -4.662) 6.050 8.320 ( -0.027 0.000 0.123) 0.126 8.381 ( -1.028 0.000 -1.250) 1.618 8.476 ( -0.394 0.000 -0.077) 0.401 8.479 ( 0.328 0.000 -0.004) 0.328 8.669 ( -0.375 0.000 -0.397) 0.546 8.696 ( 0.549 0.000 0.369) 0.662 8.749 ( -0.354 0.000 0.716) 0.799 8.794 ( -1.560 0.000 1.758) 2.351 12.302 ( -0.048 0.000 -0.106) 0.116 12.306 ( 0.267 0.000 0.149) 0.306 12.336 ( -0.098 0.000 -0.101) 0.141 12.339 ( 0.041 0.000 -0.001) 0.041 12.509 ( -0.143 0.000 -0.074) 0.161 12.511 ( 0.029 0.000 0.051) 0.059 12.512 ( -0.060 0.000 0.036) 0.070 12.515 ( -0.025 0.000 0.001) 0.025 15.462 ( 0.123 0.000 0.189) 0.226 15.474 ( -0.590 0.000 -0.309) 0.666 15.482 ( -0.142 0.000 -0.051) 0.151 15.503 ( 0.182 0.000 0.266) 0.323 15.702 ( -0.307 0.000 -0.355) 0.469 15.707 ( -0.437 0.000 -0.343) 0.555 15.784 ( 1.259 0.000 0.308) 1.296 15.798 ( 3.019 0.000 -0.202) 3.026 15.920 ( 0.653 0.000 0.391) 0.761 15.932 ( 0.215 0.000 -0.315) 0.382 15.973 ( -1.950 0.000 0.033) 1.950 16.002 ( -4.151 0.000 2.288) 4.740 16.325 ( -0.147 0.000 -0.231) 0.274 16.342 ( 0.270 0.000 0.136) 0.303 16.464 ( -1.878 0.000 2.635) 3.236 16.548 ( -2.547 0.000 1.396) 2.904 16.618 ( 1.338 0.000 -1.761) 2.212 16.743 ( -0.245 0.000 -1.626) 1.645 16.764 ( 3.234 0.000 1.726) 3.666 16.991 ( 0.161 0.000 0.945) 0.959 17.881 ( 8.611 0.000 -12.230) 14.958 17.997 ( 2.084 0.000 -0.614) 2.173 18.045 ( -1.932 0.000 0.012) 1.932 18.151 ( 4.460 0.000 -1.680) 4.766 ======================= Grid point 2 (3/28) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 16 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.415 ( -0.000 0.000 0.000) 0.000 0.420 ( 0.000 0.000 0.000) 0.000 0.606 ( 0.000 0.000 0.000) 0.000 0.616 ( 0.000 0.000 0.000) 0.000 0.691 ( -0.000 0.000 0.000) 0.000 0.710 ( 0.000 0.000 0.000) 0.000 0.773 ( 0.000 0.000 0.000) 0.000 0.779 ( 0.000 0.000 0.000) 0.000 0.816 ( 0.000 0.000 0.000) 0.000 0.858 ( 0.000 0.000 0.000) 0.000 0.892 ( 0.000 0.000 0.000) 0.000 0.950 ( 0.000 0.000 0.000) 0.000 1.011 ( -0.000 0.000 0.000) 0.000 1.026 ( 0.000 0.000 0.000) 0.000 1.063 ( 0.000 0.000 0.000) 0.000 1.093 ( -0.000 0.000 0.000) 0.000 1.102 ( 0.000 0.000 0.000) 0.000 1.119 ( 0.000 0.000 0.000) 0.000 1.223 ( -0.000 0.000 -0.000) 0.000 1.225 ( 0.000 0.000 0.000) 0.000 1.293 ( 0.000 0.000 0.000) 0.000 1.327 ( 0.000 0.000 0.000) 0.000 1.330 ( 0.000 0.000 0.000) 0.000 1.351 ( -0.000 0.000 0.000) 0.000 1.374 ( 0.000 0.000 0.000) 0.000 1.396 ( 0.000 0.000 0.000) 0.000 1.413 ( 0.000 0.000 0.000) 0.000 1.451 ( -0.000 0.000 0.000) 0.000 1.490 ( 0.000 0.000 0.000) 0.000 1.513 ( 0.000 0.000 0.000) 0.000 1.542 ( -0.000 0.000 0.000) 0.000 1.567 ( 0.000 0.000 0.000) 0.000 1.597 ( 0.000 0.000 0.000) 0.000 1.653 ( 0.000 0.000 -0.000) 0.000 1.670 ( 0.000 0.000 0.000) 0.000 1.701 ( 0.000 0.000 0.000) 0.000 1.774 ( -0.000 0.000 0.000) 0.000 1.782 ( 0.000 0.000 0.000) 0.000 1.795 ( 0.000 0.000 0.000) 0.000 1.818 ( 0.000 0.000 0.000) 0.000 2.079 ( 0.000 0.000 0.000) 0.000 2.080 ( -0.000 0.000 0.000) 0.000 2.107 ( 0.000 0.000 0.000) 0.000 2.108 ( 0.000 0.000 0.000) 0.000 2.128 ( 0.000 0.000 0.000) 0.000 2.320 ( -0.000 0.000 0.000) 0.000 2.398 ( 0.000 0.000 0.000) 0.000 2.418 ( 0.000 0.000 0.000) 0.000 2.437 ( 0.000 0.000 0.000) 0.000 2.448 ( 0.000 0.000 0.000) 0.000 2.507 ( 0.000 0.000 0.000) 0.000 2.583 ( 0.000 0.000 0.000) 0.000 2.596 ( 0.000 0.000 0.000) 0.000 2.634 ( 0.000 0.000 0.000) 0.000 2.689 ( 0.000 0.000 0.000) 0.000 2.695 ( -0.000 0.000 0.000) 0.000 2.806 ( 0.000 0.000 0.000) 0.000 2.826 ( 0.000 0.000 0.000) 0.000 2.925 ( 0.000 0.000 0.000) 0.000 2.938 ( 0.000 0.000 0.000) 0.000 3.094 ( 0.000 0.000 0.000) 0.000 3.100 ( 0.000 0.000 0.000) 0.000 3.110 ( 0.000 0.000 0.000) 0.000 3.114 ( 0.000 0.000 0.000) 0.000 3.182 ( 0.000 0.000 0.000) 0.000 3.194 ( 0.000 0.000 0.000) 0.000 3.203 ( -0.000 0.000 -0.000) 0.000 3.213 ( 0.000 0.000 0.000) 0.000 3.331 ( -0.000 0.000 0.000) 0.000 3.347 ( 0.000 0.000 -0.000) 0.000 3.350 ( -0.000 0.000 0.000) 0.000 3.412 ( 0.000 0.000 0.000) 0.000 3.447 ( 0.000 0.000 0.000) 0.000 3.465 ( 0.000 0.000 0.000) 0.000 3.509 ( 0.000 0.000 0.000) 0.000 3.614 ( 0.000 0.000 0.000) 0.000 3.820 ( 0.000 0.000 0.000) 0.000 3.821 ( 0.000 0.000 0.000) 0.000 3.865 ( 0.000 0.000 0.000) 0.000 3.896 ( 0.000 0.000 0.000) 0.000 3.987 ( 0.000 0.000 0.000) 0.000 4.044 ( 0.000 0.000 0.000) 0.000 4.171 ( 0.000 0.000 0.000) 0.000 4.194 ( -0.000 0.000 0.000) 0.000 4.203 ( 0.000 0.000 0.000) 0.000 4.205 ( 0.000 0.000 0.000) 0.000 4.518 ( 0.000 0.000 0.000) 0.000 4.548 ( 0.000 0.000 0.000) 0.000 4.604 ( 0.000 0.000 0.000) 0.000 4.691 ( 0.000 0.000 0.000) 0.000 4.773 ( 0.000 0.000 0.000) 0.000 4.876 ( 0.000 0.000 0.000) 0.000 5.370 ( -0.000 0.000 -0.000) 0.000 5.381 ( 0.000 0.000 0.000) 0.000 5.383 ( 0.000 0.000 0.000) 0.000 5.410 ( 0.000 0.000 0.000) 0.000 5.710 ( 0.000 0.000 0.000) 0.000 5.715 ( -0.000 0.000 0.000) 0.000 5.757 ( 0.000 0.000 0.000) 0.000 5.764 ( 0.000 0.000 0.000) 0.000 5.801 ( 0.000 0.000 0.000) 0.000 5.824 ( 0.000 0.000 0.000) 0.000 5.826 ( 0.000 0.000 0.000) 0.000 5.900 ( 0.000 0.000 0.000) 0.000 6.305 ( 0.000 0.000 0.000) 0.000 6.314 ( 0.000 0.000 0.000) 0.000 6.320 ( 0.000 0.000 0.000) 0.000 6.324 ( 0.000 0.000 0.000) 0.000 6.821 ( 0.000 0.000 0.000) 0.000 6.823 ( -0.000 0.000 0.000) 0.000 6.830 ( 0.000 0.000 0.000) 0.000 6.843 ( 0.000 0.000 0.000) 0.000 7.125 ( 0.000 0.000 0.000) 0.000 7.131 ( 0.000 0.000 0.000) 0.000 7.143 ( 0.000 0.000 0.000) 0.000 7.146 ( 0.000 0.000 0.000) 0.000 7.443 ( 0.000 0.000 0.000) 0.000 7.459 ( 0.000 0.000 0.000) 0.000 7.461 ( 0.000 0.000 0.000) 0.000 7.510 ( 0.000 0.000 0.000) 0.000 7.555 ( 0.000 0.000 0.000) 0.000 7.561 ( 0.000 0.000 0.000) 0.000 7.579 ( 0.000 0.000 0.000) 0.000 7.581 ( 0.000 0.000 0.000) 0.000 7.956 ( 0.000 0.000 0.000) 0.000 7.989 ( 0.000 0.000 0.000) 0.000 8.133 ( 0.000 0.000 0.000) 0.000 8.158 ( 0.000 0.000 0.000) 0.000 8.321 ( 0.000 0.000 0.000) 0.000 8.357 ( 0.000 0.000 0.000) 0.000 8.471 ( 0.000 0.000 0.000) 0.000 8.481 ( 0.000 0.000 0.000) 0.000 8.662 ( 0.000 0.000 0.000) 0.000 8.705 ( 0.000 0.000 0.000) 0.000 8.752 ( 0.000 0.000 0.000) 0.000 8.793 ( -0.000 0.000 0.000) 0.000 12.300 ( 0.000 0.000 0.000) 0.000 12.310 ( 0.000 0.000 0.000) 0.000 12.334 ( 0.000 0.000 0.000) 0.000 12.340 ( 0.000 0.000 0.000) 0.000 12.507 ( 0.000 0.000 0.000) 0.000 12.512 ( 0.000 0.000 0.000) 0.000 12.512 ( 0.000 0.000 0.000) 0.000 12.513 ( 0.000 0.000 0.000) 0.000 15.466 ( -0.000 0.000 0.000) 0.000 15.467 ( 0.000 0.000 0.000) 0.000 15.480 ( 0.000 0.000 0.000) 0.000 15.507 ( 0.000 0.000 0.000) 0.000 15.696 ( 0.000 0.000 0.000) 0.000 15.702 ( 0.000 0.000 0.000) 0.000 15.802 ( -0.000 0.000 0.000) 0.000 15.826 ( 0.000 0.000 0.000) 0.000 15.938 ( -0.000 0.000 0.000) 0.000 15.944 ( 0.000 0.000 0.000) 0.000 15.948 ( -0.000 0.000 0.000) 0.000 15.960 ( 0.000 0.000 0.000) 0.000 16.322 ( 0.000 0.000 0.000) 0.000 16.346 ( 0.000 0.000 0.000) 0.000 16.467 ( 0.000 0.000 0.000) 0.000 16.532 ( 0.000 0.000 0.000) 0.000 16.616 ( 0.000 0.000 0.000) 0.000 16.727 ( 0.000 0.000 0.000) 0.000 16.817 ( 0.000 0.000 0.000) 0.000 17.000 ( 0.000 0.000 0.000) 0.000 17.867 ( 0.000 0.000 0.000) 0.000 18.011 ( 0.000 0.000 0.000) 0.000 18.029 ( 0.000 0.000 0.000) 0.000 18.179 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 5 (4/28) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.210 ( 0.000 14.112 0.000) 14.112 0.317 ( 0.000 15.550 0.000) 15.550 0.647 ( 0.000 7.948 0.000) 7.948 0.679 ( 0.000 24.315 0.000) 24.315 0.762 ( 0.000 3.213 0.000) 3.213 0.779 ( 0.000 5.077 0.000) 5.077 0.842 ( 0.000 5.829 0.000) 5.829 0.884 ( 0.000 5.017 0.000) 5.017 0.901 ( 0.000 3.627 0.000) 3.627 0.937 ( 0.000 6.834 0.000) 6.834 0.949 ( 0.000 11.843 0.000) 11.843 0.954 ( 0.000 -0.037 0.000) 0.037 0.984 ( 0.000 0.403 0.000) 0.403 1.014 ( 0.000 1.310 0.000) 1.310 1.051 ( 0.000 6.912 0.000) 6.912 1.135 ( 0.000 6.787 0.000) 6.787 1.158 ( 0.000 7.633 0.000) 7.633 1.205 ( 0.000 7.823 0.000) 7.823 1.209 ( 0.000 3.141 0.000) 3.141 1.233 ( 0.000 12.880 0.000) 12.880 1.299 ( 0.000 7.199 0.000) 7.199 1.316 ( 0.000 11.541 0.000) 11.541 1.391 ( 0.000 7.291 0.000) 7.291 1.423 ( 0.000 -0.331 0.000) 0.331 1.424 ( 0.000 0.873 0.000) 0.873 1.458 ( 0.000 0.610 0.000) 0.610 1.515 ( 0.000 0.623 0.000) 0.623 1.518 ( 0.000 1.159 0.000) 1.159 1.524 ( 0.000 3.970 0.000) 3.970 1.577 ( 0.000 2.670 0.000) 2.670 1.620 ( 0.000 1.472 0.000) 1.472 1.628 ( 0.000 0.643 0.000) 0.643 1.743 ( 0.000 -0.068 0.000) 0.068 1.753 ( 0.000 -0.698 0.000) 0.698 1.762 ( 0.000 3.312 0.000) 3.312 1.811 ( 0.000 3.547 0.000) 3.547 1.829 ( 0.000 0.915 0.000) 0.915 1.865 ( 0.000 2.338 0.000) 2.338 1.880 ( 0.000 2.808 0.000) 2.808 1.899 ( 0.000 -1.543 0.000) 1.543 1.930 ( 0.000 1.509 0.000) 1.509 2.005 ( 0.000 0.372 0.000) 0.372 2.145 ( 0.000 -0.074 0.000) 0.074 2.175 ( 0.000 5.644 0.000) 5.644 2.190 ( 0.000 3.328 0.000) 3.328 2.257 ( 0.000 -1.254 0.000) 1.254 2.303 ( 0.000 -4.345 0.000) 4.345 2.352 ( 0.000 -1.217 0.000) 1.217 2.481 ( 0.000 0.125 0.000) 0.125 2.504 ( 0.000 2.216 0.000) 2.216 2.536 ( 0.000 4.232 0.000) 4.232 2.549 ( 0.000 -0.277 0.000) 0.277 2.603 ( 0.000 0.774 0.000) 0.774 2.624 ( 0.000 4.245 0.000) 4.245 2.659 ( 0.000 4.110 0.000) 4.110 2.760 ( 0.000 -0.298 0.000) 0.298 2.828 ( 0.000 -0.503 0.000) 0.503 2.843 ( 0.000 0.316 0.000) 0.316 2.845 ( 0.000 -3.312 0.000) 3.312 2.858 ( 0.000 -1.276 0.000) 1.276 3.081 ( 0.000 0.717 0.000) 0.717 3.092 ( 0.000 -0.060 0.000) 0.060 3.108 ( 0.000 -0.969 0.000) 0.969 3.144 ( 0.000 -0.829 0.000) 0.829 3.195 ( 0.000 3.069 0.000) 3.069 3.209 ( 0.000 -1.188 0.000) 1.188 3.236 ( 0.000 -0.726 0.000) 0.726 3.240 ( 0.000 -0.810 0.000) 0.810 3.299 ( 0.000 -1.102 0.000) 1.102 3.323 ( 0.000 1.485 0.000) 1.485 3.349 ( 0.000 -1.123 0.000) 1.123 3.421 ( 0.000 -1.427 0.000) 1.427 3.435 ( 0.000 -1.210 0.000) 1.210 3.476 ( 0.000 -0.949 0.000) 0.949 3.520 ( 0.000 -1.396 0.000) 1.396 3.544 ( 0.000 -1.431 0.000) 1.431 3.855 ( 0.000 0.131 0.000) 0.131 3.863 ( 0.000 4.759 0.000) 4.759 3.864 ( 0.000 -0.015 0.000) 0.015 3.921 ( 0.000 1.814 0.000) 1.814 3.995 ( 0.000 0.090 0.000) 0.090 4.057 ( 0.000 0.201 0.000) 0.201 4.212 ( 0.000 3.508 0.000) 3.508 4.240 ( 0.000 2.394 0.000) 2.394 4.247 ( 0.000 2.329 0.000) 2.329 4.401 ( 0.000 -0.764 0.000) 0.764 4.455 ( 0.000 -0.139 0.000) 0.139 4.481 ( 0.000 0.259 0.000) 0.259 4.560 ( 0.000 1.560 0.000) 1.560 4.649 ( 0.000 -1.675 0.000) 1.675 4.693 ( 0.000 -4.519 0.000) 4.519 4.738 ( 0.000 -1.039 0.000) 1.039 5.383 ( 0.000 0.728 0.000) 0.728 5.389 ( 0.000 -0.177 0.000) 0.177 5.390 ( 0.000 1.034 0.000) 1.034 5.404 ( 0.000 -0.473 0.000) 0.473 5.720 ( 0.000 -1.109 0.000) 1.109 5.738 ( 0.000 -1.558 0.000) 1.558 5.743 ( 0.000 -1.489 0.000) 1.489 5.756 ( 0.000 -1.865 0.000) 1.865 5.839 ( 0.000 3.656 0.000) 3.656 5.862 ( 0.000 2.877 0.000) 2.877 5.874 ( 0.000 2.747 0.000) 2.747 5.935 ( 0.000 1.049 0.000) 1.049 6.336 ( 0.000 1.795 0.000) 1.795 6.337 ( 0.000 1.911 0.000) 1.911 6.340 ( 0.000 1.914 0.000) 1.914 6.343 ( 0.000 2.107 0.000) 2.107 6.803 ( 0.000 -1.563 0.000) 1.563 6.803 ( 0.000 -1.349 0.000) 1.349 6.807 ( 0.000 -1.906 0.000) 1.906 6.808 ( 0.000 -1.524 0.000) 1.524 7.136 ( 0.000 1.136 0.000) 1.136 7.151 ( 0.000 1.623 0.000) 1.623 7.152 ( 0.000 0.834 0.000) 0.834 7.159 ( 0.000 0.810 0.000) 0.810 7.427 ( 0.000 -1.827 0.000) 1.827 7.432 ( 0.000 -1.867 0.000) 1.867 7.441 ( 0.000 -2.732 0.000) 2.732 7.469 ( 0.000 -2.586 0.000) 2.586 7.588 ( 0.000 2.870 0.000) 2.870 7.595 ( 0.000 2.574 0.000) 2.574 7.615 ( 0.000 2.626 0.000) 2.626 7.619 ( 0.000 2.588 0.000) 2.588 7.988 ( 0.000 1.467 0.000) 1.467 8.072 ( 0.000 -1.048 0.000) 1.048 8.074 ( 0.000 0.282 0.000) 0.282 8.086 ( 0.000 -1.207 0.000) 1.207 8.315 ( 0.000 -0.370 0.000) 0.370 8.380 ( 0.000 -1.838 0.000) 1.838 8.457 ( 0.000 -1.459 0.000) 1.459 8.471 ( 0.000 -1.036 0.000) 1.036 8.648 ( 0.000 -2.471 0.000) 2.471 8.665 ( 0.000 -2.012 0.000) 2.012 8.699 ( 0.000 -2.682 0.000) 2.682 8.723 ( 0.000 -2.242 0.000) 2.242 12.295 ( 0.000 -0.634 0.000) 0.634 12.299 ( 0.000 -0.627 0.000) 0.627 12.321 ( 0.000 -1.151 0.000) 1.151 12.330 ( 0.000 -0.939 0.000) 0.939 12.500 ( 0.000 -1.032 0.000) 1.032 12.500 ( 0.000 -0.901 0.000) 0.901 12.501 ( 0.000 -0.992 0.000) 0.992 12.502 ( 0.000 -1.041 0.000) 1.041 15.477 ( 0.000 1.047 0.000) 1.047 15.507 ( 0.000 2.209 0.000) 2.209 15.518 ( 0.000 0.962 0.000) 0.962 15.576 ( 0.000 -0.024 0.000) 0.024 15.727 ( 0.000 2.567 0.000) 2.567 15.752 ( 0.000 3.741 0.000) 3.741 15.765 ( 0.000 0.775 0.000) 0.775 15.867 ( 0.000 1.173 0.000) 1.173 15.952 ( 0.000 0.626 0.000) 0.626 15.981 ( 0.000 5.074 0.000) 5.074 16.012 ( 0.000 2.025 0.000) 2.025 16.186 ( 0.000 -0.329 0.000) 0.329 16.350 ( 0.000 1.953 0.000) 1.953 16.432 ( 0.000 -1.409 0.000) 1.409 16.507 ( 0.000 -3.204 0.000) 3.204 16.595 ( 0.000 -2.286 0.000) 2.286 16.616 ( 0.000 -4.541 0.000) 4.541 16.681 ( 0.000 -5.918 0.000) 5.918 16.709 ( 0.000 -0.974 0.000) 0.974 16.727 ( 0.000 -0.248 0.000) 0.248 17.760 ( 0.000 -2.473 0.000) 2.473 17.927 ( 0.000 -4.426 0.000) 4.426 18.028 ( 0.000 -4.938 0.000) 4.938 18.030 ( 0.000 -6.175 0.000) 6.175 ======================= Grid point 6 (5/28) ======================= q-point: ( 0.25 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.398 ( 4.979 9.124 8.151) 13.209 0.474 ( 13.066 8.596 2.142) 15.786 0.680 ( -2.821 4.138 -0.904) 5.089 0.728 ( 7.655 6.444 -2.467) 10.305 0.742 ( 1.055 12.389 2.308) 12.646 0.809 ( 1.025 6.771 0.293) 6.855 0.844 ( 2.338 5.821 0.631) 6.305 0.883 ( 1.045 7.035 -0.358) 7.121 0.909 ( -0.780 11.072 -0.274) 11.103 0.930 ( -0.123 1.410 -1.101) 1.793 0.946 ( 0.300 3.539 0.920) 3.669 0.975 ( -2.335 3.173 -0.609) 3.986 0.997 ( 1.385 4.406 1.783) 4.951 1.024 ( 1.240 3.539 0.872) 3.850 1.099 ( -0.765 5.156 -0.043) 5.213 1.135 ( 3.536 8.336 2.723) 9.456 1.162 ( 0.264 7.288 -0.666) 7.323 1.209 ( -0.341 7.415 -0.157) 7.425 1.224 ( 0.232 7.263 2.133) 7.573 1.232 ( 1.161 5.593 2.860) 6.388 1.307 ( 2.349 9.164 1.732) 9.617 1.377 ( 1.083 4.576 -0.330) 4.714 1.393 ( 2.815 8.063 -0.573) 8.559 1.408 ( -1.399 4.598 -0.578) 4.841 1.439 ( 0.180 0.501 -2.030) 2.099 1.461 ( 0.261 -0.604 -0.004) 0.658 1.484 ( -0.115 1.309 -1.532) 2.019 1.518 ( 1.088 1.122 -0.371) 1.606 1.532 ( 0.063 5.006 -0.001) 5.007 1.560 ( -0.463 1.922 -1.045) 2.236 1.628 ( -1.517 1.252 0.197) 1.976 1.635 ( -0.349 1.268 1.753) 2.191 1.655 ( -2.777 2.341 -4.804) 6.023 1.665 ( -3.362 0.827 -4.566) 5.731 1.731 ( -0.794 0.350 -5.277) 5.348 1.775 ( -1.926 3.073 -2.548) 4.432 1.777 ( -4.022 3.970 -1.033) 5.745 1.823 ( -3.457 3.667 0.997) 5.137 1.843 ( -1.705 1.465 -0.515) 2.306 1.874 ( -3.647 -0.235 -0.574) 3.700 1.998 ( 3.738 -0.621 3.271) 5.006 2.038 ( 0.700 -0.437 1.976) 2.141 2.136 ( -1.948 -0.033 1.182) 2.279 2.187 ( 0.262 5.515 0.531) 5.547 2.193 ( -0.266 4.267 -0.355) 4.290 2.280 ( 1.721 -1.640 0.602) 2.453 2.337 ( 2.193 -4.641 0.499) 5.158 2.372 ( 2.017 -1.863 0.099) 2.748 2.459 ( -0.925 1.304 0.892) 1.831 2.502 ( -0.952 1.617 0.040) 1.877 2.524 ( -1.128 3.683 -0.274) 3.861 2.561 ( 0.260 -1.319 0.745) 1.537 2.612 ( 1.148 3.267 0.395) 3.485 2.639 ( 0.648 4.184 0.639) 4.282 2.683 ( -1.101 -0.253 0.763) 1.363 2.729 ( -1.154 0.634 -0.732) 1.507 2.826 ( -0.201 0.024 0.300) 0.362 2.831 ( -1.021 0.286 0.389) 1.130 2.853 ( 0.931 -3.683 0.105) 3.800 2.904 ( 1.267 -1.905 1.347) 2.655 3.080 ( 0.378 -0.193 -0.245) 0.490 3.095 ( 0.749 0.132 0.012) 0.761 3.111 ( 0.057 -0.783 0.428) 0.894 3.138 ( -0.500 -0.615 -0.293) 0.845 3.192 ( -2.037 0.388 0.006) 2.074 3.198 ( -0.420 2.357 0.238) 2.406 3.222 ( -0.592 -0.253 0.333) 0.725 3.244 ( -0.760 0.300 0.138) 0.829 3.292 ( 0.365 0.777 -0.761) 1.147 3.325 ( 2.671 -0.656 -0.440) 2.785 3.350 ( -0.807 -0.389 1.106) 1.423 3.412 ( -0.717 -1.427 -0.943) 1.855 3.422 ( -0.866 -1.683 -0.052) 1.893 3.460 ( -0.782 -0.432 0.477) 1.012 3.513 ( -0.196 -1.265 -1.169) 1.733 3.562 ( 1.264 -2.100 0.579) 2.519 3.856 ( 0.444 1.603 0.175) 1.673 3.872 ( 0.493 2.021 0.326) 2.106 3.880 ( 1.366 2.447 -0.369) 2.826 3.915 ( -0.703 2.557 -0.226) 2.662 4.004 ( -0.261 -0.561 0.100) 0.626 4.022 ( -1.219 0.635 -0.698) 1.542 4.205 ( -0.103 2.914 -0.058) 2.916 4.232 ( -1.831 3.275 0.089) 3.753 4.243 ( -0.720 2.616 0.532) 2.765 4.261 ( -1.177 3.924 -1.085) 4.238 4.463 ( 1.449 -0.168 -0.003) 1.459 4.558 ( -0.846 1.563 0.882) 1.984 4.623 ( -0.117 -6.066 2.502) 6.563 4.646 ( -2.224 -2.513 -0.735) 3.435 4.718 ( 8.082 -2.793 -3.702) 9.318 4.784 ( 3.888 -3.669 -0.951) 5.430 5.375 ( -0.397 0.568 -0.321) 0.764 5.385 ( 0.030 0.431 -0.204) 0.478 5.397 ( 0.394 -0.252 0.282) 0.546 5.403 ( -0.322 0.143 -0.124) 0.374 5.711 ( -0.805 -1.138 -0.339) 1.435 5.714 ( -0.528 -1.088 -0.296) 1.245 5.743 ( -1.204 -2.010 0.028) 2.343 5.762 ( 0.045 -0.888 0.588) 1.066 5.845 ( 0.531 3.985 0.019) 4.020 5.861 ( -0.103 3.111 0.009) 3.113 5.870 ( -0.491 2.744 -0.034) 2.788 5.901 ( -0.713 2.143 -0.715) 2.369 6.328 ( -0.327 2.005 0.035) 2.031 6.338 ( 0.030 1.978 -0.236) 1.993 6.344 ( 0.078 1.842 0.297) 1.868 6.346 ( 0.292 2.153 -0.058) 2.173 6.803 ( 0.208 -1.461 -0.213) 1.491 6.804 ( 0.193 -1.563 -0.014) 1.574 6.808 ( 0.102 -1.515 0.178) 1.529 6.814 ( 0.351 -2.156 0.046) 2.185 7.136 ( 0.097 1.066 -0.056) 1.072 7.150 ( -0.344 1.161 0.176) 1.223 7.156 ( 0.331 1.331 -0.261) 1.396 7.164 ( 0.497 1.269 -0.049) 1.364 7.423 ( -0.379 -2.156 -0.035) 2.189 7.430 ( -0.037 -1.913 0.064) 1.914 7.439 ( 0.186 -2.391 -0.570) 2.465 7.476 ( 0.294 -2.616 0.195) 2.640 7.586 ( -0.212 2.715 0.047) 2.724 7.593 ( -0.176 2.541 0.110) 2.549 7.614 ( 0.024 2.647 -0.215) 2.655 7.626 ( 0.290 3.371 0.056) 3.384 7.983 ( -0.222 1.653 -0.280) 1.691 8.021 ( -1.092 2.127 0.278) 2.408 8.087 ( 0.513 -1.978 -0.458) 2.094 8.116 ( 2.145 -2.744 -1.713) 3.881 8.314 ( 0.234 -0.403 -0.306) 0.557 8.365 ( -0.619 -1.287 -0.895) 1.686 8.463 ( 0.109 -1.277 -0.029) 1.282 8.466 ( -0.014 -1.136 -0.186) 1.151 8.641 ( -0.269 -2.388 -0.506) 2.455 8.668 ( 0.619 -2.396 0.079) 2.476 8.720 ( -0.459 -2.623 0.447) 2.700 8.742 ( 0.511 -3.617 2.021) 4.175 12.295 ( -0.112 -0.598 -0.165) 0.630 12.298 ( 0.284 -0.625 0.137) 0.700 12.325 ( 0.014 -0.968 0.004) 0.968 12.328 ( -0.009 -1.016 -0.037) 1.017 12.498 ( -0.155 -0.997 -0.032) 1.009 12.500 ( -0.028 -0.998 0.029) 0.999 12.501 ( -0.046 -0.952 0.042) 0.954 12.502 ( -0.011 -1.068 0.015) 1.068 15.483 ( 0.303 1.203 0.353) 1.290 15.500 ( -0.317 1.704 -0.160) 1.740 15.520 ( -0.284 1.560 -0.274) 1.609 15.556 ( -0.862 1.962 -0.184) 2.151 15.732 ( 0.156 2.585 -0.017) 2.590 15.756 ( 0.183 4.091 0.193) 4.100 15.780 ( 1.027 0.711 -0.219) 1.268 15.852 ( 1.230 1.528 -1.155) 2.276 15.963 ( -0.465 1.190 1.053) 1.655 15.984 ( 0.570 4.339 -0.220) 4.382 15.999 ( -1.549 2.763 0.458) 3.201 16.081 ( -6.617 5.767 -2.287) 9.071 16.354 ( 0.292 2.716 0.171) 2.737 16.403 ( -2.111 4.874 -2.185) 5.743 16.444 ( -1.884 -1.766 1.111) 2.811 16.522 ( -0.532 -2.886 1.883) 3.487 16.597 ( -0.684 -0.942 -1.631) 2.004 16.681 ( -0.532 -5.257 -1.268) 5.434 16.691 ( 2.882 -6.503 0.761) 7.153 16.886 ( 2.634 -6.779 2.239) 7.610 17.804 ( 5.511 -5.043 -4.562) 8.753 17.940 ( 0.746 -4.784 0.659) 4.887 17.993 ( -1.537 -4.584 0.046) 4.835 18.071 ( 3.189 -6.882 -1.252) 7.687 ======================= Grid point 7 (6/28) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 25 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.511 ( -0.000 8.047 0.000) 8.047 0.606 ( 0.000 3.832 0.000) 3.832 0.668 ( 0.000 3.659 0.000) 3.659 0.720 ( 0.000 9.053 0.000) 9.053 0.785 ( 0.000 2.099 0.000) 2.099 0.863 ( -0.000 16.247 -0.000) 16.247 0.882 ( 0.000 7.068 0.000) 7.068 0.883 ( 0.000 7.068 0.000) 7.068 0.892 ( -0.000 3.480 0.000) 3.480 0.898 ( 0.000 5.963 -0.000) 5.963 0.937 ( 0.000 6.389 0.000) 6.389 0.952 ( -0.000 2.583 0.000) 2.583 1.014 ( 0.000 -0.909 0.000) 0.909 1.049 ( 0.000 3.694 0.000) 3.694 1.130 ( 0.000 6.348 0.000) 6.348 1.157 ( -0.000 6.218 0.000) 6.218 1.189 ( 0.000 3.745 -0.000) 3.745 1.221 ( -0.000 8.402 0.000) 8.402 1.248 ( 0.000 5.661 0.000) 5.661 1.336 ( 0.000 4.563 0.000) 4.563 1.352 ( -0.000 10.751 0.000) 10.751 1.384 ( 0.000 5.662 0.000) 5.662 1.399 ( 0.000 1.418 0.000) 1.418 1.407 ( 0.000 2.554 0.000) 2.554 1.428 ( 0.000 6.097 0.000) 6.097 1.436 ( 0.000 5.526 0.000) 5.526 1.452 ( 0.000 5.046 0.000) 5.046 1.477 ( 0.000 1.667 0.000) 1.667 1.504 ( 0.000 3.499 0.000) 3.499 1.554 ( 0.000 3.070 0.000) 3.070 1.572 ( -0.000 1.013 0.000) 1.013 1.590 ( -0.000 4.166 0.000) 4.166 1.612 ( 0.000 1.321 0.000) 1.321 1.674 ( 0.000 2.360 0.000) 2.360 1.684 ( 0.000 1.108 0.000) 1.108 1.737 ( 0.000 3.295 0.000) 3.295 1.752 ( 0.000 -1.711 0.000) 1.711 1.775 ( -0.000 0.827 0.000) 0.827 1.810 ( 0.000 0.628 0.000) 0.628 1.845 ( 0.000 4.247 0.000) 4.247 2.058 ( 0.000 -1.280 0.000) 1.280 2.069 ( -0.000 -0.190 0.000) 0.190 2.121 ( 0.000 -0.591 0.000) 0.591 2.179 ( 0.000 5.278 0.000) 5.278 2.194 ( 0.000 5.808 0.000) 5.808 2.305 ( -0.000 -1.364 0.000) 1.364 2.357 ( 0.000 -5.015 0.000) 5.015 2.392 ( 0.000 -2.640 0.000) 2.640 2.464 ( -0.000 1.970 0.000) 1.970 2.499 ( 0.000 0.090 0.000) 0.090 2.502 ( 0.000 4.377 0.000) 4.377 2.569 ( 0.000 -1.997 0.000) 1.997 2.623 ( 0.000 4.292 0.000) 4.292 2.664 ( 0.000 -1.377 -0.000) 1.377 2.665 ( -0.000 4.052 0.000) 4.052 2.710 ( 0.000 1.595 0.000) 1.595 2.820 ( 0.000 1.241 0.000) 1.241 2.832 ( 0.000 0.614 0.000) 0.614 2.864 ( 0.000 -4.491 0.000) 4.491 2.919 ( -0.000 -1.648 0.000) 1.648 3.086 ( 0.000 -1.077 0.000) 1.077 3.110 ( 0.000 0.758 0.000) 0.758 3.117 ( 0.000 -0.555 0.000) 0.555 3.129 ( 0.000 -1.221 0.000) 1.221 3.171 ( 0.000 1.513 0.000) 1.513 3.182 ( 0.000 0.502 0.000) 0.502 3.223 ( 0.000 1.300 0.000) 1.300 3.241 ( -0.000 0.131 0.000) 0.131 3.305 ( 0.000 -0.680 0.000) 0.680 3.343 ( 0.000 -0.267 0.000) 0.267 3.359 ( -0.000 0.195 0.000) 0.195 3.392 ( 0.000 -1.828 0.000) 1.828 3.410 ( 0.000 -2.265 0.000) 2.265 3.463 ( 0.000 -0.273 0.000) 0.273 3.495 ( 0.000 -1.214 0.000) 1.214 3.581 ( 0.000 -2.749 0.000) 2.749 3.870 ( 0.000 0.355 0.000) 0.355 3.875 ( -0.000 4.062 0.000) 4.062 3.890 ( 0.000 5.009 0.000) 5.009 3.900 ( -0.000 0.480 0.000) 0.480 3.984 ( 0.000 0.101 0.000) 0.101 4.026 ( 0.000 -1.481 0.000) 1.481 4.204 ( 0.000 2.747 0.000) 2.747 4.230 ( -0.000 2.705 0.000) 2.705 4.233 ( 0.000 3.033 0.000) 3.033 4.248 ( -0.000 3.230 0.000) 3.230 4.494 ( 0.000 -2.313 0.000) 2.313 4.559 ( 0.000 1.224 0.000) 1.224 4.605 ( 0.000 0.319 0.000) 0.319 4.632 ( 0.000 -5.214 0.000) 5.214 4.753 ( 0.000 -1.611 0.000) 1.611 4.814 ( 0.000 -4.981 0.000) 4.981 5.370 ( -0.000 0.092 0.000) 0.092 5.388 ( 0.000 0.636 0.000) 0.636 5.393 ( 0.000 0.785 0.000) 0.785 5.402 ( 0.000 -0.580 0.000) 0.580 5.700 ( 0.000 -0.976 0.000) 0.976 5.709 ( -0.000 -0.857 0.000) 0.857 5.731 ( 0.000 -2.471 0.000) 2.471 5.764 ( 0.000 -0.155 0.000) 0.155 5.852 ( 0.000 4.394 0.000) 4.394 5.858 ( -0.000 3.061 0.000) 3.061 5.864 ( 0.000 3.158 0.000) 3.158 5.898 ( 0.000 0.680 0.000) 0.680 6.326 ( 0.000 1.998 0.000) 1.998 6.337 ( 0.000 1.993 0.000) 1.993 6.346 ( 0.000 1.869 0.000) 1.869 6.349 ( 0.000 2.278 0.000) 2.278 6.804 ( 0.000 -1.572 0.000) 1.572 6.806 ( 0.000 -1.623 0.000) 1.623 6.811 ( 0.000 -1.467 0.000) 1.467 6.818 ( 0.000 -2.129 0.000) 2.129 7.138 ( 0.000 1.246 0.000) 1.246 7.147 ( 0.000 0.635 0.000) 0.635 7.155 ( 0.000 1.803 0.000) 1.803 7.168 ( 0.000 1.445 0.000) 1.445 7.418 ( -0.000 -2.087 0.000) 2.087 7.432 ( -0.000 -2.207 0.000) 2.207 7.435 ( 0.000 -2.166 -0.000) 2.166 7.480 ( 0.000 -2.471 0.000) 2.471 7.584 ( 0.000 2.533 0.000) 2.533 7.592 ( 0.000 2.637 0.000) 2.637 7.612 ( 0.000 2.639 0.000) 2.639 7.628 ( 0.000 3.774 0.000) 3.774 7.978 ( 0.000 1.819 0.000) 1.819 8.021 ( 0.000 2.330 0.000) 2.330 8.088 ( 0.000 -3.494 0.000) 3.494 8.120 ( 0.000 -3.021 0.000) 3.021 8.314 ( 0.000 -0.482 0.000) 0.482 8.350 ( 0.000 -0.505 0.000) 0.505 8.458 ( 0.000 -1.137 0.000) 1.137 8.468 ( 0.000 -1.178 0.000) 1.178 8.634 ( 0.000 -2.345 0.000) 2.345 8.676 ( 0.000 -2.522 0.000) 2.522 8.719 ( 0.000 -2.914 0.000) 2.914 8.758 ( -0.000 -3.074 0.000) 3.074 12.293 ( 0.000 -0.586 0.000) 0.586 12.304 ( 0.000 -0.620 0.000) 0.620 12.322 ( 0.000 -0.970 0.000) 0.970 12.330 ( 0.000 -0.965 0.000) 0.965 12.496 ( 0.000 -0.983 0.000) 0.983 12.500 ( -0.000 -1.014 0.000) 1.014 12.501 ( 0.000 -1.115 0.000) 1.115 12.502 ( 0.000 -0.922 0.000) 0.922 15.491 ( 0.000 1.426 0.000) 1.426 15.496 ( 0.000 1.588 0.000) 1.588 15.507 ( 0.000 1.775 0.000) 1.775 15.552 ( 0.000 2.558 0.000) 2.558 15.731 ( 0.000 3.251 0.000) 3.251 15.758 ( 0.000 4.705 0.000) 4.705 15.785 ( -0.000 0.160 0.000) 0.160 15.875 ( 0.000 0.238 0.000) 0.238 15.961 ( 0.000 1.360 0.000) 1.360 15.973 ( 0.000 2.795 0.000) 2.795 15.991 ( 0.000 4.966 0.000) 4.966 16.014 ( 0.000 5.439 0.000) 5.439 16.359 ( 0.000 3.672 0.000) 3.672 16.380 ( 0.000 3.267 0.000) 3.267 16.439 ( 0.000 -2.494 0.000) 2.494 16.547 ( 0.000 1.173 0.000) 1.173 16.560 ( 0.000 -4.907 -0.000) 4.907 16.664 ( 0.000 -5.301 0.000) 5.301 16.732 ( 0.000 -7.454 0.000) 7.454 16.918 ( 0.000 -6.290 0.000) 6.290 17.812 ( 0.000 -4.453 0.000) 4.453 17.953 ( 0.000 -5.075 0.000) 5.075 17.981 ( 0.000 -4.262 0.000) 4.262 18.090 ( 0.000 -7.594 0.000) 7.594 ======================= Grid point 10 (7/28) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.528 ( 0.000 14.875 0.000) 14.875 0.626 ( 0.000 12.811 0.000) 12.811 0.773 ( 0.000 0.641 0.000) 0.641 0.800 ( 0.000 6.457 0.000) 6.457 0.854 ( 0.000 3.229 0.000) 3.229 0.881 ( 0.000 0.855 0.000) 0.855 0.894 ( 0.000 0.957 0.000) 0.957 0.926 ( 0.000 -0.668 0.000) 0.668 0.937 ( 0.000 0.940 0.000) 0.940 0.979 ( 0.000 2.554 0.000) 2.554 0.999 ( 0.000 3.837 0.000) 3.837 1.139 ( 0.000 8.907 0.000) 8.907 1.147 ( 0.000 1.694 0.000) 1.694 1.193 ( 0.000 2.890 0.000) 2.890 1.263 ( 0.000 6.188 0.000) 6.188 1.296 ( 0.000 11.434 0.000) 11.434 1.310 ( 0.000 8.234 0.000) 8.234 1.373 ( 0.000 7.492 0.000) 7.492 1.385 ( 0.000 3.450 0.000) 3.450 1.432 ( 0.000 4.135 0.000) 4.135 1.437 ( 0.000 4.138 0.000) 4.138 1.439 ( 0.000 4.889 0.000) 4.889 1.451 ( 0.000 9.105 0.000) 9.105 1.488 ( 0.000 5.243 0.000) 5.243 1.512 ( 0.000 2.362 0.000) 2.362 1.536 ( 0.000 4.426 0.000) 4.426 1.572 ( 0.000 8.371 0.000) 8.371 1.572 ( 0.000 5.744 0.000) 5.744 1.600 ( 0.000 0.683 0.000) 0.683 1.618 ( 0.000 1.087 0.000) 1.087 1.669 ( 0.000 1.945 0.000) 1.945 1.722 ( 0.000 3.814 0.000) 3.814 1.722 ( 0.000 3.184 0.000) 3.184 1.794 ( 0.000 -0.555 0.000) 0.555 1.798 ( 0.000 2.855 0.000) 2.855 1.843 ( 0.000 1.552 0.000) 1.552 1.879 ( 0.000 4.029 0.000) 4.029 1.897 ( 0.000 0.654 0.000) 0.654 1.945 ( 0.000 3.358 0.000) 3.358 2.003 ( 0.000 7.765 0.000) 7.765 2.020 ( 0.000 0.936 0.000) 0.936 2.022 ( 0.000 7.266 0.000) 7.266 2.160 ( 0.000 0.288 0.000) 0.288 2.193 ( 0.000 -0.815 0.000) 0.815 2.201 ( 0.000 -2.774 0.000) 2.774 2.246 ( 0.000 -0.162 0.000) 0.162 2.278 ( 0.000 1.317 0.000) 1.317 2.316 ( 0.000 -0.505 0.000) 0.505 2.525 ( 0.000 3.429 0.000) 3.429 2.530 ( 0.000 0.684 0.000) 0.684 2.581 ( 0.000 2.921 0.000) 2.921 2.622 ( 0.000 2.469 0.000) 2.469 2.640 ( 0.000 2.754 0.000) 2.754 2.685 ( 0.000 0.491 0.000) 0.491 2.742 ( 0.000 3.671 0.000) 3.671 2.773 ( 0.000 1.426 0.000) 1.426 2.802 ( 0.000 0.717 0.000) 0.717 2.832 ( 0.000 1.440 0.000) 1.440 2.854 ( 0.000 0.791 0.000) 0.791 2.869 ( 0.000 2.119 0.000) 2.119 3.072 ( 0.000 -2.402 0.000) 2.402 3.081 ( 0.000 -0.922 0.000) 0.922 3.096 ( 0.000 0.050 0.000) 0.050 3.115 ( 0.000 -2.112 0.000) 2.112 3.174 ( 0.000 -2.274 0.000) 2.274 3.175 ( 0.000 -1.925 0.000) 1.925 3.199 ( 0.000 -2.839 0.000) 2.839 3.237 ( 0.000 -2.353 0.000) 2.353 3.302 ( 0.000 1.812 0.000) 1.812 3.332 ( 0.000 -0.190 0.000) 0.190 3.343 ( 0.000 0.114 0.000) 0.114 3.392 ( 0.000 -1.119 0.000) 1.119 3.437 ( 0.000 1.465 0.000) 1.465 3.476 ( 0.000 1.109 0.000) 1.109 3.494 ( 0.000 -0.829 0.000) 0.829 3.511 ( 0.000 -1.453 0.000) 1.453 3.869 ( 0.000 1.468 0.000) 1.468 3.884 ( 0.000 1.856 0.000) 1.856 3.950 ( 0.000 2.516 0.000) 2.516 3.977 ( 0.000 3.584 0.000) 3.584 3.997 ( 0.000 0.593 0.000) 0.593 4.076 ( 0.000 1.583 0.000) 1.583 4.275 ( 0.000 0.034 0.000) 0.034 4.288 ( 0.000 0.690 0.000) 0.690 4.294 ( 0.000 3.796 0.000) 3.796 4.390 ( 0.000 -0.134 0.000) 0.134 4.423 ( 0.000 -2.504 0.000) 2.504 4.445 ( 0.000 -3.810 0.000) 3.810 4.600 ( 0.000 2.015 0.000) 2.015 4.627 ( 0.000 -0.708 0.000) 0.708 4.639 ( 0.000 0.911 0.000) 0.911 4.711 ( 0.000 -1.275 0.000) 1.275 5.386 ( 0.000 0.007 0.000) 0.007 5.396 ( 0.000 -0.207 0.000) 0.207 5.400 ( 0.000 0.646 0.000) 0.646 5.410 ( 0.000 0.621 0.000) 0.621 5.688 ( 0.000 -1.630 0.000) 1.630 5.699 ( 0.000 -1.930 0.000) 1.930 5.701 ( 0.000 -2.204 0.000) 2.204 5.709 ( 0.000 -2.342 0.000) 2.342 5.930 ( 0.000 4.369 0.000) 4.369 5.931 ( 0.000 3.611 0.000) 3.611 5.949 ( 0.000 3.685 0.000) 3.685 5.970 ( 0.000 2.072 0.000) 2.072 6.381 ( 0.000 2.252 0.000) 2.252 6.381 ( 0.000 2.122 0.000) 2.122 6.387 ( 0.000 2.304 0.000) 2.304 6.392 ( 0.000 2.207 0.000) 2.207 6.760 ( 0.000 -2.203 0.000) 2.203 6.765 ( 0.000 -1.966 0.000) 1.966 6.766 ( 0.000 -2.018 0.000) 2.018 6.770 ( 0.000 -1.927 0.000) 1.927 7.163 ( 0.000 1.267 0.000) 1.267 7.172 ( 0.000 0.871 0.000) 0.871 7.178 ( 0.000 1.000 0.000) 1.000 7.184 ( 0.000 1.257 0.000) 1.257 7.381 ( 0.000 -2.279 0.000) 2.279 7.385 ( 0.000 -2.289 0.000) 2.289 7.388 ( 0.000 -2.179 0.000) 2.179 7.408 ( 0.000 -2.939 0.000) 2.939 7.656 ( 0.000 3.310 0.000) 3.310 7.660 ( 0.000 3.257 0.000) 3.257 7.676 ( 0.000 2.842 0.000) 2.842 7.680 ( 0.000 2.857 0.000) 2.857 8.019 ( 0.000 1.302 0.000) 1.302 8.049 ( 0.000 -0.900 0.000) 0.900 8.063 ( 0.000 -0.806 0.000) 0.806 8.078 ( 0.000 -0.070 0.000) 0.070 8.311 ( 0.000 0.237 0.000) 0.237 8.345 ( 0.000 -1.113 0.000) 1.113 8.419 ( 0.000 -2.061 0.000) 2.061 8.437 ( 0.000 -2.146 0.000) 2.146 8.594 ( 0.000 -2.301 0.000) 2.301 8.615 ( 0.000 -2.480 0.000) 2.480 8.632 ( 0.000 -3.369 0.000) 3.369 8.661 ( 0.000 -3.447 0.000) 3.447 12.280 ( 0.000 -0.637 0.000) 0.637 12.285 ( 0.000 -0.648 0.000) 0.648 12.297 ( 0.000 -1.098 0.000) 1.098 12.305 ( 0.000 -1.289 0.000) 1.289 12.475 ( 0.000 -1.188 0.000) 1.188 12.476 ( 0.000 -1.223 0.000) 1.223 12.477 ( 0.000 -1.165 0.000) 1.165 12.477 ( 0.000 -1.146 0.000) 1.146 15.477 ( 0.000 -1.158 0.000) 1.158 15.500 ( 0.000 -2.334 0.000) 2.334 15.526 ( 0.000 -0.666 0.000) 0.666 15.548 ( 0.000 -2.386 0.000) 2.386 15.797 ( 0.000 3.641 0.000) 3.641 15.808 ( 0.000 2.718 0.000) 2.718 15.847 ( 0.000 4.798 0.000) 4.798 15.915 ( 0.000 2.909 0.000) 2.909 15.985 ( 0.000 2.537 0.000) 2.537 16.069 ( 0.000 2.786 0.000) 2.786 16.070 ( 0.000 3.403 0.000) 3.403 16.184 ( 0.000 0.106 0.000) 0.106 16.351 ( 0.000 -3.586 0.000) 3.586 16.369 ( 0.000 -4.331 0.000) 4.331 16.475 ( 0.000 -6.741 0.000) 6.741 16.488 ( 0.000 3.270 0.000) 3.270 16.518 ( 0.000 -8.433 0.000) 8.433 16.596 ( 0.000 0.750 0.000) 0.750 16.699 ( 0.000 0.338 0.000) 0.338 16.736 ( 0.000 0.591 0.000) 0.591 17.702 ( 0.000 -2.605 0.000) 2.605 17.814 ( 0.000 -5.807 0.000) 5.807 17.889 ( 0.000 -6.356 0.000) 6.356 17.906 ( 0.000 -6.009 0.000) 6.009 ======================= Grid point 11 (8/28) ======================= q-point: ( 0.25 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( 3.352 10.568 3.068) 11.503 0.667 ( 5.278 7.817 0.877) 9.473 0.749 ( -1.429 4.160 -0.518) 4.429 0.831 ( 2.105 4.583 -0.281) 5.051 0.853 ( -0.071 1.969 -0.391) 2.009 0.884 ( 0.425 1.028 0.346) 1.165 0.907 ( -0.076 1.305 0.367) 1.358 0.919 ( -0.361 -0.461 0.537) 0.795 0.947 ( 3.147 1.326 -1.547) 3.749 1.004 ( 3.238 5.826 -0.812) 6.714 1.016 ( -0.230 1.891 3.835) 4.281 1.089 ( -2.595 5.137 4.369) 7.225 1.190 ( 0.014 2.772 -0.836) 2.896 1.225 ( 1.289 3.953 -0.275) 4.167 1.251 ( -0.630 7.585 -5.348) 9.302 1.290 ( -2.095 6.569 -0.527) 6.915 1.322 ( 0.303 12.842 0.829) 12.873 1.357 ( -0.414 5.053 0.731) 5.123 1.370 ( 1.415 -0.521 -0.385) 1.557 1.410 ( -0.808 1.344 0.578) 1.671 1.440 ( -0.068 7.441 -0.721) 7.476 1.453 ( 0.716 5.099 1.072) 5.260 1.477 ( 1.385 3.819 1.125) 4.215 1.486 ( -0.431 7.234 0.067) 7.248 1.502 ( 1.106 1.181 1.386) 2.130 1.552 ( -0.096 6.592 1.444) 6.749 1.555 ( -0.521 2.101 -0.238) 2.178 1.586 ( 1.615 9.648 -0.108) 9.783 1.614 ( 1.036 1.590 -0.655) 2.008 1.637 ( 0.469 3.602 -0.807) 3.721 1.656 ( -1.219 2.792 -2.020) 3.655 1.667 ( 0.222 1.613 -0.725) 1.782 1.728 ( 0.001 5.544 0.346) 5.555 1.762 ( -0.902 5.051 -3.138) 6.014 1.784 ( 0.614 3.678 -1.805) 4.142 1.821 ( -1.341 2.828 -2.096) 3.767 1.877 ( -0.895 4.148 -1.234) 4.419 1.890 ( -3.262 2.504 -0.126) 4.114 1.937 ( -2.873 7.628 -1.425) 8.275 1.942 ( -1.734 4.933 0.561) 5.259 2.028 ( 0.294 4.659 3.688) 5.949 2.038 ( 0.139 0.901 0.834) 1.236 2.142 ( -0.681 0.077 -1.169) 1.355 2.223 ( 2.057 -2.237 0.016) 3.039 2.226 ( 1.780 -2.895 0.592) 3.449 2.261 ( 0.257 -0.138 0.661) 0.723 2.269 ( 0.167 0.200 -0.367) 0.451 2.311 ( -0.730 -2.052 -0.414) 2.216 2.501 ( -1.461 2.324 1.029) 2.932 2.542 ( -0.784 2.503 0.644) 2.701 2.584 ( 0.001 2.928 0.676) 3.005 2.613 ( -1.194 4.028 -0.238) 4.208 2.652 ( 1.299 1.954 0.037) 2.347 2.704 ( 0.866 0.212 0.410) 0.981 2.743 ( 0.651 3.219 -0.408) 3.309 2.760 ( 1.025 2.600 -0.901) 2.937 2.802 ( -1.030 0.862 -0.234) 1.364 2.844 ( 0.380 1.845 0.719) 2.016 2.854 ( 0.331 0.478 0.044) 0.583 2.883 ( 0.684 1.245 0.534) 1.517 3.067 ( -0.221 -1.572 0.726) 1.745 3.085 ( -0.116 -0.710 0.002) 0.720 3.091 ( 0.205 -1.080 -0.442) 1.185 3.109 ( -0.066 -1.858 -0.383) 1.899 3.179 ( -0.666 -1.587 -0.042) 1.722 3.194 ( 0.525 -2.488 1.279) 2.847 3.208 ( 1.440 -1.125 0.577) 1.916 3.223 ( -0.558 -2.056 -1.344) 2.519 3.317 ( 0.970 1.168 0.216) 1.533 3.329 ( 0.209 0.435 -0.469) 0.673 3.343 ( 0.050 -0.103 0.689) 0.699 3.384 ( -0.665 -0.945 -0.744) 1.374 3.418 ( -1.560 1.497 -0.387) 2.196 3.460 ( -1.241 0.711 0.626) 1.561 3.490 ( -0.391 -0.647 -0.674) 1.013 3.514 ( 0.211 -2.066 0.342) 2.105 3.872 ( 0.438 1.097 0.025) 1.182 3.898 ( 1.045 1.200 0.336) 1.627 3.961 ( 0.523 2.426 0.408) 2.515 3.965 ( -1.000 1.908 -0.626) 2.243 3.996 ( -0.479 1.208 0.620) 1.440 4.052 ( -1.799 2.246 -0.726) 2.968 4.261 ( -0.565 1.259 -0.199) 1.394 4.285 ( -0.394 0.679 0.216) 0.815 4.302 ( -0.915 3.094 0.596) 3.281 4.330 ( -1.158 2.616 -0.735) 2.954 4.428 ( 0.618 -2.875 -0.556) 2.993 4.491 ( 0.673 -5.607 1.381) 5.813 4.599 ( -0.478 2.192 0.436) 2.286 4.621 ( -1.108 0.504 0.605) 1.359 4.679 ( 4.448 -1.258 -0.356) 4.636 4.719 ( 1.683 -2.183 -1.704) 3.241 5.380 ( -0.315 0.072 -0.292) 0.436 5.389 ( 0.004 0.112 -0.114) 0.160 5.404 ( -0.075 0.502 0.275) 0.578 5.412 ( -0.260 0.417 0.104) 0.502 5.680 ( -0.616 -1.523 -0.172) 1.651 5.684 ( -0.450 -1.554 -0.138) 1.624 5.697 ( -0.869 -2.104 -0.194) 2.285 5.721 ( 0.418 -2.529 0.723) 2.663 5.931 ( 0.014 3.656 0.013) 3.656 5.938 ( 0.463 4.139 0.330) 4.178 5.945 ( -0.309 3.655 -0.104) 3.670 5.959 ( -0.442 3.043 -0.613) 3.135 6.378 ( -0.264 2.473 0.110) 2.489 6.386 ( 0.046 2.322 -0.116) 2.325 6.387 ( 0.126 2.054 0.283) 2.077 6.394 ( 0.333 2.136 -0.114) 2.165 6.763 ( 0.066 -2.104 -0.090) 2.107 6.765 ( 0.262 -2.120 0.123) 2.140 6.767 ( 0.067 -1.875 -0.166) 1.883 6.771 ( 0.277 -1.981 0.084) 2.002 7.161 ( -0.119 1.097 0.024) 1.104 7.169 ( -0.294 0.760 0.040) 0.816 7.187 ( 0.573 1.248 0.093) 1.377 7.190 ( 0.610 1.192 -0.111) 1.343 7.373 ( -0.238 -2.287 -0.309) 2.320 7.383 ( 0.086 -2.195 -0.151) 2.202 7.391 ( -0.007 -2.065 -0.169) 2.072 7.412 ( 0.326 -3.188 0.182) 3.210 7.652 ( -0.403 3.267 -0.066) 3.293 7.657 ( -0.082 3.297 0.139) 3.301 7.675 ( 0.149 2.867 -0.308) 2.887 7.695 ( 0.826 2.875 0.322) 3.008 8.017 ( -0.365 1.273 0.154) 1.334 8.030 ( -0.996 -0.720 0.023) 1.229 8.057 ( -0.745 -1.044 0.312) 1.320 8.077 ( -0.295 -0.865 -0.697) 1.150 8.313 ( 0.427 0.513 -0.378) 0.767 8.343 ( 0.226 -0.556 -0.340) 0.690 8.427 ( 0.460 -1.986 0.090) 2.040 8.434 ( 0.032 -1.869 -0.252) 1.886 8.589 ( -0.032 -2.129 -0.489) 2.185 8.612 ( 0.506 -2.619 -0.176) 2.673 8.652 ( -0.377 -3.554 0.187) 3.579 8.661 ( 0.569 -3.907 1.162) 4.115 12.282 ( 0.014 -0.576 -0.123) 0.590 12.284 ( 0.242 -0.678 0.036) 0.721 12.301 ( 0.174 -1.152 0.179) 1.179 12.303 ( -0.135 -1.225 -0.110) 1.237 12.474 ( -0.156 -1.160 0.012) 1.170 12.475 ( -0.076 -1.183 -0.021) 1.185 12.476 ( -0.043 -1.225 0.036) 1.226 12.478 ( -0.017 -1.148 0.057) 1.150 15.486 ( 0.314 -1.031 0.725) 1.299 15.501 ( -0.305 -1.574 0.116) 1.608 15.520 ( 0.049 -1.451 -0.614) 1.577 15.550 ( 0.254 -2.159 -0.027) 2.174 15.805 ( 0.636 3.825 0.308) 3.890 15.816 ( 0.205 2.583 0.619) 2.664 15.851 ( 0.561 4.267 -0.137) 4.306 15.896 ( -0.750 2.747 -1.129) 3.063 15.997 ( 0.132 2.473 1.093) 2.707 16.060 ( -0.427 3.611 -0.244) 3.644 16.073 ( -0.235 2.808 0.204) 2.825 16.152 ( -2.043 1.903 -1.403) 3.124 16.361 ( -0.030 -3.996 0.604) 4.042 16.380 ( 1.184 -4.249 0.410) 4.430 16.448 ( -1.700 -3.739 -1.553) 4.391 16.495 ( -0.044 3.399 0.648) 3.461 16.519 ( 1.578 -8.472 0.005) 8.618 16.596 ( 0.475 0.625 -1.024) 1.290 16.632 ( -3.118 2.288 -1.102) 4.021 16.785 ( 0.960 -2.838 1.832) 3.512 17.713 ( 1.615 -3.427 -0.975) 3.912 17.821 ( 0.238 -6.017 0.510) 6.043 17.880 ( -0.632 -5.516 0.122) 5.553 17.914 ( 1.119 -7.063 -0.669) 7.182 ======================= Grid point 12 (9/28) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 25 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( -0.000 3.053 0.000) 3.053 0.695 ( 0.000 7.358 0.000) 7.358 0.787 ( -0.000 6.281 0.000) 6.281 0.821 ( 0.000 3.088 0.000) 3.088 0.847 ( 0.000 2.340 0.000) 2.340 0.892 ( 0.000 -0.209 0.000) 0.209 0.905 ( 0.000 0.997 0.000) 0.997 0.915 ( -0.000 -0.492 0.000) 0.492 0.986 ( 0.000 2.252 0.000) 2.252 1.068 ( 0.000 4.761 0.000) 4.761 1.079 ( 0.000 6.870 0.000) 6.870 1.133 ( -0.000 5.991 0.000) 5.991 1.142 ( 0.000 5.779 -0.000) 5.779 1.155 ( 0.000 2.406 -0.000) 2.406 1.201 ( 0.000 5.699 0.000) 5.699 1.276 ( 0.000 4.453 0.000) 4.453 1.314 ( 0.000 6.761 -0.000) 6.761 1.360 ( -0.000 0.951 0.000) 0.951 1.384 ( 0.000 6.932 0.000) 6.932 1.410 ( 0.000 0.349 0.000) 0.349 1.428 ( 0.000 1.583 0.000) 1.583 1.470 ( -0.000 4.673 0.000) 4.673 1.515 ( 0.000 0.861 0.000) 0.861 1.521 ( 0.000 8.778 -0.000) 8.778 1.530 ( 0.000 2.277 0.000) 2.277 1.561 ( -0.000 2.649 0.000) 2.649 1.573 ( -0.000 3.575 0.000) 3.575 1.573 ( 0.000 5.813 -0.000) 5.813 1.602 ( 0.000 2.749 0.000) 2.749 1.629 ( 0.000 4.334 0.000) 4.334 1.648 ( -0.000 6.726 0.000) 6.726 1.671 ( 0.000 4.460 0.000) 4.460 1.716 ( 0.000 5.568 0.000) 5.568 1.753 ( 0.000 9.183 0.000) 9.183 1.766 ( -0.000 8.739 -0.000) 8.739 1.785 ( -0.000 2.595 -0.000) 2.595 1.803 ( 0.000 6.661 0.000) 6.661 1.877 ( -0.000 9.638 0.000) 9.638 1.881 ( 0.000 4.373 -0.000) 4.373 1.938 ( 0.000 2.841 0.000) 2.841 2.045 ( 0.000 0.270 0.000) 0.270 2.084 ( 0.000 2.142 0.000) 2.142 2.117 ( 0.000 -0.369 0.000) 0.369 2.239 ( 0.000 -4.557 0.000) 4.557 2.250 ( 0.000 0.399 0.000) 0.399 2.266 ( 0.000 -2.016 -0.000) 2.016 2.273 ( 0.000 0.375 0.000) 0.375 2.294 ( 0.000 -4.476 0.000) 4.476 2.499 ( 0.000 1.471 0.000) 1.471 2.542 ( 0.000 3.829 0.000) 3.829 2.588 ( 0.000 3.215 -0.000) 3.215 2.595 ( 0.000 4.227 0.000) 4.227 2.667 ( 0.000 2.272 0.000) 2.272 2.705 ( 0.000 1.761 0.000) 1.761 2.759 ( 0.000 2.640 0.000) 2.640 2.766 ( 0.000 3.190 0.000) 3.190 2.787 ( 0.000 -0.704 0.000) 0.704 2.848 ( 0.000 1.742 0.000) 1.742 2.860 ( 0.000 1.554 0.000) 1.554 2.893 ( 0.000 0.143 0.000) 0.143 3.071 ( 0.000 -0.193 0.000) 0.193 3.088 ( 0.000 -1.818 0.000) 1.818 3.096 ( -0.000 -1.198 0.000) 1.198 3.108 ( 0.000 -1.203 0.000) 1.203 3.173 ( 0.000 -1.816 0.000) 1.816 3.179 ( -0.000 -1.244 -0.000) 1.244 3.215 ( 0.000 -2.159 0.000) 2.159 3.238 ( 0.000 -0.359 0.000) 0.359 3.327 ( 0.000 1.989 0.000) 1.989 3.340 ( -0.000 -0.202 0.000) 0.202 3.354 ( -0.000 -0.536 0.000) 0.536 3.357 ( 0.000 -0.895 0.000) 0.895 3.398 ( 0.000 1.284 0.000) 1.284 3.463 ( 0.000 0.396 -0.000) 0.396 3.470 ( 0.000 -0.803 0.000) 0.803 3.521 ( 0.000 -2.528 0.000) 2.528 3.879 ( 0.000 0.591 0.000) 0.591 3.913 ( 0.000 0.671 0.000) 0.671 3.945 ( 0.000 0.979 0.000) 0.979 3.968 ( 0.000 2.567 0.000) 2.567 3.996 ( 0.000 0.507 0.000) 0.507 4.027 ( 0.000 3.515 0.000) 3.515 4.256 ( 0.000 1.233 0.000) 1.233 4.283 ( -0.000 0.635 0.000) 0.635 4.298 ( 0.000 3.527 0.000) 3.527 4.319 ( 0.000 3.423 0.000) 3.423 4.428 ( 0.000 -3.277 0.000) 3.277 4.505 ( 0.000 -5.913 0.000) 5.913 4.597 ( 0.000 2.106 0.000) 2.106 4.623 ( 0.000 1.431 0.000) 1.431 4.714 ( 0.000 -3.041 0.000) 3.041 4.721 ( 0.000 -2.248 0.000) 2.248 5.375 ( 0.000 0.316 0.000) 0.316 5.393 ( -0.000 -0.108 0.000) 0.108 5.401 ( 0.000 0.367 0.000) 0.367 5.409 ( 0.000 0.561 0.000) 0.561 5.673 ( 0.000 -1.475 0.000) 1.475 5.681 ( 0.000 -1.573 0.000) 1.573 5.685 ( 0.000 -1.702 0.000) 1.702 5.730 ( 0.000 -2.576 0.000) 2.576 5.931 ( 0.000 3.614 0.000) 3.614 5.943 ( 0.000 3.928 0.000) 3.928 5.944 ( -0.000 3.291 0.000) 3.291 5.949 ( 0.000 4.098 0.000) 4.098 6.377 ( 0.000 2.548 0.000) 2.548 6.385 ( 0.000 2.365 0.000) 2.365 6.390 ( 0.000 2.075 0.000) 2.075 6.397 ( 0.000 2.066 0.000) 2.066 6.763 ( 0.000 -2.021 0.000) 2.021 6.766 ( 0.000 -1.958 0.000) 1.958 6.770 ( 0.000 -2.160 0.000) 2.160 6.774 ( 0.000 -1.954 0.000) 1.954 7.163 ( 0.000 0.718 0.000) 0.718 7.164 ( -0.000 1.045 0.000) 1.045 7.192 ( 0.000 1.448 0.000) 1.448 7.196 ( 0.000 1.122 0.000) 1.122 7.369 ( 0.000 -2.292 0.000) 2.292 7.384 ( -0.000 -2.081 0.000) 2.081 7.387 ( 0.000 -2.126 0.000) 2.126 7.417 ( 0.000 -3.287 0.000) 3.287 7.647 ( 0.000 3.194 0.000) 3.194 7.658 ( 0.000 3.385 0.000) 3.385 7.674 ( 0.000 2.870 0.000) 2.870 7.704 ( 0.000 3.038 0.000) 3.038 8.014 ( 0.000 1.268 -0.000) 1.268 8.027 ( 0.000 -1.862 0.000) 1.862 8.054 ( 0.000 0.489 0.000) 0.489 8.060 ( 0.000 -2.194 -0.000) 2.194 8.314 ( 0.000 0.665 0.000) 0.665 8.343 ( 0.000 0.036 0.000) 0.036 8.427 ( 0.000 -1.784 0.000) 1.784 8.437 ( 0.000 -1.731 0.000) 1.731 8.585 ( 0.000 -1.985 0.000) 1.985 8.618 ( 0.000 -2.658 0.000) 2.658 8.646 ( 0.000 -3.668 0.000) 3.668 8.678 ( 0.000 -4.239 0.000) 4.239 12.281 ( 0.000 -0.507 0.000) 0.507 12.288 ( 0.000 -0.764 0.000) 0.764 12.300 ( 0.000 -1.081 0.000) 1.081 12.305 ( 0.000 -1.251 0.000) 1.251 12.472 ( 0.000 -1.144 0.000) 1.144 12.475 ( 0.000 -1.186 0.000) 1.186 12.476 ( 0.000 -1.217 0.000) 1.217 12.479 ( 0.000 -1.151 0.000) 1.151 15.496 ( 0.000 -1.186 0.000) 1.186 15.498 ( 0.000 -0.959 0.000) 0.959 15.514 ( -0.000 -1.403 0.000) 1.403 15.553 ( 0.000 -2.330 0.000) 2.330 15.817 ( 0.000 4.193 -0.000) 4.193 15.822 ( -0.000 2.857 0.000) 2.857 15.854 ( 0.000 3.876 0.000) 3.876 15.882 ( 0.000 1.436 0.000) 1.436 16.006 ( 0.000 2.863 0.000) 2.863 16.051 ( 0.000 4.289 0.000) 4.289 16.071 ( -0.000 2.496 0.000) 2.496 16.119 ( 0.000 3.731 0.000) 3.731 16.365 ( 0.000 -4.442 0.000) 4.442 16.396 ( 0.000 -4.523 0.000) 4.523 16.423 ( 0.000 -2.627 0.000) 2.627 16.500 ( -0.000 3.414 0.000) 3.414 16.535 ( 0.000 -7.218 0.000) 7.218 16.592 ( -0.000 -0.156 0.000) 0.156 16.596 ( 0.000 2.134 0.000) 2.134 16.805 ( 0.000 -3.848 0.000) 3.848 17.719 ( 0.000 -3.768 0.000) 3.768 17.828 ( 0.000 -6.268 0.000) 6.268 17.876 ( 0.000 -5.156 0.000) 5.156 17.919 ( 0.000 -7.652 0.000) 7.652 ======================= Grid point 15 (10/28) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( 0.000 4.436 0.000) 4.436 0.779 ( 0.000 -0.324 0.000) 0.324 0.828 ( 0.000 5.986 0.000) 5.986 0.873 ( 0.000 -1.115 0.000) 1.115 0.888 ( 0.000 0.970 0.000) 0.970 0.897 ( 0.000 2.555 0.000) 2.555 0.898 ( 0.000 -0.314 0.000) 0.314 0.923 ( 0.000 0.091 0.000) 0.091 0.976 ( 0.000 3.529 0.000) 3.529 1.068 ( 0.000 8.553 0.000) 8.553 1.105 ( 0.000 -5.548 0.000) 5.548 1.154 ( 0.000 6.869 0.000) 6.869 1.209 ( 0.000 -2.496 0.000) 2.496 1.250 ( 0.000 -4.207 0.000) 4.207 1.313 ( 0.000 6.188 0.000) 6.188 1.328 ( 0.000 2.087 0.000) 2.087 1.396 ( 0.000 0.045 0.000) 0.045 1.417 ( 0.000 -1.593 0.000) 1.593 1.470 ( 0.000 3.068 0.000) 3.068 1.498 ( 0.000 2.131 0.000) 2.131 1.503 ( 0.000 1.765 0.000) 1.765 1.520 ( 0.000 1.256 0.000) 1.256 1.542 ( 0.000 -0.176 0.000) 0.176 1.562 ( 0.000 -0.553 0.000) 0.553 1.600 ( 0.000 1.383 0.000) 1.383 1.620 ( 0.000 5.701 0.000) 5.701 1.628 ( 0.000 -2.616 0.000) 2.616 1.660 ( 0.000 3.859 0.000) 3.859 1.667 ( 0.000 5.665 0.000) 5.665 1.716 ( 0.000 1.943 0.000) 1.943 1.721 ( 0.000 0.346 0.000) 0.346 1.737 ( 0.000 -1.479 0.000) 1.479 1.775 ( 0.000 0.845 0.000) 0.845 1.797 ( 0.000 7.671 0.000) 7.671 1.852 ( 0.000 1.513 0.000) 1.513 1.863 ( 0.000 -4.852 0.000) 4.852 1.935 ( 0.000 0.655 0.000) 0.655 1.954 ( 0.000 1.060 0.000) 1.060 2.007 ( 0.000 7.514 0.000) 7.514 2.036 ( 0.000 2.414 0.000) 2.414 2.084 ( 0.000 -0.147 0.000) 0.147 2.129 ( 0.000 -1.630 0.000) 1.630 2.156 ( 0.000 0.572 0.000) 0.572 2.187 ( 0.000 -2.041 0.000) 2.041 2.217 ( 0.000 1.265 0.000) 1.265 2.227 ( 0.000 1.746 0.000) 1.746 2.314 ( 0.000 2.999 0.000) 2.999 2.336 ( 0.000 1.072 0.000) 1.072 2.550 ( 0.000 1.468 0.000) 1.468 2.582 ( 0.000 -0.019 0.000) 0.019 2.603 ( 0.000 0.402 0.000) 0.402 2.624 ( 0.000 -0.804 0.000) 0.804 2.712 ( 0.000 2.839 0.000) 2.839 2.720 ( 0.000 2.531 0.000) 2.531 2.806 ( 0.000 1.688 0.000) 1.688 2.826 ( 0.000 1.607 0.000) 1.607 2.837 ( 0.000 3.839 0.000) 3.839 2.871 ( 0.000 1.138 0.000) 1.138 2.874 ( 0.000 1.288 0.000) 1.288 2.907 ( 0.000 0.348 0.000) 0.348 3.023 ( 0.000 -1.566 0.000) 1.566 3.049 ( 0.000 -1.579 0.000) 1.579 3.053 ( 0.000 -3.908 0.000) 3.908 3.061 ( 0.000 -2.402 0.000) 2.402 3.148 ( 0.000 -0.330 0.000) 0.330 3.149 ( 0.000 -0.355 0.000) 0.355 3.158 ( 0.000 -0.062 0.000) 0.062 3.185 ( 0.000 -2.159 0.000) 2.159 3.323 ( 0.000 0.401 0.000) 0.401 3.330 ( 0.000 -0.290 0.000) 0.290 3.342 ( 0.000 0.295 0.000) 0.295 3.365 ( 0.000 -1.597 0.000) 1.597 3.475 ( 0.000 1.443 0.000) 1.443 3.487 ( 0.000 -0.041 0.000) 0.041 3.500 ( 0.000 0.713 0.000) 0.713 3.500 ( 0.000 0.319 0.000) 0.319 3.914 ( 0.000 2.635 0.000) 2.635 3.936 ( 0.000 2.746 0.000) 2.746 3.964 ( 0.000 -1.735 0.000) 1.735 3.977 ( 0.000 -0.784 0.000) 0.784 4.094 ( 0.000 5.868 0.000) 5.868 4.128 ( 0.000 3.802 0.000) 3.802 4.214 ( 0.000 -5.185 0.000) 5.185 4.232 ( 0.000 -5.446 0.000) 5.446 4.357 ( 0.000 2.173 0.000) 2.173 4.387 ( 0.000 -1.015 0.000) 1.015 4.395 ( 0.000 0.385 0.000) 0.385 4.400 ( 0.000 -0.323 0.000) 0.323 4.632 ( 0.000 0.872 0.000) 0.872 4.634 ( 0.000 0.565 0.000) 0.565 4.669 ( 0.000 1.388 0.000) 1.388 4.690 ( 0.000 -0.813 0.000) 0.813 5.392 ( 0.000 0.547 0.000) 0.547 5.399 ( 0.000 0.451 0.000) 0.451 5.403 ( 0.000 -0.322 0.000) 0.322 5.410 ( 0.000 -0.469 0.000) 0.469 5.662 ( 0.000 -0.691 0.000) 0.691 5.665 ( 0.000 -1.019 0.000) 1.019 5.669 ( 0.000 -0.795 0.000) 0.795 5.671 ( 0.000 -1.060 0.000) 1.060 5.993 ( 0.000 1.866 0.000) 1.866 5.997 ( 0.000 1.590 0.000) 1.590 6.008 ( 0.000 1.604 0.000) 1.604 6.009 ( 0.000 1.331 0.000) 1.331 6.416 ( 0.000 0.990 0.000) 0.990 6.417 ( 0.000 0.923 0.000) 0.923 6.424 ( 0.000 1.012 0.000) 1.012 6.425 ( 0.000 0.857 0.000) 0.857 6.728 ( 0.000 -0.686 0.000) 0.686 6.732 ( 0.000 -1.003 0.000) 1.003 6.732 ( 0.000 -0.892 0.000) 0.892 6.735 ( 0.000 -1.168 0.000) 1.168 7.182 ( 0.000 0.482 0.000) 0.482 7.184 ( 0.000 0.254 0.000) 0.254 7.196 ( 0.000 0.578 0.000) 0.578 7.199 ( 0.000 0.279 0.000) 0.279 7.345 ( 0.000 -0.949 0.000) 0.949 7.349 ( 0.000 -1.296 0.000) 1.296 7.354 ( 0.000 -0.540 0.000) 0.540 7.362 ( 0.000 -1.290 0.000) 1.290 7.711 ( 0.000 1.757 0.000) 1.757 7.714 ( 0.000 1.625 0.000) 1.625 7.719 ( 0.000 1.051 0.000) 1.051 7.722 ( 0.000 0.874 0.000) 0.874 8.036 ( 0.000 0.322 0.000) 0.322 8.039 ( 0.000 -0.141 0.000) 0.141 8.057 ( 0.000 0.237 0.000) 0.237 8.069 ( 0.000 -0.715 0.000) 0.715 8.333 ( 0.000 1.858 0.000) 1.858 8.343 ( 0.000 0.949 0.000) 0.949 8.375 ( 0.000 -2.061 0.000) 2.061 8.385 ( 0.000 -2.731 0.000) 2.731 8.566 ( 0.000 -0.260 0.000) 0.260 8.576 ( 0.000 -0.859 0.000) 0.859 8.577 ( 0.000 -1.568 0.000) 1.568 8.595 ( 0.000 -2.458 0.000) 2.458 12.273 ( 0.000 0.019 0.000) 0.019 12.276 ( 0.000 -0.145 0.000) 0.145 12.279 ( 0.000 -0.544 0.000) 0.544 12.283 ( 0.000 -0.805 0.000) 0.805 12.457 ( 0.000 -0.482 0.000) 0.482 12.457 ( 0.000 -0.508 0.000) 0.508 12.458 ( 0.000 -0.536 0.000) 0.536 12.458 ( 0.000 -0.535 0.000) 0.535 15.447 ( 0.000 -1.011 0.000) 1.011 15.453 ( 0.000 -1.577 0.000) 1.577 15.501 ( 0.000 -1.057 0.000) 1.057 15.503 ( 0.000 -1.386 0.000) 1.386 15.852 ( 0.000 1.210 0.000) 1.210 15.852 ( 0.000 1.302 0.000) 1.302 15.930 ( 0.000 2.842 0.000) 2.842 15.956 ( 0.000 0.470 0.000) 0.470 16.050 ( 0.000 3.316 0.000) 3.316 16.095 ( 0.000 -0.370 0.000) 0.370 16.142 ( 0.000 2.958 0.000) 2.958 16.178 ( 0.000 -1.004 0.000) 1.004 16.286 ( 0.000 -1.114 0.000) 1.114 16.290 ( 0.000 -2.155 0.000) 2.155 16.358 ( 0.000 -3.826 0.000) 3.826 16.364 ( 0.000 -5.125 0.000) 5.125 16.573 ( 0.000 3.276 0.000) 3.276 16.608 ( 0.000 -0.197 0.000) 0.197 16.720 ( 0.000 1.373 0.000) 1.373 16.740 ( 0.000 -0.342 0.000) 0.342 17.671 ( 0.000 0.025 0.000) 0.025 17.710 ( 0.000 -3.713 0.000) 3.713 17.796 ( 0.000 -2.100 0.000) 2.100 17.807 ( 0.000 -2.966 0.000) 2.966 ======================= Grid point 16 (11/28) ======================= q-point: ( 0.25 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( -0.813 2.403 -1.264) 2.835 0.759 ( 1.292 1.628 -0.026) 2.078 0.852 ( 1.357 1.662 -0.350) 2.174 0.864 ( 0.170 0.252 -1.159) 1.198 0.884 ( 0.043 0.778 -0.068) 0.782 0.890 ( 0.110 1.240 -0.530) 1.353 0.911 ( 0.186 -0.007 0.559) 0.589 0.921 ( -0.255 -0.045 -0.107) 0.280 1.041 ( 2.827 4.911 4.862) 7.467 1.086 ( 0.547 5.781 2.317) 6.252 1.121 ( -1.327 2.739 0.895) 3.172 1.175 ( 2.454 3.459 -0.332) 4.254 1.206 ( 1.276 -1.048 0.544) 1.739 1.263 ( 0.837 -3.773 -0.044) 3.865 1.279 ( -0.827 0.354 1.262) 1.550 1.320 ( -1.761 -1.665 -2.568) 3.531 1.370 ( -1.102 1.942 -0.135) 2.237 1.399 ( -1.252 -0.635 0.180) 1.415 1.451 ( -1.422 4.478 -1.295) 4.874 1.494 ( 0.606 2.740 -0.959) 2.966 1.514 ( -1.644 0.544 0.630) 1.843 1.528 ( -1.055 2.302 0.645) 2.613 1.552 ( -0.364 2.124 -0.068) 2.156 1.555 ( -0.985 2.659 0.521) 2.883 1.575 ( -1.046 2.196 -0.849) 2.577 1.606 ( 0.565 0.239 -0.414) 0.740 1.633 ( -0.217 2.133 -2.611) 3.378 1.652 ( -0.504 1.464 1.176) 1.944 1.668 ( 2.555 -0.088 -1.622) 3.028 1.681 ( -0.643 0.556 -2.555) 2.692 1.713 ( 1.897 3.167 -0.833) 3.784 1.767 ( 2.692 0.853 0.960) 2.983 1.810 ( 2.472 0.548 0.589) 2.600 1.815 ( 0.773 5.057 -0.286) 5.124 1.839 ( -1.868 1.424 1.353) 2.711 1.886 ( 0.008 -2.486 1.162) 2.744 1.922 ( -0.495 2.189 0.536) 2.308 1.959 ( 0.062 1.427 -0.098) 1.431 2.010 ( -0.743 5.326 -0.089) 5.378 2.043 ( 0.402 3.419 0.933) 3.566 2.084 ( -0.650 1.589 0.846) 1.914 2.130 ( -1.056 0.988 0.171) 1.456 2.161 ( 1.886 1.925 -1.437) 3.054 2.186 ( -0.105 -0.774 -0.017) 0.781 2.220 ( 0.432 -2.114 0.371) 2.189 2.223 ( -0.429 -0.614 -0.194) 0.774 2.271 ( -2.200 2.318 -2.154) 3.854 2.299 ( -2.058 0.118 -1.739) 2.696 2.543 ( -1.051 2.332 0.792) 2.677 2.593 ( -0.023 -1.028 -0.147) 1.039 2.608 ( 0.686 1.755 1.783) 2.594 2.649 ( 1.675 -1.487 0.524) 2.300 2.719 ( 0.266 3.986 0.508) 4.027 2.736 ( 0.271 3.273 0.972) 3.425 2.800 ( -0.630 1.443 -0.847) 1.788 2.805 ( -0.602 0.395 -0.584) 0.927 2.837 ( 0.318 3.227 -0.425) 3.270 2.866 ( 0.228 0.932 -0.251) 0.991 2.893 ( 0.732 1.399 0.067) 1.580 2.913 ( 0.488 0.102 -0.119) 0.513 3.033 ( 1.308 -0.945 0.461) 1.678 3.050 ( 0.485 -1.465 -0.436) 1.604 3.060 ( 0.671 -2.710 -0.113) 2.794 3.065 ( 0.725 -1.677 0.168) 1.835 3.146 ( -0.149 -0.497 -0.646) 0.828 3.162 ( -0.157 -1.158 -0.217) 1.188 3.174 ( 0.822 -1.029 0.408) 1.379 3.183 ( 1.294 -1.048 0.702) 1.808 3.328 ( 0.442 0.138 0.053) 0.466 3.333 ( 0.146 -0.183 0.350) 0.421 3.343 ( 0.192 0.442 0.054) 0.485 3.364 ( -0.205 -1.233 -0.187) 1.264 3.461 ( -1.554 1.776 0.100) 2.362 3.476 ( -1.607 0.321 0.511) 1.717 3.489 ( -0.278 0.123 -0.358) 0.470 3.492 ( -0.822 0.028 -0.378) 0.906 3.906 ( -0.683 1.947 -0.112) 2.067 3.927 ( -0.123 1.207 -0.442) 1.291 3.955 ( -1.834 -1.021 0.384) 2.134 3.971 ( -0.718 -0.978 0.325) 1.256 4.091 ( -0.424 5.956 -0.038) 5.971 4.119 ( -0.603 4.290 0.052) 4.333 4.217 ( -0.051 -4.974 0.314) 4.984 4.224 ( -0.569 -5.621 -0.198) 5.654 4.361 ( 0.257 2.175 -0.070) 2.191 4.374 ( 0.617 1.373 -0.331) 1.541 4.398 ( 0.233 0.115 -0.009) 0.260 4.421 ( 0.609 -1.607 0.357) 1.755 4.638 ( 0.034 1.307 0.470) 1.390 4.645 ( -0.285 0.956 0.276) 1.035 4.666 ( 1.220 0.129 0.052) 1.228 4.686 ( 0.091 -1.285 -0.914) 1.579 5.385 ( -0.151 0.492 -0.254) 0.574 5.393 ( 0.084 0.065 -0.249) 0.270 5.407 ( -0.314 -0.027 0.270) 0.415 5.413 ( -0.217 -0.306 0.209) 0.430 5.657 ( -0.474 -0.576 -0.200) 0.772 5.659 ( -0.275 -0.743 -0.201) 0.818 5.666 ( -0.347 -0.602 0.113) 0.705 5.676 ( 0.191 -1.501 0.415) 1.569 5.993 ( 0.018 1.845 -0.019) 1.845 5.997 ( 0.019 1.411 -0.028) 1.411 6.007 ( 0.088 1.866 -0.002) 1.868 6.011 ( 0.135 1.466 -0.045) 1.473 6.419 ( -0.032 1.126 0.155) 1.137 6.420 ( 0.154 0.930 0.262) 0.978 6.423 ( 0.078 1.003 -0.164) 1.019 6.425 ( 0.186 0.751 -0.139) 0.786 6.731 ( 0.241 -0.755 0.047) 0.794 6.733 ( 0.181 -0.828 -0.045) 0.849 6.735 ( 0.102 -1.014 -0.042) 1.020 6.736 ( 0.220 -1.084 0.040) 1.107 7.177 ( -0.339 0.403 -0.028) 0.527 7.179 ( -0.331 0.196 0.040) 0.387 7.206 ( 0.635 0.538 0.116) 0.841 7.207 ( 0.583 0.380 0.017) 0.696 7.340 ( -0.131 -0.620 -0.229) 0.673 7.350 ( 0.080 -1.126 0.018) 1.129 7.357 ( 0.182 -1.112 -0.005) 1.127 7.359 ( -0.174 -1.293 -0.179) 1.317 7.707 ( -0.313 1.759 -0.178) 1.796 7.715 ( 0.159 1.776 0.091) 1.786 7.718 ( 0.038 1.146 -0.157) 1.158 7.732 ( 0.628 0.549 0.303) 0.888 8.024 ( -1.252 0.255 0.112) 1.283 8.030 ( -0.726 -0.053 0.105) 0.736 8.046 ( -0.999 0.139 0.041) 1.009 8.060 ( -0.857 -0.933 -0.229) 1.288 8.339 ( 0.597 1.950 -0.199) 2.049 8.349 ( 0.735 1.172 0.005) 1.383 8.384 ( 0.527 -2.121 -0.041) 2.185 8.389 ( 0.589 -2.425 0.011) 2.496 8.564 ( -0.005 -0.134 -0.308) 0.336 8.574 ( 0.405 -0.738 -0.030) 0.842 8.589 ( -0.205 -2.177 -0.005) 2.187 8.593 ( 0.304 -2.279 0.434) 2.340 12.275 ( 0.152 -0.066 0.013) 0.166 12.275 ( 0.049 -0.048 -0.076) 0.102 12.281 ( 0.065 -0.693 0.041) 0.697 12.282 ( 0.009 -0.699 -0.003) 0.699 12.456 ( -0.090 -0.475 -0.009) 0.483 12.456 ( -0.037 -0.538 -0.037) 0.540 12.458 ( -0.077 -0.446 0.085) 0.460 12.459 ( -0.044 -0.570 0.071) 0.576 15.458 ( 0.388 -1.009 0.721) 1.299 15.462 ( 0.427 -1.449 0.508) 1.594 15.489 ( -0.326 -0.789 -0.637) 1.066 15.500 ( -0.088 -1.835 -0.356) 1.871 15.860 ( 0.267 1.311 0.720) 1.520 15.862 ( 0.485 1.270 0.685) 1.522 15.921 ( -0.382 2.237 -0.571) 2.340 15.938 ( -0.996 0.760 -0.917) 1.553 16.060 ( 0.661 3.185 0.452) 3.285 16.099 ( 0.350 0.062 0.055) 0.360 16.139 ( -0.084 3.022 -0.352) 3.043 16.172 ( -0.061 -0.287 -0.649) 0.713 16.285 ( -0.601 -2.019 0.173) 2.114 16.296 ( 0.285 -2.362 0.180) 2.386 16.345 ( -0.622 -3.468 -0.633) 3.579 16.372 ( 1.000 -5.027 0.220) 5.130 16.578 ( 0.165 3.095 0.316) 3.116 16.609 ( -0.019 -0.078 0.002) 0.080 16.700 ( -1.054 3.062 -0.605) 3.294 16.746 ( -0.145 -1.548 0.570) 1.656 17.673 ( 0.355 -0.086 -0.173) 0.404 17.713 ( 0.126 -3.842 0.199) 3.849 17.795 ( -0.095 -2.078 0.010) 2.080 17.805 ( 0.077 -3.053 -0.282) 3.067 ======================= Grid point 17 (12/28) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 25 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( 0.000 2.804 0.000) 2.804 0.765 ( 0.000 0.205 0.000) 0.205 0.855 ( 0.000 0.068 -0.000) 0.068 0.862 ( -0.000 0.221 0.000) 0.221 0.885 ( 0.000 0.587 0.000) 0.587 0.887 ( 0.000 1.965 0.000) 1.965 0.915 ( -0.000 0.112 0.000) 0.112 0.918 ( 0.000 -0.282 -0.000) 0.282 1.069 ( 0.000 4.233 0.000) 4.233 1.124 ( 0.000 -1.751 0.000) 1.751 1.166 ( -0.000 4.603 -0.000) 4.603 1.207 ( -0.000 5.147 -0.000) 5.147 1.217 ( 0.000 0.311 0.000) 0.311 1.258 ( 0.000 4.873 -0.000) 4.873 1.274 ( 0.000 -0.063 0.000) 0.063 1.322 ( 0.000 -0.657 0.000) 0.657 1.363 ( -0.000 0.549 -0.000) 0.549 1.377 ( 0.000 -0.010 0.000) 0.010 1.427 ( 0.000 0.130 0.000) 0.130 1.449 ( 0.000 1.191 0.000) 1.191 1.484 ( 0.000 0.796 0.000) 0.796 1.533 ( 0.000 4.124 0.000) 4.124 1.538 ( 0.000 -0.388 0.000) 0.388 1.548 ( -0.000 2.086 -0.000) 2.086 1.563 ( 0.000 -0.969 0.000) 0.969 1.597 ( -0.000 -1.235 0.000) 1.235 1.620 ( 0.000 2.402 -0.000) 2.402 1.652 ( 0.000 -0.137 0.000) 0.137 1.672 ( 0.000 4.758 -0.000) 4.758 1.697 ( -0.000 3.581 0.000) 3.581 1.723 ( 0.000 4.076 0.000) 4.076 1.795 ( 0.000 2.751 0.000) 2.751 1.825 ( 0.000 2.254 0.000) 2.254 1.848 ( 0.000 -2.351 0.000) 2.351 1.848 ( -0.000 1.291 -0.000) 1.291 1.869 ( 0.000 -1.062 0.000) 1.062 1.936 ( -0.000 3.248 0.000) 3.248 1.947 ( 0.000 1.485 0.000) 1.485 1.996 ( 0.000 5.854 0.000) 5.854 2.050 ( 0.000 2.964 0.000) 2.964 2.088 ( 0.000 5.247 0.000) 5.247 2.119 ( -0.000 2.497 0.000) 2.497 2.160 ( 0.000 3.527 0.000) 3.527 2.196 ( 0.000 -4.652 0.000) 4.652 2.206 ( 0.000 0.203 0.000) 0.203 2.225 ( 0.000 -2.547 0.000) 2.547 2.240 ( 0.000 -0.761 -0.000) 0.761 2.262 ( 0.000 -0.295 0.000) 0.295 2.540 ( 0.000 2.789 0.000) 2.789 2.593 ( 0.000 -0.833 0.000) 0.833 2.638 ( 0.000 1.862 0.000) 1.862 2.666 ( -0.000 -0.392 0.000) 0.392 2.731 ( 0.000 4.305 0.000) 4.305 2.742 ( 0.000 3.593 0.000) 3.593 2.775 ( 0.000 1.164 0.000) 1.164 2.801 ( 0.000 -0.558 0.000) 0.558 2.838 ( 0.000 2.581 0.000) 2.581 2.871 ( 0.000 -0.046 0.000) 0.046 2.896 ( 0.000 1.552 0.000) 1.552 2.912 ( -0.000 0.218 0.000) 0.218 3.055 ( -0.000 -0.662 0.000) 0.662 3.062 ( 0.000 -0.848 0.000) 0.848 3.071 ( -0.000 -1.158 0.000) 1.158 3.074 ( 0.000 -1.736 0.000) 1.736 3.132 ( 0.000 -1.012 0.000) 1.012 3.141 ( -0.000 -1.698 0.000) 1.698 3.192 ( 0.000 0.065 0.000) 0.065 3.210 ( 0.000 -1.578 0.000) 1.578 3.334 ( -0.000 -0.076 0.000) 0.076 3.340 ( 0.000 -0.540 0.000) 0.540 3.350 ( 0.000 0.260 0.000) 0.260 3.352 ( 0.000 -0.059 0.000) 0.059 3.444 ( 0.000 2.176 0.000) 2.176 3.466 ( 0.000 -0.015 -0.000) 0.015 3.475 ( 0.000 0.533 0.000) 0.533 3.486 ( 0.000 -0.898 0.000) 0.898 3.897 ( 0.000 1.232 0.000) 1.232 3.928 ( -0.000 -1.569 0.000) 1.569 3.933 ( 0.000 1.358 -0.000) 1.358 3.964 ( 0.000 -1.358 0.000) 1.358 4.085 ( 0.000 5.954 0.000) 5.954 4.115 ( 0.000 4.814 0.000) 4.814 4.217 ( 0.000 -5.992 0.000) 5.992 4.219 ( 0.000 -4.544 0.000) 4.544 4.364 ( 0.000 2.562 0.000) 2.562 4.385 ( 0.000 2.707 0.000) 2.707 4.396 ( 0.000 -0.592 0.000) 0.592 4.428 ( 0.000 -1.839 0.000) 1.839 4.634 ( 0.000 1.417 0.000) 1.417 4.659 ( -0.000 1.705 0.000) 1.705 4.663 ( 0.000 -1.624 0.000) 1.624 4.689 ( 0.000 -1.329 0.000) 1.329 5.384 ( -0.000 0.577 0.000) 0.577 5.398 ( -0.000 -0.605 0.000) 0.605 5.399 ( 0.000 0.602 0.000) 0.602 5.411 ( 0.000 -0.337 0.000) 0.337 5.650 ( 0.000 -0.532 0.000) 0.532 5.654 ( 0.000 -0.882 0.000) 0.882 5.665 ( 0.000 -0.137 0.000) 0.137 5.682 ( 0.000 -1.736 0.000) 1.736 5.992 ( 0.000 1.880 0.000) 1.880 5.997 ( 0.000 1.412 0.000) 1.412 6.008 ( 0.000 1.897 0.000) 1.897 6.012 ( 0.000 1.570 0.000) 1.570 6.419 ( 0.000 1.263 0.000) 1.263 6.423 ( 0.000 0.995 0.000) 0.995 6.423 ( 0.000 0.920 0.000) 0.920 6.427 ( 0.000 0.658 0.000) 0.658 6.733 ( -0.000 -0.646 0.000) 0.646 6.735 ( 0.000 -0.841 0.000) 0.841 6.736 ( 0.000 -0.965 0.000) 0.965 6.739 ( 0.000 -1.182 0.000) 1.182 7.174 ( 0.000 0.354 0.000) 0.354 7.177 ( 0.000 0.150 0.000) 0.150 7.212 ( 0.000 0.526 0.000) 0.526 7.213 ( 0.000 0.444 -0.000) 0.444 7.337 ( 0.000 -0.469 0.000) 0.469 7.353 ( -0.000 -1.360 0.000) 1.360 7.354 ( 0.000 -0.709 0.000) 0.709 7.359 ( 0.000 -1.693 0.000) 1.693 7.703 ( 0.000 1.843 0.000) 1.843 7.715 ( 0.000 0.779 0.000) 0.779 7.720 ( 0.000 2.228 0.000) 2.228 7.741 ( 0.000 0.351 0.000) 0.351 8.013 ( 0.000 0.315 0.000) 0.315 8.024 ( -0.000 -0.298 0.000) 0.298 8.037 ( 0.000 -0.119 -0.000) 0.119 8.047 ( 0.000 -0.784 0.000) 0.784 8.342 ( 0.000 1.956 0.000) 1.956 8.358 ( 0.000 1.391 0.000) 1.391 8.386 ( 0.000 -2.119 0.000) 2.119 8.397 ( 0.000 -2.100 0.000) 2.100 8.561 ( 0.000 -0.142 0.000) 0.142 8.581 ( 0.000 -0.575 0.000) 0.575 8.582 ( -0.000 -2.186 0.000) 2.186 8.602 ( 0.000 -2.611 0.000) 2.611 12.275 ( 0.000 0.022 0.000) 0.022 12.277 ( 0.000 -0.207 0.000) 0.207 12.281 ( -0.000 -0.610 0.000) 0.610 12.283 ( 0.000 -0.742 0.000) 0.742 12.455 ( 0.000 -0.437 0.000) 0.437 12.456 ( 0.000 -0.561 0.000) 0.561 12.457 ( 0.000 -0.405 0.000) 0.405 12.459 ( 0.000 -0.590 0.000) 0.590 15.466 ( 0.000 -0.911 0.000) 0.911 15.474 ( -0.000 -1.622 0.000) 1.622 15.479 ( 0.000 -0.395 0.000) 0.395 15.497 ( -0.000 -2.183 0.000) 2.183 15.870 ( 0.000 1.474 0.000) 1.474 15.876 ( 0.000 1.178 0.000) 1.178 15.911 ( -0.000 1.595 0.000) 1.595 15.917 ( 0.000 1.078 0.000) 1.078 16.072 ( 0.000 3.085 0.000) 3.085 16.103 ( 0.000 0.474 0.000) 0.474 16.133 ( 0.000 3.190 0.000) 3.190 16.166 ( 0.000 0.345 0.000) 0.345 16.281 ( 0.000 -2.613 0.000) 2.613 16.294 ( 0.000 -3.490 0.000) 3.490 16.339 ( 0.000 -2.068 0.000) 2.068 16.385 ( 0.000 -5.518 0.000) 5.518 16.582 ( 0.000 2.874 0.000) 2.874 16.608 ( 0.000 0.200 0.000) 0.200 16.686 ( 0.000 4.151 0.000) 4.151 16.749 ( 0.000 -2.254 0.000) 2.254 17.675 ( 0.000 -0.152 0.000) 0.152 17.716 ( 0.000 -3.976 0.000) 3.976 17.795 ( 0.000 -2.114 -0.000) 2.114 17.803 ( 0.000 -3.086 0.000) 3.086 ======================= Grid point 35 (13/28) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.246 ( -7.185 0.000 10.716) 12.902 0.268 ( -2.130 0.000 11.199) 11.399 0.469 ( 2.678 0.000 -6.999) 7.494 0.496 ( -0.157 0.000 0.161) 0.225 0.522 ( -2.597 0.000 11.755) 12.039 0.742 ( -4.068 0.000 0.009) 4.068 0.771 ( -0.122 0.000 -0.628) 0.639 0.800 ( 2.239 0.000 -0.500) 2.294 0.823 ( 2.094 0.000 0.071) 2.095 0.828 ( 6.492 0.000 -4.523) 7.912 0.907 ( -0.749 0.000 2.244) 2.366 0.959 ( 2.134 0.000 -1.907) 2.862 0.972 ( 4.716 0.000 -0.989) 4.819 0.973 ( -5.536 0.000 -0.993) 5.624 1.065 ( -0.436 0.000 1.256) 1.329 1.077 ( 0.443 0.000 0.707) 0.834 1.089 ( -0.677 0.000 1.055) 1.253 1.091 ( -1.003 0.000 -0.539) 1.138 1.137 ( 2.429 0.000 3.045) 3.895 1.180 ( 0.169 0.000 1.466) 1.475 1.241 ( 0.835 0.000 3.965) 4.052 1.248 ( -1.714 0.000 3.515) 3.910 1.291 ( 0.022 0.000 -0.075) 0.078 1.353 ( 0.765 0.000 -3.452) 3.536 1.438 ( -1.687 0.000 -2.570) 3.074 1.444 ( -0.337 0.000 -2.277) 2.301 1.473 ( -0.965 0.000 1.327) 1.641 1.493 ( -0.198 0.000 -0.410) 0.456 1.510 ( 0.758 0.000 -2.024) 2.161 1.512 ( -0.376 0.000 -2.535) 2.563 1.573 ( 0.319 0.000 -7.375) 7.382 1.597 ( 1.590 0.000 -5.850) 6.062 1.652 ( 0.399 0.000 1.365) 1.422 1.662 ( -0.697 0.000 3.388) 3.459 1.710 ( -2.243 0.000 -4.327) 4.874 1.730 ( 0.594 0.000 -2.112) 2.194 1.766 ( -0.524 0.000 1.798) 1.873 1.809 ( -0.317 0.000 -1.856) 1.883 1.914 ( 9.328 0.000 1.489) 9.446 1.941 ( -5.304 0.000 0.460) 5.324 1.989 ( -7.135 0.000 2.795) 7.663 2.020 ( 4.461 0.000 0.367) 4.476 2.107 ( 0.661 0.000 1.077) 1.264 2.132 ( -0.395 0.000 -1.031) 1.104 2.251 ( -3.226 0.000 3.883) 5.048 2.287 ( 1.657 0.000 -1.259) 2.081 2.352 ( 0.310 0.000 0.731) 0.794 2.368 ( -1.574 0.000 0.029) 1.575 2.495 ( 1.285 0.000 3.443) 3.675 2.499 ( -2.280 0.000 1.144) 2.551 2.506 ( 0.479 0.000 0.783) 0.918 2.551 ( -0.197 0.000 -1.296) 1.311 2.565 ( -0.452 0.000 0.122) 0.468 2.569 ( 0.440 0.000 -0.282) 0.523 2.739 ( 6.174 0.000 -0.186) 6.177 2.750 ( -3.247 0.000 -1.128) 3.438 2.855 ( -2.845 0.000 1.488) 3.210 2.884 ( 4.024 0.000 1.441) 4.274 2.887 ( 3.475 0.000 -0.779) 3.562 2.921 ( 1.661 0.000 -1.885) 2.513 3.093 ( 0.329 0.000 0.234) 0.404 3.103 ( -0.359 0.000 0.739) 0.821 3.106 ( -1.072 0.000 -0.842) 1.363 3.120 ( -0.697 0.000 -0.696) 0.985 3.163 ( -0.817 0.000 0.522) 0.969 3.171 ( 0.218 0.000 -0.086) 0.235 3.226 ( -0.991 0.000 0.360) 1.055 3.237 ( 0.978 0.000 -0.572) 1.133 3.297 ( -0.973 0.000 0.053) 0.975 3.298 ( 0.826 0.000 0.004) 0.826 3.397 ( -0.781 0.000 0.853) 1.157 3.421 ( 0.184 0.000 -1.130) 1.145 3.455 ( 0.565 0.000 0.254) 0.620 3.460 ( -0.520 0.000 -0.225) 0.567 3.552 ( -3.483 0.000 -0.020) 3.483 3.556 ( 1.861 0.000 -0.308) 1.887 3.807 ( 0.343 0.000 0.479) 0.589 3.819 ( -0.204 0.000 -0.471) 0.513 3.860 ( -1.948 0.000 0.101) 1.950 3.865 ( 0.549 0.000 -0.352) 0.652 4.003 ( 1.009 0.000 0.699) 1.228 4.021 ( -1.061 0.000 -0.778) 1.316 4.173 ( -0.242 0.000 0.127) 0.273 4.177 ( 0.258 0.000 -0.160) 0.303 4.214 ( -0.464 0.000 0.163) 0.492 4.218 ( 0.099 0.000 -0.113) 0.150 4.463 ( -1.582 0.000 0.979) 1.860 4.484 ( 5.686 0.000 -0.794) 5.742 4.591 ( 1.531 0.000 3.927) 4.215 4.685 ( -2.153 0.000 -3.916) 4.469 4.770 ( 3.508 0.000 1.103) 3.677 4.795 ( -6.554 0.000 -1.044) 6.636 5.372 ( 0.430 0.000 -0.199) 0.474 5.372 ( -0.653 0.000 -0.236) 0.695 5.396 ( 0.075 0.000 0.309) 0.318 5.401 ( 0.208 0.000 -0.173) 0.271 5.724 ( -0.062 0.000 -0.285) 0.292 5.725 ( -0.115 0.000 -0.427) 0.442 5.764 ( -0.203 0.000 0.369) 0.421 5.772 ( 0.366 0.000 -0.394) 0.538 5.823 ( -1.623 0.000 1.087) 1.953 5.837 ( 0.325 0.000 -0.331) 0.464 5.850 ( -1.593 0.000 0.265) 1.615 5.855 ( 1.698 0.000 -0.004) 1.698 6.311 ( 0.134 0.000 -0.060) 0.147 6.312 ( -0.273 0.000 -0.092) 0.288 6.319 ( -0.064 0.000 0.137) 0.151 6.320 ( 0.069 0.000 0.053) 0.087 6.816 ( -0.225 0.000 -0.103) 0.248 6.816 ( 0.301 0.000 -0.086) 0.313 6.829 ( -0.276 0.000 0.256) 0.376 6.831 ( 0.338 0.000 0.070) 0.345 7.128 ( -0.078 0.000 0.046) 0.091 7.129 ( -0.125 0.000 -0.086) 0.151 7.143 ( -0.024 0.000 -0.006) 0.025 7.143 ( 0.011 0.000 -0.025) 0.027 7.454 ( 0.370 0.000 0.530) 0.646 7.468 ( -0.569 0.000 -0.546) 0.788 7.470 ( -0.597 0.000 1.130) 1.278 7.496 ( 1.013 0.000 -1.026) 1.442 7.557 ( -0.072 0.000 0.226) 0.237 7.562 ( 0.082 0.000 -0.239) 0.253 7.577 ( -0.010 0.000 0.186) 0.186 7.581 ( -0.024 0.000 -0.182) 0.184 7.967 ( 0.648 0.000 -0.104) 0.656 7.968 ( -0.735 0.000 -0.150) 0.751 8.092 ( -1.148 0.000 0.192) 1.164 8.098 ( -0.467 0.000 -0.258) 0.534 8.335 ( -0.431 0.000 1.365) 1.432 8.375 ( 0.249 0.000 -1.993) 2.008 8.478 ( 0.065 0.000 0.323) 0.330 8.486 ( -0.554 0.000 -0.323) 0.641 8.680 ( -0.964 0.000 0.247) 0.995 8.685 ( 0.914 0.000 -0.174) 0.930 8.765 ( -0.540 0.000 1.364) 1.467 8.793 ( 1.962 0.000 -0.967) 2.188 12.302 ( 0.221 0.000 0.006) 0.221 12.302 ( -0.159 0.000 -0.057) 0.168 12.338 ( -0.104 0.000 0.036) 0.110 12.339 ( 0.059 0.000 -0.018) 0.062 12.510 ( 0.059 0.000 0.007) 0.059 12.511 ( -0.058 0.000 -0.033) 0.067 12.514 ( -0.036 0.000 0.045) 0.058 12.514 ( 0.052 0.000 0.021) 0.056 15.465 ( -0.053 0.000 0.407) 0.411 15.474 ( 0.273 0.000 -0.389) 0.476 15.488 ( -0.422 0.000 0.299) 0.518 15.494 ( 0.616 0.000 -0.182) 0.642 15.701 ( 0.688 0.000 0.089) 0.694 15.705 ( -0.376 0.000 -0.280) 0.469 15.767 ( -0.290 0.000 0.256) 0.387 15.770 ( 0.203 0.000 0.012) 0.203 15.918 ( 0.039 0.000 0.421) 0.423 15.929 ( -0.134 0.000 -0.434) 0.454 16.001 ( -0.782 0.000 0.935) 1.219 16.025 ( 2.725 0.000 -1.054) 2.922 16.330 ( -0.546 0.000 0.095) 0.554 16.334 ( 0.584 0.000 -0.274) 0.645 16.574 ( 2.170 0.000 1.206) 2.483 16.602 ( -8.173 0.000 -0.972) 8.230 16.657 ( -6.867 0.000 2.783) 7.409 16.709 ( 15.882 0.000 -1.840) 15.988 16.724 ( 2.143 0.000 0.508) 2.202 16.748 ( -0.271 0.000 -1.339) 1.366 17.939 ( -16.753 0.000 4.001) 17.224 18.004 ( -0.053 0.000 2.315) 2.315 18.038 ( 6.064 0.000 -4.045) 7.290 18.064 ( -1.179 0.000 -2.697) 2.943 ======================= Grid point 36 (14/28) ======================= q-point: ( 0.25 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.430 ( 6.957 0.000 -3.828) 7.941 0.433 ( 2.072 0.000 8.613) 8.859 0.532 ( 7.762 0.000 -7.756) 10.973 0.552 ( 7.149 0.000 6.916) 9.947 0.643 ( 1.230 0.000 2.546) 2.828 0.731 ( 5.930 0.000 -0.121) 5.932 0.766 ( -4.480 0.000 -3.453) 5.656 0.772 ( -0.334 0.000 2.590) 2.612 0.802 ( -0.555 0.000 -1.683) 1.772 0.818 ( 4.139 0.000 -4.317) 5.980 0.902 ( -1.054 0.000 -0.981) 1.440 0.912 ( -1.220 0.000 0.517) 1.325 0.968 ( 5.203 0.000 -3.290) 6.156 1.031 ( -3.069 0.000 0.301) 3.083 1.053 ( 3.740 0.000 -0.784) 3.821 1.069 ( -0.692 0.000 -1.295) 1.468 1.081 ( -0.930 0.000 1.637) 1.883 1.100 ( 1.130 0.000 -0.435) 1.211 1.178 ( 1.832 0.000 -2.367) 2.993 1.208 ( 1.326 0.000 -2.816) 3.112 1.273 ( -0.646 0.000 -1.330) 1.479 1.299 ( 2.899 0.000 0.426) 2.930 1.310 ( 0.055 0.000 1.728) 1.729 1.335 ( 2.152 0.000 -3.836) 4.399 1.399 ( -0.483 0.000 5.056) 5.079 1.426 ( -0.731 0.000 2.737) 2.832 1.466 ( -3.035 0.000 1.504) 3.387 1.478 ( -1.245 0.000 2.611) 2.893 1.510 ( 1.092 0.000 0.354) 1.148 1.518 ( 2.847 0.000 -0.711) 2.934 1.532 ( -2.960 0.000 -0.511) 3.003 1.548 ( -0.994 0.000 0.845) 1.304 1.649 ( -1.220 0.000 -1.162) 1.685 1.680 ( -1.512 0.000 -0.266) 1.535 1.696 ( -0.497 0.000 2.929) 2.970 1.708 ( 0.676 0.000 1.726) 1.854 1.780 ( -3.291 0.000 -0.759) 3.377 1.786 ( 0.337 0.000 -1.273) 1.316 1.814 ( -0.867 0.000 -1.587) 1.808 1.876 ( -9.572 0.000 3.761) 10.285 2.039 ( 3.822 0.000 -1.118) 3.982 2.070 ( 1.374 0.000 -0.787) 1.583 2.105 ( -0.473 0.000 -0.934) 1.047 2.122 ( -0.678 0.000 0.783) 1.036 2.213 ( -5.418 0.000 2.903) 6.147 2.302 ( 0.921 0.000 -1.755) 1.982 2.376 ( 1.798 0.000 -0.152) 1.805 2.385 ( 1.431 0.000 0.032) 1.431 2.468 ( -2.620 0.000 -0.883) 2.765 2.471 ( -1.683 0.000 0.272) 1.705 2.536 ( -3.234 0.000 1.521) 3.574 2.560 ( 2.122 0.000 -1.297) 2.487 2.571 ( 2.345 0.000 0.698) 2.447 2.596 ( 2.819 0.000 -1.005) 2.993 2.671 ( 0.036 0.000 -2.512) 2.512 2.750 ( -3.264 0.000 0.397) 3.288 2.825 ( -2.862 0.000 -0.534) 2.912 2.836 ( -0.976 0.000 0.229) 1.003 2.926 ( 0.489 0.000 -2.467) 2.515 2.936 ( 0.396 0.000 -0.078) 0.403 3.084 ( 0.918 0.000 0.492) 1.042 3.098 ( -0.139 0.000 0.806) 0.817 3.111 ( -0.110 0.000 -0.419) 0.433 3.111 ( 0.325 0.000 0.455) 0.560 3.185 ( 0.281 0.000 -0.191) 0.340 3.188 ( 1.712 0.000 0.047) 1.712 3.204 ( -1.298 0.000 0.681) 1.466 3.219 ( -1.418 0.000 -0.655) 1.562 3.308 ( 1.396 0.000 -0.620) 1.528 3.322 ( 1.104 0.000 -0.038) 1.105 3.398 ( -1.365 0.000 1.805) 2.263 3.407 ( -0.009 0.000 -1.017) 1.017 3.448 ( -0.260 0.000 -0.120) 0.286 3.465 ( 0.136 0.000 0.105) 0.172 3.524 ( -1.057 0.000 1.178) 1.583 3.595 ( 2.019 0.000 0.079) 2.021 3.810 ( 0.250 0.000 -0.613) 0.662 3.820 ( 0.271 0.000 0.376) 0.463 3.876 ( 1.773 0.000 -0.265) 1.793 3.882 ( -0.281 0.000 0.733) 0.784 3.991 ( -0.754 0.000 -0.293) 0.809 4.033 ( 1.125 0.000 0.211) 1.145 4.174 ( 0.101 0.000 0.220) 0.242 4.182 ( 0.650 0.000 -0.215) 0.685 4.207 ( -0.684 0.000 0.137) 0.698 4.213 ( -0.547 0.000 0.046) 0.549 4.487 ( 3.739 0.000 1.950) 4.216 4.515 ( 1.894 0.000 -2.960) 3.515 4.607 ( -1.545 0.000 -3.682) 3.993 4.714 ( 0.059 0.000 0.378) 0.383 4.727 ( 2.891 0.000 2.701) 3.957 4.861 ( 3.470 0.000 2.823) 4.474 5.366 ( 0.231 0.000 0.473) 0.527 5.379 ( 0.280 0.000 0.035) 0.282 5.393 ( -0.828 0.000 -0.444) 0.939 5.401 ( 0.526 0.000 0.055) 0.529 5.717 ( -0.594 0.000 0.114) 0.605 5.720 ( -0.251 0.000 0.380) 0.455 5.761 ( -0.437 0.000 0.147) 0.461 5.765 ( -0.493 0.000 -0.587) 0.766 5.812 ( -0.931 0.000 1.008) 1.372 5.831 ( -0.438 0.000 -0.110) 0.452 5.836 ( -0.875 0.000 0.372) 0.950 5.885 ( 1.512 0.000 -0.522) 1.600 6.307 ( -0.219 0.000 0.112) 0.246 6.314 ( 0.108 0.000 0.072) 0.129 6.321 ( 0.096 0.000 -0.051) 0.108 6.321 ( 0.083 0.000 -0.044) 0.094 6.817 ( 0.290 0.000 0.093) 0.305 6.824 ( 0.521 0.000 -0.163) 0.546 6.827 ( -0.204 0.000 0.093) 0.224 6.837 ( 0.456 0.000 -0.174) 0.488 7.126 ( -0.118 0.000 0.071) 0.138 7.130 ( 0.119 0.000 0.108) 0.161 7.144 ( 0.006 0.000 0.029) 0.029 7.145 ( 0.110 0.000 -0.009) 0.110 7.447 ( -0.733 0.000 -0.468) 0.869 7.462 ( -0.206 0.000 0.332) 0.391 7.472 ( -0.749 0.000 0.961) 1.218 7.496 ( 0.947 0.000 -1.021) 1.393 7.558 ( -0.188 0.000 0.179) 0.260 7.559 ( 0.038 0.000 -0.219) 0.222 7.580 ( 0.128 0.000 -0.110) 0.169 7.580 ( 0.030 0.000 0.172) 0.175 7.959 ( -0.216 0.000 0.225) 0.312 7.981 ( 0.779 0.000 -0.060) 0.782 8.124 ( 2.273 0.000 1.966) 3.005 8.126 ( 2.773 0.000 0.055) 2.774 8.344 ( -1.213 0.000 1.873) 2.231 8.351 ( 0.138 0.000 -1.133) 1.141 8.477 ( -0.341 0.000 0.070) 0.348 8.485 ( -0.041 0.000 0.554) 0.556 8.668 ( -0.651 0.000 0.262) 0.702 8.698 ( 0.723 0.000 -0.265) 0.771 8.761 ( -1.174 0.000 -0.068) 1.176 8.785 ( 0.118 0.000 -1.613) 1.617 12.300 ( -0.006 0.000 -0.021) 0.022 12.306 ( 0.281 0.000 -0.077) 0.291 12.336 ( -0.133 0.000 0.112) 0.175 12.339 ( 0.039 0.000 -0.006) 0.039 12.508 ( -0.133 0.000 0.001) 0.133 12.511 ( 0.056 0.000 0.007) 0.056 12.513 ( -0.075 0.000 0.014) 0.077 12.514 ( -0.050 0.000 -0.068) 0.084 15.467 ( -0.159 0.000 -0.310) 0.348 15.468 ( -0.122 0.000 0.262) 0.289 15.484 ( -0.373 0.000 0.210) 0.428 15.500 ( 0.498 0.000 -0.488) 0.697 15.697 ( -0.041 0.000 0.029) 0.051 15.705 ( -0.248 0.000 0.026) 0.249 15.788 ( 1.435 0.000 -0.072) 1.437 15.791 ( 2.520 0.000 -0.350) 2.545 15.924 ( 0.412 0.000 -0.376) 0.558 15.931 ( 0.669 0.000 0.484) 0.826 15.972 ( -2.653 0.000 -0.371) 2.679 16.000 ( -2.341 0.000 -1.129) 2.599 16.324 ( -0.282 0.000 0.182) 0.336 16.340 ( 0.477 0.000 -0.255) 0.541 16.513 ( -4.103 0.000 1.206) 4.277 16.555 ( -4.337 0.000 -1.664) 4.645 16.631 ( 0.487 0.000 3.382) 3.417 16.718 ( 0.592 0.000 -0.322) 0.674 16.797 ( 3.078 0.000 1.041) 3.250 16.859 ( 9.931 0.000 -8.471) 13.053 17.906 ( -2.476 0.000 7.032) 7.455 18.021 ( -0.088 0.000 -1.879) 1.881 18.043 ( -0.382 0.000 3.889) 3.908 18.141 ( 6.878 0.000 2.486) 7.314 ======================= Grid point 37 (15/28) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.430 ( -10.970 0.000 1.999) 11.151 0.438 ( -11.228 0.000 0.188) 11.230 0.521 ( 7.614 0.000 -5.045) 9.133 0.529 ( 7.920 0.000 -6.596) 10.307 0.692 ( -4.262 0.000 2.716) 5.054 0.758 ( 6.819 0.000 -0.375) 6.830 0.781 ( -1.599 0.000 2.079) 2.623 0.810 ( -1.062 0.000 1.668) 1.978 0.850 ( -5.062 0.000 1.776) 5.364 0.872 ( 0.157 0.000 1.119) 1.130 0.883 ( 2.727 0.000 -0.667) 2.807 0.907 ( 1.219 0.000 0.926) 1.531 0.983 ( 1.276 0.000 -2.308) 2.637 1.001 ( -0.202 0.000 -1.674) 1.686 1.040 ( -0.842 0.000 -2.994) 3.110 1.056 ( 1.464 0.000 -3.173) 3.494 1.109 ( 1.637 0.000 0.655) 1.764 1.128 ( 0.682 0.000 -0.117) 0.692 1.145 ( -3.337 0.000 -0.834) 3.440 1.202 ( 0.008 0.000 -5.274) 5.274 1.246 ( -0.364 0.000 0.777) 0.858 1.274 ( 1.242 0.000 -1.660) 2.073 1.325 ( -0.462 0.000 0.018) 0.462 1.327 ( 0.512 0.000 0.463) 0.690 1.399 ( -0.326 0.000 1.331) 1.371 1.424 ( 1.775 0.000 -1.179) 2.131 1.493 ( -2.968 0.000 2.617) 3.957 1.494 ( -1.102 0.000 1.354) 1.746 1.526 ( 2.927 0.000 2.270) 3.704 1.540 ( 3.494 0.000 -0.064) 3.495 1.571 ( 0.852 0.000 2.320) 2.471 1.578 ( -1.222 0.000 1.713) 2.105 1.619 ( 0.131 0.000 -2.412) 2.415 1.628 ( -0.447 0.000 -0.975) 1.073 1.717 ( -0.482 0.000 2.615) 2.659 1.756 ( -0.220 0.000 -0.222) 0.313 1.762 ( 2.634 0.000 4.969) 5.624 1.800 ( 0.792 0.000 4.233) 4.306 1.848 ( -2.732 0.000 4.456) 5.227 1.851 ( 1.913 0.000 -0.045) 1.913 2.007 ( 0.020 0.000 -4.803) 4.803 2.039 ( -1.213 0.000 -3.490) 3.695 2.105 ( 0.771 0.000 0.325) 0.837 2.111 ( -1.093 0.000 0.024) 1.093 2.185 ( -3.617 0.000 3.893) 5.314 2.275 ( 1.575 0.000 -3.724) 4.043 2.382 ( 0.499 0.000 -1.458) 1.541 2.384 ( 0.166 0.000 -1.090) 1.103 2.447 ( 0.778 0.000 0.111) 0.786 2.449 ( -1.581 0.000 0.180) 1.591 2.515 ( -0.787 0.000 1.155) 1.398 2.564 ( 1.124 0.000 -2.304) 2.564 2.605 ( -0.646 0.000 0.653) 0.919 2.620 ( 1.131 0.000 -0.804) 1.387 2.691 ( 2.585 0.000 0.253) 2.598 2.697 ( -2.387 0.000 -0.026) 2.387 2.811 ( 0.149 0.000 0.551) 0.571 2.822 ( -0.392 0.000 -0.362) 0.534 2.909 ( -0.247 0.000 -0.141) 0.284 2.928 ( -0.061 0.000 -0.941) 0.943 3.101 ( -0.958 0.000 0.487) 1.075 3.106 ( 0.110 0.000 0.253) 0.276 3.111 ( 1.111 0.000 0.177) 1.125 3.117 ( -0.619 0.000 0.049) 0.621 3.167 ( 0.252 0.000 -0.678) 0.723 3.179 ( -1.242 0.000 -1.514) 1.958 3.201 ( -0.531 0.000 0.370) 0.648 3.210 ( 1.002 0.000 -0.364) 1.066 3.317 ( 0.750 0.000 -0.495) 0.898 3.322 ( -0.431 0.000 -0.605) 0.742 3.386 ( -2.432 0.000 1.282) 2.749 3.407 ( 1.577 0.000 -0.574) 1.678 3.452 ( 0.374 0.000 0.428) 0.569 3.461 ( -0.386 0.000 -0.299) 0.488 3.549 ( 0.192 0.000 2.738) 2.745 3.599 ( -0.459 0.000 -1.470) 1.540 3.818 ( -0.806 0.000 -0.126) 0.815 3.818 ( 1.122 0.000 -0.127) 1.129 3.874 ( -0.739 0.000 0.704) 1.021 3.889 ( 0.779 0.000 -0.578) 0.970 4.000 ( 0.774 0.000 1.134) 1.373 4.029 ( -0.705 0.000 -1.217) 1.407 4.178 ( -0.415 0.000 0.497) 0.648 4.189 ( 0.464 0.000 -0.420) 0.626 4.202 ( -0.413 0.000 -0.021) 0.413 4.203 ( 0.290 0.000 -0.094) 0.305 4.501 ( -3.205 0.000 -0.800) 3.304 4.508 ( 1.768 0.000 -1.652) 2.419 4.628 ( 4.518 0.000 1.856) 4.884 4.671 ( -1.801 0.000 -1.688) 2.469 4.860 ( 4.342 0.000 4.453) 6.220 4.894 ( -3.534 0.000 0.815) 3.627 5.371 ( -0.698 0.000 0.161) 0.716 5.377 ( 0.119 0.000 -0.301) 0.324 5.399 ( 1.004 0.000 1.204) 1.568 5.416 ( 0.393 0.000 0.029) 0.394 5.716 ( 0.274 0.000 0.604) 0.663 5.723 ( -0.404 0.000 0.452) 0.606 5.753 ( -0.490 0.000 -0.336) 0.594 5.755 ( 0.996 0.000 -0.766) 1.256 5.820 ( -0.127 0.000 0.972) 0.980 5.826 ( 0.117 0.000 -0.043) 0.124 5.831 ( -0.836 0.000 1.296) 1.542 5.877 ( -0.111 0.000 -1.933) 1.936 6.309 ( 0.056 0.000 0.358) 0.363 6.316 ( 0.055 0.000 0.061) 0.082 6.318 ( -0.245 0.000 -0.158) 0.292 6.322 ( 0.150 0.000 -0.219) 0.265 6.822 ( 0.154 0.000 0.005) 0.154 6.825 ( -0.040 0.000 -0.271) 0.274 6.827 ( -0.283 0.000 0.516) 0.588 6.840 ( 0.351 0.000 -0.418) 0.546 7.127 ( 0.008 0.000 0.166) 0.166 7.130 ( -0.127 0.000 -0.085) 0.153 7.145 ( -0.000 0.000 0.112) 0.112 7.146 ( 0.043 0.000 0.001) 0.043 7.442 ( 0.194 0.000 0.400) 0.445 7.456 ( -0.315 0.000 -0.468) 0.564 7.476 ( -0.330 0.000 0.928) 0.985 7.497 ( 0.640 0.000 -0.965) 1.158 7.556 ( -0.191 0.000 0.085) 0.209 7.559 ( 0.192 0.000 -0.151) 0.244 7.581 ( -0.153 0.000 0.079) 0.172 7.582 ( 0.144 0.000 0.012) 0.145 7.967 ( 0.146 0.000 0.844) 0.857 7.983 ( -0.082 0.000 -0.505) 0.512 8.158 ( -2.389 0.000 1.729) 2.949 8.176 ( 2.966 0.000 0.592) 3.024 8.348 ( -1.531 0.000 2.051) 2.559 8.366 ( 1.539 0.000 0.449) 1.603 8.479 ( 0.016 0.000 0.816) 0.816 8.489 ( -0.534 0.000 0.372) 0.651 8.672 ( 0.098 0.000 0.927) 0.932 8.696 ( -0.009 0.000 -0.811) 0.811 8.741 ( 0.056 0.000 -0.627) 0.629 8.760 ( 0.034 0.000 -2.359) 2.359 12.302 ( 0.075 0.000 0.130) 0.150 12.306 ( -0.016 0.000 -0.253) 0.254 12.337 ( -0.048 0.000 0.192) 0.198 12.340 ( 0.009 0.000 -0.021) 0.023 12.508 ( 0.047 0.000 0.092) 0.104 12.511 ( -0.093 0.000 -0.116) 0.149 12.512 ( -0.047 0.000 0.008) 0.047 12.513 ( 0.120 0.000 -0.050) 0.130 15.466 ( -0.408 0.000 0.035) 0.409 15.467 ( 0.399 0.000 -0.005) 0.399 15.484 ( -0.100 0.000 0.394) 0.407 15.497 ( 0.236 0.000 -0.714) 0.752 15.701 ( 0.034 0.000 0.336) 0.338 15.703 ( 0.094 0.000 0.119) 0.152 15.797 ( -0.275 0.000 -0.073) 0.284 15.812 ( 0.787 0.000 -1.126) 1.374 15.939 ( 1.459 0.000 0.114) 1.463 15.941 ( -0.091 0.000 -0.154) 0.179 15.941 ( -1.636 0.000 -0.325) 1.668 15.949 ( 0.033 0.000 -0.736) 0.737 16.326 ( -0.015 0.000 0.483) 0.484 16.340 ( 0.146 0.000 -0.562) 0.580 16.475 ( -2.304 0.000 0.862) 2.460 16.505 ( 1.087 0.000 -1.687) 2.007 16.681 ( -1.980 0.000 5.308) 5.666 16.745 ( 1.109 0.000 1.264) 1.682 16.796 ( -2.408 0.000 -1.541) 2.859 16.863 ( 6.036 0.000 -9.027) 10.859 17.963 ( -0.261 0.000 3.126) 3.137 18.009 ( 1.329 0.000 -1.556) 2.047 18.124 ( 0.053 0.000 9.829) 9.829 18.221 ( -2.595 0.000 1.477) 2.986 ======================= Grid point 38 (16/28) ======================= q-point: (-0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.269 ( -12.558 0.000 6.495) 14.138 0.292 ( -10.637 0.000 12.174) 16.166 0.555 ( -23.663 0.000 8.385) 25.105 0.588 ( 1.439 0.000 -4.312) 4.545 0.635 ( 3.443 0.000 -0.040) 3.443 0.721 ( 0.118 0.000 0.217) 0.247 0.738 ( -8.177 0.000 1.618) 8.336 0.784 ( 2.064 0.000 -6.068) 6.409 0.819 ( 1.028 0.000 -1.293) 1.652 0.833 ( -1.578 0.000 -3.371) 3.722 0.908 ( -0.883 0.000 -0.228) 0.912 0.936 ( 2.741 0.000 -0.835) 2.865 0.943 ( 0.135 0.000 -1.853) 1.858 0.981 ( 3.047 0.000 3.263) 4.465 1.028 ( 0.263 0.000 1.811) 1.830 1.037 ( 0.730 0.000 0.267) 0.777 1.099 ( 0.880 0.000 -0.492) 1.008 1.100 ( -1.617 0.000 -0.932) 1.866 1.112 ( -2.081 0.000 1.689) 2.680 1.144 ( -1.724 0.000 2.309) 2.882 1.251 ( -2.705 0.000 2.691) 3.816 1.256 ( -3.961 0.000 -0.652) 4.014 1.315 ( -1.461 0.000 -0.935) 1.735 1.366 ( 2.805 0.000 -1.629) 3.243 1.447 ( 2.284 0.000 0.173) 2.291 1.449 ( 1.688 0.000 -0.568) 1.781 1.498 ( -0.889 0.000 0.614) 1.080 1.500 ( 1.568 0.000 -0.330) 1.602 1.505 ( -4.677 0.000 0.389) 4.693 1.584 ( -0.806 0.000 -2.735) 2.851 1.607 ( 4.382 0.000 -2.142) 4.878 1.617 ( 3.230 0.000 -0.290) 3.243 1.617 ( 2.562 0.000 0.324) 2.582 1.687 ( 6.881 0.000 -1.822) 7.118 1.744 ( 0.072 0.000 2.283) 2.284 1.748 ( 2.046 0.000 -1.485) 2.528 1.777 ( -0.947 0.000 -7.415) 7.476 1.820 ( -1.473 0.000 -4.941) 5.155 1.835 ( 0.394 0.000 -0.537) 0.666 1.910 ( 1.744 0.000 5.851) 6.105 1.981 ( 0.387 0.000 -1.547) 1.595 2.009 ( -1.243 0.000 3.955) 4.146 2.095 ( -0.487 0.000 0.016) 0.487 2.130 ( 1.180 0.000 0.390) 1.243 2.207 ( -1.696 0.000 5.845) 6.086 2.287 ( 4.386 0.000 -3.097) 5.369 2.372 ( -1.359 0.000 -0.221) 1.377 2.399 ( 3.314 0.000 0.904) 3.435 2.437 ( 0.442 0.000 1.033) 1.123 2.468 ( 0.634 0.000 -0.215) 0.669 2.517 ( -2.046 0.000 1.985) 2.851 2.543 ( 1.431 0.000 -1.362) 1.976 2.580 ( -2.050 0.000 0.436) 2.096 2.595 ( -2.437 0.000 -0.888) 2.594 2.638 ( -3.882 0.000 -0.697) 3.944 2.747 ( 3.136 0.000 0.767) 3.228 2.821 ( 0.834 0.000 -0.131) 0.844 2.832 ( 1.083 0.000 0.543) 1.211 2.899 ( -2.254 0.000 -0.379) 2.286 2.912 ( -0.559 0.000 1.894) 1.975 3.091 ( -0.599 0.000 -0.008) 0.599 3.100 ( -0.384 0.000 0.329) 0.505 3.117 ( -0.181 0.000 -0.075) 0.196 3.120 ( 0.479 0.000 -0.410) 0.630 3.164 ( 0.348 0.000 1.374) 1.418 3.186 ( -1.254 0.000 0.196) 1.269 3.202 ( 2.057 0.000 0.655) 2.158 3.221 ( 1.393 0.000 -0.634) 1.531 3.305 ( -0.733 0.000 -0.237) 0.770 3.313 ( -1.016 0.000 0.405) 1.094 3.380 ( -0.221 0.000 1.512) 1.528 3.426 ( 1.144 0.000 -0.720) 1.351 3.450 ( -0.204 0.000 -0.201) 0.287 3.463 ( 0.135 0.000 0.251) 0.285 3.560 ( -0.655 0.000 -1.656) 1.781 3.581 ( -0.507 0.000 1.760) 1.832 3.803 ( -0.388 0.000 -0.013) 0.388 3.826 ( -0.059 0.000 -0.128) 0.141 3.874 ( -0.493 0.000 0.021) 0.493 3.899 ( 1.207 0.000 -0.415) 1.276 3.997 ( -0.634 0.000 -0.817) 1.034 4.028 ( 0.412 0.000 0.684) 0.798 4.176 ( -0.405 0.000 0.301) 0.504 4.180 ( -0.366 0.000 -0.282) 0.462 4.210 ( 0.924 0.000 -0.104) 0.930 4.212 ( 0.504 0.000 0.236) 0.557 4.467 ( -1.342 0.000 1.234) 1.823 4.536 ( 1.562 0.000 0.819) 1.763 4.578 ( -4.787 0.000 -5.319) 7.156 4.705 ( 2.967 0.000 0.734) 3.057 4.799 ( -5.392 0.000 -2.314) 5.867 4.948 ( 0.815 0.000 -3.261) 3.362 5.374 ( 0.290 0.000 0.416) 0.507 5.385 ( 0.780 0.000 0.262) 0.822 5.393 ( -1.289 0.000 -2.050) 2.421 5.407 ( -0.554 0.000 -0.216) 0.594 5.724 ( 0.481 0.000 -0.302) 0.568 5.737 ( -0.389 0.000 -0.718) 0.817 5.745 ( 1.390 0.000 0.916) 1.665 5.768 ( 1.257 0.000 -0.744) 1.461 5.825 ( -0.128 0.000 0.404) 0.424 5.831 ( 0.641 0.000 -0.376) 0.743 5.850 ( -0.003 0.000 -1.162) 1.162 5.856 ( -0.090 0.000 2.528) 2.530 6.312 ( 0.026 0.000 -0.261) 0.262 6.315 ( 0.015 0.000 0.083) 0.085 6.318 ( -0.019 0.000 0.153) 0.154 6.322 ( 0.204 0.000 -0.166) 0.263 6.819 ( -0.178 0.000 -0.073) 0.192 6.822 ( -0.198 0.000 -0.023) 0.199 6.829 ( -0.389 0.000 0.525) 0.653 6.835 ( -0.062 0.000 -0.819) 0.821 7.129 ( 0.095 0.000 0.002) 0.095 7.130 ( 0.040 0.000 0.084) 0.093 7.145 ( -0.106 0.000 0.007) 0.106 7.145 ( -0.092 0.000 -0.052) 0.106 7.445 ( 0.049 0.000 -0.422) 0.425 7.457 ( 0.349 0.000 0.792) 0.865 7.480 ( -0.553 0.000 0.382) 0.672 7.492 ( 0.474 0.000 -0.831) 0.957 7.555 ( -0.076 0.000 0.142) 0.161 7.561 ( 0.295 0.000 -0.127) 0.321 7.578 ( -0.265 0.000 0.048) 0.270 7.583 ( 0.032 0.000 -0.056) 0.064 7.969 ( -0.296 0.000 -0.599) 0.668 7.976 ( -0.348 0.000 0.425) 0.549 8.125 ( -2.532 0.000 0.354) 2.557 8.215 ( 0.961 0.000 -4.608) 4.708 8.340 ( -1.779 0.000 -0.040) 1.779 8.385 ( 1.222 0.000 -1.156) 1.682 8.480 ( -0.425 0.000 -0.132) 0.445 8.498 ( 0.428 0.000 0.236) 0.488 8.680 ( 0.122 0.000 -0.996) 1.003 8.685 ( -0.373 0.000 0.846) 0.925 8.735 ( 0.251 0.000 1.255) 1.280 8.749 ( 0.237 0.000 1.048) 1.075 12.302 ( -0.078 0.000 -0.165) 0.183 12.304 ( -0.046 0.000 0.111) 0.120 12.338 ( -0.065 0.000 0.072) 0.097 12.339 ( -0.014 0.000 -0.069) 0.070 12.509 ( 0.064 0.000 -0.059) 0.087 12.511 ( 0.016 0.000 0.026) 0.031 12.512 ( 0.099 0.000 0.071) 0.121 12.514 ( 0.079 0.000 -0.070) 0.106 15.462 ( -0.144 0.000 0.146) 0.205 15.474 ( 0.263 0.000 -0.369) 0.453 15.488 ( -0.231 0.000 0.471) 0.525 15.491 ( 0.240 0.000 -0.437) 0.498 15.706 ( 0.292 0.000 0.002) 0.292 15.709 ( 0.327 0.000 -0.923) 0.979 15.783 ( -1.464 0.000 0.278) 1.490 15.785 ( -1.821 0.000 -0.408) 1.866 15.917 ( -0.516 0.000 0.287) 0.591 15.936 ( -0.303 0.000 -0.009) 0.303 15.948 ( 0.815 0.000 0.973) 1.269 15.979 ( 1.800 0.000 0.633) 1.908 16.332 ( -0.164 0.000 0.445) 0.475 16.333 ( 0.193 0.000 -0.591) 0.622 16.483 ( 1.251 0.000 4.191) 4.374 16.527 ( 2.843 0.000 -0.516) 2.890 16.697 ( -5.632 0.000 5.507) 7.877 16.731 ( -1.596 0.000 -1.088) 1.932 16.743 ( 0.065 0.000 -4.602) 4.602 16.825 ( -0.372 0.000 -4.438) 4.454 17.983 ( -0.277 0.000 1.251) 1.281 18.016 ( 3.013 0.000 -2.742) 4.074 18.143 ( -3.175 0.000 -3.317) 4.592 18.263 ( 0.643 0.000 -2.232) 2.323 ======================= Grid point 39 (17/28) ======================= q-point: ( 0.00 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 43 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.381 ( -2.621 11.099 8.191) 14.041 0.480 ( -2.046 7.060 9.761) 12.219 0.576 ( 0.616 8.397 -3.475) 9.109 0.717 ( 1.726 7.260 -4.400) 8.663 0.737 ( -2.053 11.266 3.051) 11.851 0.801 ( -0.153 7.808 1.045) 7.879 0.819 ( 0.242 4.297 -2.362) 4.910 0.833 ( 2.547 9.169 -3.436) 10.117 0.900 ( 1.341 4.581 0.598) 4.810 0.921 ( -0.113 2.875 -1.215) 3.123 0.939 ( -0.037 6.692 2.939) 7.309 0.984 ( 0.645 4.526 -0.452) 4.594 1.030 ( 0.731 4.269 1.826) 4.700 1.038 ( -1.184 5.892 1.265) 6.141 1.097 ( 2.190 4.674 2.447) 5.712 1.122 ( -1.321 4.690 -0.153) 4.875 1.159 ( -0.425 7.336 0.452) 7.362 1.199 ( 1.270 8.915 -0.902) 9.050 1.249 ( 0.958 7.159 4.285) 8.398 1.267 ( -1.364 6.608 3.327) 7.523 1.308 ( -0.828 6.907 1.507) 7.118 1.346 ( 1.509 10.666 0.236) 10.775 1.361 ( -0.364 4.675 -0.805) 4.758 1.400 ( 0.512 5.147 -2.134) 5.596 1.438 ( -1.677 -0.027 -1.561) 2.291 1.464 ( -1.280 0.896 -3.176) 3.540 1.479 ( -0.573 0.220 -0.284) 0.677 1.507 ( -1.239 1.834 0.059) 2.214 1.524 ( 1.150 2.994 -1.010) 3.363 1.555 ( 0.530 2.970 -2.093) 3.672 1.588 ( 0.540 1.524 -5.173) 5.420 1.608 ( 1.068 1.230 -4.416) 4.707 1.655 ( -0.102 1.995 1.347) 2.409 1.668 ( -0.095 0.674 1.161) 1.346 1.725 ( -1.654 0.970 -2.889) 3.467 1.765 ( 0.131 1.447 -3.706) 3.981 1.822 ( -1.391 4.923 0.329) 5.126 1.832 ( 0.619 3.654 -0.300) 3.718 1.916 ( 8.564 0.600 1.592) 8.732 1.943 ( -5.756 0.628 0.391) 5.804 1.982 ( -5.973 -0.401 2.921) 6.661 2.020 ( 3.659 0.121 -0.019) 3.661 2.168 ( 1.233 3.898 0.745) 4.156 2.184 ( -0.600 3.669 -0.535) 3.756 2.222 ( -2.559 -1.852 2.165) 3.830 2.246 ( 1.775 -2.478 -0.660) 3.119 2.320 ( -0.020 -3.001 1.415) 3.318 2.340 ( 0.658 -1.763 -0.288) 1.904 2.483 ( -0.141 0.575 1.381) 1.503 2.514 ( -0.789 0.780 -0.887) 1.421 2.552 ( -1.174 3.070 1.155) 3.484 2.560 ( 1.050 1.394 0.452) 1.803 2.613 ( -0.861 4.559 0.447) 4.661 2.626 ( 0.565 4.223 -0.590) 4.301 2.681 ( 4.202 -2.047 2.017) 5.091 2.730 ( -1.907 -1.273 -2.256) 3.217 2.838 ( -0.441 -1.275 0.637) 1.492 2.844 ( -0.131 -1.670 0.172) 1.684 2.867 ( -0.319 -1.654 1.335) 2.149 2.880 ( 1.045 -1.216 0.589) 1.708 3.081 ( -0.820 0.362 0.120) 0.905 3.087 ( 0.384 -0.040 -0.319) 0.501 3.122 ( 0.104 -0.970 0.947) 1.360 3.140 ( -0.422 -0.949 -0.522) 1.163 3.205 ( 0.492 2.793 0.966) 2.996 3.220 ( 0.139 -0.333 0.681) 0.770 3.231 ( 0.100 0.388 -0.905) 0.989 3.232 ( -0.042 -0.122 -0.330) 0.354 3.288 ( 0.880 -0.697 -0.555) 1.252 3.296 ( -1.158 1.094 -1.213) 2.002 3.372 ( -0.310 -1.491 1.415) 2.079 3.403 ( 0.350 -1.497 -1.323) 2.028 3.441 ( -0.894 -0.862 0.431) 1.315 3.455 ( 1.114 -0.560 -0.966) 1.578 3.532 ( -1.953 -1.426 0.533) 2.476 3.541 ( 1.307 -1.311 -0.299) 1.875 3.850 ( 0.647 1.326 -0.005) 1.475 3.856 ( -0.204 1.034 -0.400) 1.127 3.883 ( -0.656 3.628 1.193) 3.876 3.910 ( 0.119 3.211 -1.042) 3.378 4.001 ( 0.586 -0.037 0.556) 0.809 4.025 ( -0.505 0.429 -1.805) 1.923 4.218 ( -0.797 3.530 0.623) 3.672 4.238 ( 1.133 2.782 -0.876) 3.129 4.249 ( 0.985 2.905 0.766) 3.162 4.285 ( -2.167 4.786 -3.517) 6.323 4.478 ( -3.014 0.708 0.813) 3.201 4.493 ( 6.176 0.292 -0.291) 6.189 4.599 ( 1.058 0.804 3.473) 3.719 4.677 ( -2.865 -1.446 -2.153) 3.865 4.698 ( -4.164 -5.589 1.130) 7.061 4.711 ( 3.494 -4.218 -0.870) 5.546 5.378 ( 0.131 0.424 -0.123) 0.460 5.382 ( -0.316 0.564 -0.471) 0.799 5.398 ( 0.207 0.286 0.447) 0.570 5.404 ( -0.025 0.221 -0.079) 0.236 5.715 ( 0.049 -1.043 -0.152) 1.055 5.720 ( -0.356 -1.125 -0.659) 1.352 5.759 ( 0.776 -1.375 0.527) 1.664 5.762 ( -0.436 -1.589 0.212) 1.662 5.852 ( -0.725 3.144 0.947) 3.362 5.864 ( 0.132 3.155 0.046) 3.158 5.873 ( 0.216 2.295 0.091) 2.307 5.896 ( -0.160 2.883 -2.000) 3.512 6.333 ( 0.121 2.020 0.045) 2.024 6.337 ( -0.223 2.126 -0.214) 2.149 6.342 ( 0.373 1.968 0.280) 2.022 6.347 ( -0.462 1.936 -0.031) 1.990 6.800 ( 0.029 -1.449 -0.089) 1.452 6.801 ( -0.035 -1.430 -0.129) 1.436 6.810 ( -0.099 -1.742 0.130) 1.750 6.810 ( 0.096 -1.795 0.089) 1.800 7.139 ( -0.324 1.144 0.237) 1.213 7.145 ( 0.516 1.286 -0.350) 1.429 7.154 ( 0.105 0.991 0.157) 1.009 7.158 ( -0.266 1.085 -0.117) 1.123 7.422 ( 0.257 -2.215 0.073) 2.231 7.431 ( -0.032 -2.720 -0.574) 2.780 7.445 ( -0.881 -2.036 0.862) 2.380 7.464 ( 0.767 -2.501 -0.642) 2.694 7.591 ( -0.109 2.796 0.227) 2.808 7.595 ( 0.082 2.598 -0.095) 2.601 7.614 ( -0.144 2.790 -0.025) 2.793 7.616 ( 0.383 2.898 -0.156) 2.927 7.992 ( -0.698 1.926 0.491) 2.107 8.019 ( 1.451 2.716 -2.239) 3.807 8.077 ( -0.332 -1.193 0.307) 1.276 8.085 ( -0.569 -1.065 -0.330) 1.251 8.324 ( -0.647 -0.760 1.071) 1.464 8.357 ( 0.312 -1.412 -1.682) 2.218 8.461 ( 0.145 -1.481 0.323) 1.523 8.469 ( -0.382 -1.381 -0.264) 1.457 8.649 ( -0.937 -2.569 0.128) 2.738 8.653 ( 0.946 -2.531 -0.274) 2.715 8.735 ( -0.555 -2.849 0.854) 3.025 8.738 ( 1.233 -3.644 0.883) 3.947 12.294 ( 0.240 -0.619 0.020) 0.664 12.297 ( -0.227 -0.625 -0.179) 0.688 12.324 ( 0.169 -1.052 0.222) 1.089 12.329 ( -0.177 -0.954 -0.146) 0.982 12.500 ( -0.044 -0.961 -0.006) 0.962 12.500 ( 0.040 -0.960 -0.017) 0.961 12.502 ( 0.060 -1.007 0.039) 1.010 12.502 ( -0.032 -1.023 0.026) 1.024 15.485 ( -0.052 1.275 0.638) 1.427 15.499 ( -0.055 1.839 -0.587) 1.931 15.526 ( 0.079 1.424 0.784) 1.627 15.553 ( 0.160 1.510 -1.514) 2.144 15.733 ( -0.294 2.883 0.516) 2.944 15.746 ( 0.626 3.399 -0.495) 3.492 15.779 ( -0.381 1.451 1.216) 1.932 15.822 ( 0.208 2.621 -2.708) 3.774 15.974 ( 0.473 2.338 1.005) 2.588 15.980 ( -0.306 4.122 0.029) 4.134 16.020 ( -0.149 2.557 1.400) 2.919 16.093 ( 1.299 3.968 -5.097) 6.589 16.359 ( -0.146 2.850 1.009) 3.026 16.399 ( -0.113 4.952 -2.487) 5.543 16.521 ( -0.048 -4.649 1.226) 4.808 16.547 ( -4.633 -4.296 -1.627) 6.524 16.623 ( 4.457 -5.175 0.210) 6.833 16.632 ( -2.047 -3.597 -0.365) 4.155 16.704 ( -3.616 -2.333 0.634) 4.350 16.736 ( 8.573 -0.862 -1.243) 8.705 17.862 ( -9.877 -5.361 5.802) 12.648 17.953 ( -0.202 -4.577 2.094) 5.038 17.976 ( 5.121 -5.511 -4.219) 8.626 18.005 ( -0.614 -5.017 -2.154) 5.495 ======================= Grid point 40 (18/28) ======================= q-point: ( 0.25 0.14 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.539 ( 3.228 5.202 2.924) 6.785 0.575 ( 7.679 5.675 -2.393) 9.844 0.638 ( 0.710 6.399 5.072) 8.197 0.694 ( 2.817 6.283 -2.227) 7.236 0.737 ( 1.813 7.772 -4.267) 9.050 0.805 ( 0.396 6.011 0.616) 6.055 0.829 ( 3.791 7.123 -0.881) 8.117 0.860 ( 3.977 7.164 0.199) 8.197 0.892 ( 0.232 4.461 -0.531) 4.499 0.923 ( -0.561 2.590 0.845) 2.782 0.948 ( -2.561 11.353 -0.623) 11.655 0.958 ( -1.312 3.335 -1.512) 3.889 1.013 ( 0.782 6.446 -0.627) 6.524 1.056 ( -0.897 4.717 0.579) 4.837 1.114 ( 1.140 4.615 -1.601) 5.016 1.148 ( 3.083 6.764 0.001) 7.433 1.157 ( -1.255 6.889 -0.741) 7.042 1.209 ( 1.712 10.027 -0.574) 10.189 1.257 ( 0.021 5.579 -3.222) 6.442 1.307 ( 0.588 7.307 0.079) 7.331 1.316 ( 0.252 5.245 0.071) 5.251 1.359 ( 0.217 6.376 -0.268) 6.386 1.375 ( 0.760 3.059 -2.835) 4.239 1.395 ( 3.599 7.226 1.516) 8.214 1.427 ( 1.035 2.667 3.927) 4.859 1.437 ( -0.612 1.173 2.925) 3.210 1.491 ( -0.730 1.330 2.324) 2.775 1.508 ( -0.701 3.611 -0.519) 3.714 1.525 ( 1.346 2.535 1.090) 3.070 1.541 ( -2.086 1.729 -1.857) 3.285 1.561 ( 1.058 2.445 0.442) 2.701 1.583 ( -0.151 3.643 0.257) 3.655 1.658 ( -0.958 1.319 -0.219) 1.645 1.678 ( -0.225 0.026 -0.517) 0.564 1.714 ( -1.184 1.319 1.934) 2.623 1.737 ( 0.787 1.763 2.636) 3.267 1.775 ( -6.102 1.505 -1.163) 6.391 1.812 ( -2.677 0.482 -0.851) 2.850 1.837 ( -0.469 4.321 -0.881) 4.434 1.890 ( -7.209 1.965 3.197) 8.127 2.034 ( 3.091 0.162 -0.669) 3.167 2.057 ( 1.108 -0.870 -0.939) 1.693 2.167 ( 0.455 4.477 -1.068) 4.625 2.180 ( -3.778 -1.571 2.573) 4.833 2.194 ( 0.082 4.368 -0.226) 4.375 2.275 ( 1.861 -2.048 -1.353) 3.080 2.344 ( 1.272 -3.296 -0.406) 3.556 2.362 ( 2.471 -2.809 -0.761) 3.817 2.481 ( -1.098 1.302 -0.186) 1.713 2.504 ( -0.520 -0.143 0.987) 1.125 2.527 ( -2.674 3.974 -0.006) 4.790 2.569 ( 0.092 -0.278 -0.113) 0.314 2.613 ( 0.741 4.551 -0.512) 4.639 2.636 ( 0.324 3.643 -0.571) 3.702 2.668 ( 1.096 0.599 -1.417) 1.889 2.726 ( -1.468 -1.087 0.611) 1.926 2.830 ( -1.430 0.099 0.038) 1.434 2.838 ( -0.288 -0.096 0.118) 0.326 2.862 ( 0.546 -3.330 -0.090) 3.375 2.913 ( 0.762 -1.922 -0.681) 2.176 3.081 ( 0.553 -0.235 0.182) 0.628 3.097 ( 0.867 0.300 0.278) 0.959 3.122 ( -0.177 -0.310 -0.104) 0.372 3.134 ( -0.540 -1.506 0.320) 1.632 3.187 ( -1.749 1.785 -0.397) 2.530 3.199 ( -1.487 0.137 0.107) 1.497 3.223 ( -0.831 0.354 -0.449) 1.009 3.242 ( 0.444 2.223 -0.081) 2.268 3.292 ( 1.407 -0.675 0.622) 1.679 3.314 ( 1.833 -0.395 -0.261) 1.894 3.375 ( -0.564 -1.572 0.068) 1.671 3.390 ( -0.488 -1.170 0.014) 1.267 3.427 ( -1.090 -1.494 0.427) 1.898 3.459 ( 0.318 -0.355 -0.517) 0.703 3.511 ( -1.207 -1.137 0.943) 1.907 3.566 ( 1.481 -2.281 -0.236) 2.730 3.852 ( 0.627 1.997 -0.321) 2.118 3.869 ( 1.427 0.394 -0.355) 1.522 3.884 ( -0.251 4.560 0.338) 4.579 3.915 ( -0.362 2.345 0.272) 2.388 3.995 ( -0.734 0.771 -0.314) 1.109 4.021 ( 0.379 -0.925 0.334) 1.054 4.211 ( -0.646 2.904 0.588) 3.032 4.226 ( -0.908 3.422 -0.604) 3.591 4.240 ( 0.147 2.975 -0.514) 3.022 4.262 ( -1.545 3.508 0.897) 3.936 4.471 ( 2.137 -1.278 0.604) 2.562 4.538 ( 1.630 1.408 -1.892) 2.867 4.609 ( -1.367 0.187 -2.748) 3.075 4.654 ( -2.253 -5.201 0.555) 5.695 4.717 ( 4.807 -0.711 3.062) 5.744 4.781 ( 4.344 -5.816 0.839) 7.307 5.372 ( -0.165 0.320 0.206) 0.415 5.386 ( 0.356 0.627 0.235) 0.758 5.395 ( -0.355 0.328 -0.411) 0.634 5.402 ( -0.220 0.070 0.061) 0.238 5.707 ( -0.641 -1.064 0.046) 1.243 5.715 ( -0.214 -0.961 0.537) 1.122 5.742 ( -1.371 -2.053 -0.362) 2.494 5.765 ( -0.192 -0.493 -0.243) 0.582 5.854 ( -0.164 3.495 0.532) 3.539 5.865 ( -0.252 3.069 0.183) 3.085 5.870 ( -0.470 3.201 0.025) 3.235 5.890 ( 0.576 1.369 -0.129) 1.491 6.330 ( -0.341 2.037 0.053) 2.066 6.336 ( 0.019 2.042 0.080) 2.044 6.341 ( 0.149 1.919 -0.258) 1.942 6.353 ( 0.150 2.131 0.273) 2.153 6.802 ( 0.236 -1.432 0.076) 1.454 6.804 ( 0.271 -1.698 -0.017) 1.720 6.810 ( 0.067 -1.511 -0.029) 1.512 6.815 ( 0.297 -1.972 -0.036) 1.995 7.136 ( -0.085 1.138 0.071) 1.144 7.148 ( 0.080 0.912 -0.283) 0.958 7.154 ( 0.145 1.439 0.152) 1.455 7.165 ( 0.452 1.304 0.083) 1.382 7.419 ( -0.265 -2.208 -0.287) 2.243 7.430 ( 0.172 -2.473 0.176) 2.486 7.444 ( -0.587 -2.239 0.800) 2.449 7.469 ( 0.873 -2.317 -0.716) 2.577 7.588 ( -0.406 2.595 0.108) 2.629 7.592 ( -0.065 2.682 -0.177) 2.688 7.611 ( 0.066 2.677 0.051) 2.679 7.623 ( 0.438 3.419 -0.165) 3.451 7.984 ( -0.753 1.946 0.401) 2.125 8.011 ( 0.613 2.221 -0.792) 2.437 8.089 ( 0.617 -2.545 1.040) 2.817 8.102 ( 1.669 -1.974 0.003) 2.585 8.331 ( -0.912 -0.979 1.613) 2.095 8.342 ( 0.476 -0.663 -0.848) 1.177 8.461 ( -0.159 -1.366 0.003) 1.376 8.470 ( 0.082 -1.323 0.364) 1.374 8.638 ( -0.465 -2.421 0.281) 2.481 8.668 ( 0.839 -2.576 -0.220) 2.718 8.724 ( -0.818 -3.073 -0.340) 3.198 8.751 ( 0.367 -3.007 -0.914) 3.165 12.292 ( 0.001 -0.602 -0.050) 0.604 12.300 ( 0.305 -0.613 0.019) 0.685 12.323 ( -0.142 -1.025 -0.067) 1.037 12.330 ( 0.061 -0.953 0.110) 0.962 12.498 ( -0.163 -0.953 0.018) 0.967 12.500 ( 0.002 -1.035 -0.011) 1.035 12.502 ( -0.012 -0.964 -0.029) 0.965 12.502 ( -0.078 -1.038 -0.028) 1.041 15.492 ( 0.182 1.349 -0.420) 1.425 15.494 ( -0.053 1.686 0.497) 1.759 15.516 ( -1.000 1.702 -0.029) 1.975 15.550 ( 0.208 2.197 -0.128) 2.211 15.735 ( -0.283 3.135 0.319) 3.164 15.748 ( 0.651 3.974 -0.682) 4.084 15.788 ( 0.040 1.437 0.779) 1.635 15.829 ( 2.828 1.202 -0.506) 3.115 15.970 ( -0.471 2.926 -0.432) 2.995 15.985 ( -0.169 2.861 -0.006) 2.866 16.013 ( -2.660 4.395 -0.861) 5.209 16.031 ( -1.876 3.816 0.611) 4.296 16.366 ( -0.285 3.691 0.096) 3.704 16.379 ( -0.189 3.944 0.526) 3.984 16.472 ( -3.101 -3.283 1.215) 4.676 16.553 ( -2.388 -2.177 -2.480) 4.073 16.578 ( 0.159 -3.322 3.168) 4.594 16.667 ( -0.699 -4.012 0.251) 4.080 16.705 ( 3.669 -7.302 -0.004) 8.172 16.821 ( 6.397 -3.298 -5.527) 9.074 17.857 ( -2.606 -4.291 6.243) 8.010 17.972 ( 0.064 -4.393 -1.637) 4.689 17.981 ( -0.766 -5.356 2.839) 6.110 18.039 ( 6.250 -8.065 -0.954) 10.248 ======================= Grid point 41 (19/28) ======================= q-point: (-0.50 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 43 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.518 ( -11.458 7.035 -0.829) 13.471 0.567 ( 6.436 4.925 -3.973) 9.025 0.624 ( -3.356 6.984 0.954) 7.807 0.708 ( 3.353 7.199 -3.223) 8.571 0.792 ( 3.582 7.768 0.472) 8.567 0.829 ( -1.498 1.470 0.536) 2.167 0.854 ( -1.995 10.310 -0.029) 10.501 0.882 ( 0.397 4.775 -0.497) 4.817 0.902 ( 0.675 2.941 0.963) 3.167 0.921 ( 0.451 5.974 -0.937) 6.064 0.942 ( 0.141 2.849 0.414) 2.883 0.968 ( -0.125 5.708 0.209) 5.713 1.029 ( 3.364 6.331 1.344) 7.294 1.052 ( -1.957 3.739 1.855) 4.610 1.103 ( -1.933 7.398 -0.229) 7.650 1.135 ( 2.346 5.775 -0.973) 6.308 1.154 ( -0.779 9.136 -2.613) 9.534 1.201 ( -0.458 4.569 -3.134) 5.560 1.261 ( -2.246 8.750 -1.067) 9.096 1.280 ( -1.802 6.489 -1.211) 6.843 1.321 ( -0.970 7.687 -0.936) 7.804 1.332 ( 3.215 6.649 -0.811) 7.430 1.394 ( 3.157 5.187 0.713) 6.114 1.415 ( -2.904 5.701 -0.912) 6.463 1.452 ( 0.441 3.778 1.543) 4.105 1.471 ( -0.130 3.106 -0.034) 3.109 1.497 ( -1.720 0.122 2.731) 3.230 1.526 ( -0.170 3.453 1.651) 3.831 1.534 ( 2.677 3.908 1.452) 4.954 1.554 ( 1.402 0.239 -1.491) 2.060 1.575 ( -0.004 1.938 1.487) 2.443 1.606 ( 0.437 1.690 1.779) 2.492 1.614 ( -0.694 1.230 -2.246) 2.653 1.647 ( 0.399 1.601 -1.980) 2.577 1.750 ( 2.904 0.374 6.551) 7.176 1.760 ( -0.302 3.931 2.115) 4.474 1.792 ( -0.111 3.003 0.754) 3.099 1.803 ( 0.058 -0.094 2.102) 2.105 1.832 ( 1.978 -0.705 1.016) 2.333 1.879 ( -2.539 3.116 3.259) 5.174 1.993 ( -1.008 -0.595 -4.417) 4.570 2.035 ( -0.341 -0.147 -3.010) 3.033 2.156 ( -2.207 1.149 2.578) 3.583 2.187 ( -0.302 5.116 -0.224) 5.130 2.190 ( 0.259 3.417 1.044) 3.582 2.258 ( 1.294 -1.312 -3.750) 4.178 2.355 ( 0.260 -3.122 0.056) 3.133 2.375 ( 0.543 -2.379 -1.397) 2.812 2.462 ( -1.517 0.649 0.306) 1.678 2.482 ( 0.576 1.639 -1.227) 2.127 2.526 ( 0.098 1.549 1.742) 2.333 2.562 ( -0.258 -1.238 -1.025) 1.628 2.618 ( 0.190 3.713 0.221) 3.725 2.639 ( 0.501 4.375 -1.539) 4.664 2.683 ( -0.857 0.133 1.024) 1.341 2.704 ( 0.889 1.379 -0.709) 1.787 2.822 ( 0.101 0.886 0.270) 0.932 2.828 ( -0.600 0.677 -0.217) 0.931 2.869 ( -0.281 -3.249 0.940) 3.394 2.902 ( 0.061 -2.111 -1.420) 2.545 3.090 ( -0.199 -1.297 0.431) 1.381 3.104 ( -0.158 -0.977 -0.782) 1.261 3.119 ( -0.917 0.542 0.524) 1.187 3.128 ( 0.674 -0.467 -0.192) 0.842 3.173 ( 0.117 1.102 0.627) 1.273 3.196 ( -0.247 0.514 -0.188) 0.600 3.206 ( 0.944 1.242 -0.265) 1.582 3.227 ( -0.617 0.951 -1.040) 1.538 3.312 ( -0.585 -0.014 0.564) 0.812 3.327 ( 0.889 0.248 -0.811) 1.229 3.375 ( -2.224 -0.717 0.757) 2.456 3.387 ( 2.058 -1.496 -0.376) 2.572 3.424 ( -0.223 -1.821 1.012) 2.095 3.447 ( -0.064 -0.973 -0.984) 1.386 3.528 ( 0.033 -1.777 2.107) 2.757 3.567 ( -0.154 -2.556 -1.264) 2.856 3.865 ( 0.787 1.429 -0.209) 1.644 3.867 ( -0.478 2.599 -0.400) 2.673 3.896 ( -0.622 3.626 0.391) 3.699 3.901 ( 0.658 2.041 -0.021) 2.144 3.994 ( 0.265 -0.243 0.871) 0.942 4.015 ( -0.261 -1.029 -0.867) 1.371 4.211 ( -0.437 2.781 0.569) 2.872 4.223 ( 0.850 2.769 -0.432) 2.928 4.237 ( -1.828 3.068 0.249) 3.580 4.244 ( 1.344 3.172 -0.306) 3.458 4.498 ( -1.438 -0.800 0.508) 1.722 4.524 ( 0.974 1.175 -1.892) 2.431 4.602 ( 2.876 -1.813 0.238) 3.408 4.620 ( -1.627 -4.131 -1.075) 4.569 4.811 ( 0.821 -3.713 3.033) 4.864 4.833 ( -0.756 -4.844 0.844) 4.974 5.377 ( -0.187 0.251 0.421) 0.525 5.384 ( -0.008 0.593 -0.273) 0.653 5.396 ( 0.563 0.172 0.344) 0.682 5.403 ( -0.159 -0.671 -0.078) 0.694 5.704 ( 0.143 -1.143 0.348) 1.203 5.714 ( -0.522 -1.310 -0.220) 1.427 5.732 ( 0.429 -1.622 0.687) 1.813 5.755 ( -0.033 -0.672 -0.892) 1.117 5.860 ( -0.333 2.969 0.415) 3.016 5.862 ( 0.052 2.896 0.212) 2.905 5.868 ( -0.504 3.830 0.583) 3.907 5.887 ( 0.540 1.805 -0.849) 2.066 6.328 ( -0.127 1.896 0.195) 1.911 6.335 ( 0.180 1.861 -0.394) 1.910 6.344 ( 0.124 2.073 0.347) 2.106 6.351 ( -0.311 2.212 -0.130) 2.238 6.806 ( 0.038 -1.525 0.020) 1.526 6.807 ( 0.022 -1.601 0.011) 1.602 6.810 ( -0.094 -1.523 0.133) 1.532 6.816 ( 0.034 -2.016 -0.208) 2.027 7.139 ( 0.065 1.100 0.110) 1.107 7.143 ( 0.000 0.924 -0.236) 0.953 7.161 ( 0.060 1.520 0.371) 1.566 7.167 ( -0.032 1.445 -0.137) 1.452 7.419 ( 0.142 -1.911 0.407) 1.958 7.430 ( -0.053 -2.145 -0.277) 2.164 7.449 ( -0.327 -2.305 0.888) 2.492 7.469 ( 0.449 -2.361 -0.869) 2.555 7.585 ( -0.086 2.568 0.113) 2.572 7.589 ( 0.069 2.627 -0.230) 2.638 7.616 ( 0.047 2.888 0.346) 2.909 7.625 ( 0.109 3.452 -0.329) 3.469 7.986 ( -0.013 1.473 0.691) 1.627 8.006 ( 0.203 1.646 -1.033) 1.954 8.108 ( -0.993 -3.688 1.403) 4.069 8.127 ( 1.301 -3.625 0.023) 3.852 8.336 ( -1.108 -0.807 1.543) 2.064 8.354 ( 1.129 -0.888 0.025) 1.437 8.465 ( 0.153 -1.239 0.544) 1.361 8.471 ( -0.361 -1.415 0.127) 1.466 8.646 ( 0.041 -2.162 1.126) 2.438 8.670 ( 0.119 -2.334 -0.619) 2.418 8.712 ( 0.237 -2.609 -0.321) 2.639 8.730 ( -0.385 -2.671 -1.974) 3.344 12.295 ( 0.129 -0.575 0.157) 0.610 12.300 ( -0.099 -0.583 -0.267) 0.649 12.325 ( 0.143 -1.010 0.227) 1.046 12.329 ( -0.156 -0.999 -0.091) 1.015 12.497 ( 0.004 -1.011 0.069) 1.013 12.499 ( -0.016 -1.063 -0.120) 1.070 12.501 ( -0.018 -1.002 0.016) 1.002 12.501 ( 0.045 -0.969 -0.038) 0.971 15.489 ( -0.634 1.227 0.005) 1.382 15.493 ( 0.464 1.328 -0.240) 1.427 15.521 ( 0.371 2.142 0.954) 2.374 15.542 ( -0.064 2.440 -0.820) 2.575 15.737 ( -0.211 3.240 0.470) 3.280 15.749 ( 0.445 3.753 -0.620) 3.830 15.805 ( -0.700 1.092 1.742) 2.172 15.852 ( 1.421 0.681 -2.031) 2.570 15.958 ( -1.379 1.699 -0.086) 2.190 15.963 ( 1.433 2.454 -0.549) 2.895 16.003 ( -0.787 5.517 0.862) 5.640 16.016 ( 1.001 5.708 -0.137) 5.796 16.368 ( -0.975 4.044 0.681) 4.215 16.379 ( 1.003 3.693 -0.169) 3.831 16.454 ( -1.324 -2.003 1.294) 2.728 16.495 ( 0.226 -1.381 -2.382) 2.763 16.631 ( -0.817 -4.154 4.345) 6.067 16.683 ( 0.587 -5.288 1.074) 5.428 16.719 ( -1.164 -6.364 -0.552) 6.493 16.809 ( 3.653 -4.170 -7.461) 9.295 17.906 ( -0.946 -5.240 4.217) 6.792 17.961 ( 1.259 -4.288 -1.644) 4.761 18.008 ( -2.927 -8.359 5.647) 10.503 18.096 ( 0.747 -9.768 -0.811) 9.830 ======================= Grid point 42 (20/28) ======================= q-point: (-0.25 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.360 ( -9.321 7.966 7.796) 14.530 0.524 ( -13.085 9.116 5.148) 16.757 0.678 ( 2.647 4.660 -0.345) 5.370 0.719 ( 3.679 9.861 -0.850) 10.560 0.745 ( -5.150 3.279 -2.170) 6.479 0.801 ( 0.102 8.339 -0.713) 8.370 0.836 ( -4.132 7.246 2.119) 8.606 0.874 ( -0.700 11.312 -2.816) 11.678 0.888 ( -1.197 4.407 -0.106) 4.567 0.923 ( 0.605 2.232 -0.926) 2.491 0.936 ( -1.285 4.108 -0.142) 4.307 0.967 ( -0.383 3.143 0.179) 3.171 0.997 ( -1.704 3.836 2.854) 5.076 1.027 ( 0.085 9.426 -3.498) 10.054 1.065 ( -2.432 6.579 1.803) 7.242 1.138 ( 0.760 5.809 -0.706) 5.901 1.171 ( 0.792 7.917 1.807) 8.160 1.178 ( -0.284 5.507 0.826) 5.576 1.203 ( 1.185 8.704 -0.755) 8.817 1.250 ( -2.016 10.452 2.019) 10.834 1.307 ( -1.450 6.043 1.717) 6.447 1.347 ( -2.262 6.694 -1.908) 7.319 1.400 ( 2.212 3.874 -0.675) 4.511 1.416 ( -2.271 7.372 -0.413) 7.725 1.458 ( 0.272 0.423 0.661) 0.831 1.488 ( -1.574 -0.147 1.226) 2.000 1.503 ( 0.392 -0.648 0.194) 0.782 1.513 ( -1.907 1.053 -0.170) 2.185 1.527 ( 0.453 6.207 -0.630) 6.255 1.577 ( -0.648 0.602 -0.832) 1.214 1.617 ( 1.430 0.802 -0.657) 1.767 1.626 ( 1.127 2.190 0.665) 2.551 1.642 ( 6.265 2.265 -2.300) 7.048 1.696 ( 4.696 0.463 -2.398) 5.293 1.774 ( 2.850 2.211 -4.325) 5.631 1.786 ( -0.480 2.559 -0.412) 2.636 1.790 ( 0.699 2.606 -2.304) 3.548 1.832 ( 0.563 1.858 -1.403) 2.395 1.840 ( 0.835 0.743 -2.343) 2.596 1.918 ( 1.846 1.280 5.540) 5.978 1.979 ( -0.682 0.607 1.565) 1.812 2.004 ( -0.228 -0.376 1.170) 1.250 2.156 ( -0.985 3.136 0.582) 3.338 2.187 ( 0.038 4.235 1.189) 4.399 2.204 ( -1.196 0.785 2.502) 2.882 2.245 ( 1.911 -1.827 -2.389) 3.564 2.339 ( -2.447 -3.775 0.003) 4.499 2.354 ( -1.145 -2.291 -0.649) 2.642 2.475 ( 1.369 0.554 0.988) 1.777 2.491 ( 1.612 1.229 0.521) 2.093 2.537 ( 0.052 1.389 -0.430) 1.455 2.551 ( -0.230 1.606 1.078) 1.948 2.607 ( -0.874 3.815 -0.422) 3.937 2.618 ( -0.366 3.494 0.421) 3.538 2.661 ( -1.618 3.127 -0.719) 3.593 2.739 ( 2.539 -0.388 -0.094) 2.570 2.828 ( 0.641 0.322 0.406) 0.824 2.836 ( 0.537 0.294 0.487) 0.782 2.864 ( -1.663 -2.940 -0.833) 3.479 2.881 ( -1.239 -1.890 1.435) 2.677 3.084 ( -0.098 -0.681 -0.076) 0.692 3.098 ( -0.898 0.255 0.320) 0.987 3.114 ( -0.444 -0.877 0.434) 1.075 3.139 ( 0.980 -0.785 -0.094) 1.259 3.185 ( 0.588 1.974 -0.375) 2.094 3.200 ( 0.828 -0.419 0.479) 1.044 3.215 ( 1.575 -0.121 -0.254) 1.600 3.242 ( 0.873 1.869 0.020) 2.063 3.306 ( -0.136 0.863 -0.071) 0.877 3.313 ( -1.413 -0.207 -0.542) 1.527 3.356 ( -0.301 -1.461 0.994) 1.793 3.408 ( 0.896 -1.267 -0.771) 1.732 3.436 ( 0.470 -0.910 0.242) 1.052 3.449 ( 0.865 -1.036 -0.098) 1.353 3.536 ( -0.513 -2.056 -0.659) 2.219 3.551 ( -0.687 -1.914 0.781) 2.179 3.849 ( -0.425 2.543 -0.152) 2.583 3.867 ( -0.648 -0.183 -0.150) 0.690 3.885 ( -0.522 3.923 0.101) 3.959 3.920 ( 0.477 1.717 0.043) 1.782 3.997 ( -0.302 -0.071 -0.310) 0.439 4.029 ( 2.152 0.341 -0.268) 2.195 4.212 ( -0.145 3.106 0.518) 3.153 4.227 ( 1.224 3.129 -0.539) 3.403 4.234 ( 0.611 2.533 -0.074) 2.606 4.276 ( 3.267 3.949 -0.062) 5.125 4.473 ( -1.799 0.018 0.676) 1.922 4.536 ( -0.295 -1.169 -1.659) 2.051 4.566 ( -1.334 0.417 -0.137) 1.404 4.655 ( 2.797 -4.339 0.205) 5.166 4.773 ( -5.045 -2.657 -0.667) 5.741 4.799 ( -6.019 -6.944 -0.030) 9.189 5.383 ( 0.076 0.705 0.190) 0.734 5.384 ( 0.192 -0.142 -0.403) 0.468 5.392 ( -0.116 0.720 -0.013) 0.729 5.403 ( 0.023 -0.491 -0.051) 0.494 5.712 ( 0.616 -1.208 -0.280) 1.385 5.727 ( 1.376 -1.601 0.832) 2.269 5.738 ( 0.006 -1.068 -1.348) 1.720 5.753 ( 0.554 -1.339 0.757) 1.635 5.855 ( -1.164 2.758 0.753) 3.087 5.861 ( 0.042 2.878 -0.029) 2.879 5.869 ( 0.350 2.872 -0.105) 2.895 5.906 ( 1.969 2.786 -0.762) 3.496 6.331 ( 0.076 1.885 0.170) 1.894 6.334 ( 0.271 1.850 -0.164) 1.877 6.344 ( -0.206 2.190 -0.246) 2.213 6.352 ( -0.128 1.901 0.423) 1.952 6.804 ( -0.171 -1.494 -0.111) 1.508 6.805 ( -0.135 -1.477 -0.003) 1.483 6.809 ( -0.249 -1.792 0.077) 1.810 6.812 ( -0.240 -1.786 0.023) 1.803 7.138 ( 0.032 1.006 0.020) 1.007 7.146 ( 0.186 1.073 -0.106) 1.094 7.157 ( -0.531 1.184 -0.116) 1.303 7.165 ( -0.299 1.339 0.033) 1.373 7.423 ( 0.057 -1.817 -0.548) 1.899 7.430 ( 0.276 -2.227 0.336) 2.269 7.451 ( -0.728 -2.342 0.489) 2.501 7.463 ( 0.321 -2.417 -0.656) 2.525 7.587 ( 0.074 2.754 0.183) 2.761 7.590 ( 0.377 2.547 -0.095) 2.576 7.617 ( -0.212 2.975 -0.414) 3.011 7.619 ( -0.201 2.991 0.147) 3.002 7.994 ( -0.297 1.434 0.513) 1.552 8.002 ( 1.571 1.979 -0.922) 2.690 8.099 ( -1.377 -2.122 0.406) 2.562 8.128 ( -0.968 -4.435 -1.545) 4.795 8.331 ( -1.290 -0.590 0.481) 1.497 8.365 ( 0.999 -1.507 -1.008) 2.071 8.463 ( -0.457 -1.485 -0.071) 1.555 8.474 ( -0.047 -1.442 0.199) 1.456 8.655 ( -0.209 -2.247 -0.494) 2.310 8.658 ( -0.274 -2.159 -0.129) 2.180 8.705 ( -0.132 -2.688 0.669) 2.773 8.724 ( 0.291 -2.321 0.912) 2.511 12.294 ( -0.086 -0.584 -0.184) 0.618 12.299 ( 0.049 -0.568 0.125) 0.584 12.323 ( -0.206 -1.122 -0.073) 1.143 12.330 ( 0.072 -0.948 0.082) 0.954 12.499 ( 0.122 -0.945 -0.051) 0.954 12.499 ( 0.092 -1.071 0.057) 1.076 12.501 ( 0.026 -0.965 0.009) 0.965 12.502 ( 0.036 -1.036 -0.011) 1.036 15.482 ( -0.423 1.021 0.315) 1.150 15.501 ( 0.630 1.683 -0.046) 1.798 15.520 ( -0.328 1.790 -0.304) 1.845 15.554 ( 1.528 1.632 -0.313) 2.257 15.735 ( -0.578 2.984 0.330) 3.057 15.746 ( 0.201 3.489 -0.538) 3.536 15.792 ( -2.337 0.701 0.557) 2.503 15.849 ( 1.137 1.709 -1.748) 2.697 15.949 ( 0.230 1.744 0.575) 1.850 15.985 ( 0.138 3.770 -0.176) 3.777 15.999 ( 1.033 3.099 0.286) 3.279 16.075 ( 6.289 6.469 -2.219) 9.291 16.357 ( -0.692 2.419 0.349) 2.541 16.414 ( 2.492 5.490 -1.689) 6.261 16.481 ( 3.571 0.119 3.779) 5.201 16.494 ( 1.793 -2.875 -0.708) 3.462 16.655 ( -3.515 -3.654 3.607) 6.222 16.666 ( -0.595 -6.049 -2.246) 6.479 16.690 ( -1.073 -3.860 -2.041) 4.496 16.761 ( -0.720 -4.179 -2.690) 5.022 17.932 ( -0.631 -4.877 1.923) 5.281 17.964 ( 2.569 -4.766 -2.750) 6.072 17.997 ( -9.706 -13.173 4.820) 17.058 18.056 ( -1.246 -7.205 -2.865) 7.853 ======================= Grid point 43 (21/28) ======================= q-point: ( 0.00 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 43 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( 1.335 9.517 5.287) 10.969 0.660 ( -2.780 8.645 2.185) 9.340 0.739 ( 0.477 5.486 -0.613) 5.541 0.807 ( 1.937 4.070 -3.783) 5.885 0.835 ( -2.176 4.741 1.729) 5.496 0.873 ( 1.293 1.912 -1.186) 2.595 0.898 ( -0.029 1.662 0.441) 1.720 0.918 ( 0.237 1.132 -1.324) 1.758 0.930 ( 0.109 0.336 0.809) 0.883 0.962 ( -0.225 3.826 -1.826) 4.246 1.048 ( 0.683 2.134 4.388) 4.927 1.137 ( 2.814 8.497 -2.157) 9.207 1.164 ( -0.804 2.258 1.387) 2.770 1.195 ( -0.357 2.296 -0.674) 2.419 1.254 ( -0.859 6.911 0.401) 6.976 1.297 ( 0.967 7.254 -0.574) 7.341 1.339 ( -0.563 4.029 1.834) 4.462 1.370 ( -1.006 2.862 0.136) 3.037 1.378 ( -1.193 7.353 0.134) 7.451 1.420 ( -1.350 6.267 1.328) 6.547 1.444 ( 0.765 3.685 0.119) 3.765 1.455 ( -0.159 5.726 1.055) 5.824 1.479 ( -0.904 8.078 0.092) 8.129 1.486 ( 0.424 4.396 0.890) 4.505 1.518 ( 0.821 3.629 0.526) 3.758 1.535 ( -0.775 5.649 -1.142) 5.815 1.551 ( -0.538 5.742 -1.555) 5.974 1.579 ( 2.065 2.772 -0.221) 3.464 1.591 ( -0.261 7.746 0.741) 7.785 1.626 ( -0.164 1.747 -0.953) 1.997 1.647 ( 1.158 3.471 -1.368) 3.906 1.667 ( -1.790 5.202 -2.398) 6.001 1.705 ( 1.152 1.596 -0.717) 2.095 1.740 ( 0.080 3.789 -2.128) 4.346 1.780 ( -0.948 4.311 -1.027) 4.532 1.803 ( 0.159 4.846 -3.197) 5.807 1.894 ( 0.566 1.047 1.253) 1.729 1.904 ( 0.234 1.013 0.171) 1.054 1.966 ( 0.373 4.310 1.343) 4.530 1.995 ( -1.472 4.593 -0.997) 4.925 2.025 ( 0.552 4.666 1.010) 4.806 2.038 ( -0.035 2.167 0.422) 2.208 2.176 ( -1.768 -1.796 0.800) 2.644 2.193 ( 0.585 -0.265 -0.345) 0.729 2.206 ( 0.387 -0.961 0.689) 1.244 2.239 ( 0.954 -0.450 -1.918) 2.189 2.276 ( -0.032 -0.962 1.690) 1.945 2.307 ( 0.365 -0.470 -0.813) 1.007 2.530 ( -0.282 3.403 0.853) 3.520 2.550 ( -0.225 2.494 -0.551) 2.564 2.593 ( 0.527 1.018 1.770) 2.109 2.617 ( 0.202 2.178 -0.320) 2.210 2.663 ( -0.616 2.534 2.002) 3.287 2.699 ( -0.536 0.787 0.410) 1.037 2.723 ( 0.496 3.474 -1.279) 3.735 2.733 ( 0.416 2.986 -2.184) 3.723 2.822 ( 0.304 0.421 0.694) 0.866 2.831 ( -0.010 0.981 -0.424) 1.069 2.859 ( -0.468 0.750 1.183) 1.477 2.876 ( 0.088 0.941 -0.075) 0.949 3.080 ( 0.992 -1.136 0.374) 1.554 3.085 ( -0.726 -2.056 0.669) 2.281 3.089 ( -0.641 -0.206 -0.457) 0.814 3.106 ( -0.031 -2.338 -0.849) 2.487 3.184 ( 0.969 -2.090 0.614) 2.384 3.187 ( 0.341 -2.525 0.881) 2.696 3.199 ( 0.123 -2.215 0.204) 2.228 3.223 ( -1.244 -2.208 -1.195) 2.802 3.309 ( 0.369 1.759 0.657) 1.913 3.329 ( -0.089 0.912 -0.958) 1.325 3.349 ( -0.066 -0.540 1.171) 1.291 3.377 ( 0.110 -0.882 -1.166) 1.466 3.444 ( -1.168 1.374 0.565) 1.890 3.460 ( 1.215 1.250 -0.874) 1.950 3.504 ( -0.754 -0.967 0.459) 1.310 3.510 ( 0.366 -1.307 -0.105) 1.361 3.874 ( -0.487 1.541 0.397) 1.664 3.882 ( 0.707 1.749 -0.226) 1.900 3.958 ( 0.404 2.140 0.616) 2.263 3.972 ( -0.435 2.434 -0.530) 2.529 4.012 ( -0.135 2.021 1.396) 2.460 4.051 ( 0.173 2.137 -1.876) 2.849 4.277 ( -0.874 0.814 0.248) 1.220 4.284 ( 0.640 0.827 -0.304) 1.089 4.310 ( 1.282 2.847 1.285) 3.377 4.349 ( -1.719 1.779 -2.194) 3.307 4.445 ( -2.687 -3.736 1.044) 4.719 4.457 ( 3.738 -3.768 0.269) 5.314 4.621 ( 0.250 1.176 1.866) 2.220 4.630 ( -0.339 -0.558 0.293) 0.716 4.638 ( 0.016 0.447 0.006) 0.447 4.680 ( -0.469 -0.358 -2.470) 2.540 5.382 ( 0.021 0.110 -0.079) 0.137 5.387 ( -0.207 0.031 -0.463) 0.508 5.409 ( 0.053 0.516 0.460) 0.693 5.414 ( 0.131 0.465 0.075) 0.489 5.685 ( 0.112 -1.566 -0.121) 1.574 5.687 ( -0.296 -1.669 -0.369) 1.735 5.713 ( 0.416 -2.447 0.404) 2.515 5.715 ( -0.221 -2.493 0.256) 2.516 5.933 ( -0.070 3.873 0.334) 3.888 5.939 ( 0.025 3.684 0.522) 3.721 5.944 ( 0.172 3.799 -0.332) 3.817 5.958 ( -0.248 2.893 -0.881) 3.034 6.382 ( 0.164 2.369 0.160) 2.380 6.385 ( 0.128 2.143 0.163) 2.153 6.388 ( -0.079 2.227 -0.047) 2.229 6.390 ( -0.273 2.079 -0.080) 2.099 6.761 ( 0.173 -2.103 0.082) 2.111 6.763 ( -0.084 -1.927 -0.095) 1.931 6.767 ( 0.059 -2.085 0.052) 2.086 6.768 ( -0.175 -1.967 -0.100) 1.977 7.166 ( -0.134 1.222 0.211) 1.248 7.171 ( 0.185 1.015 -0.209) 1.052 7.178 ( 0.253 1.120 0.161) 1.159 7.183 ( -0.217 1.114 -0.143) 1.143 7.375 ( -0.094 -2.149 -0.219) 2.162 7.378 ( 0.056 -2.171 -0.414) 2.210 7.396 ( -0.300 -2.414 0.473) 2.478 7.405 ( 0.317 -2.814 -0.281) 2.846 7.657 ( 0.007 3.255 0.097) 3.257 7.659 ( -0.039 3.229 -0.065) 3.230 7.677 ( -0.581 2.883 0.121) 2.943 7.680 ( 0.699 2.887 -0.073) 2.972 8.029 ( -0.417 1.338 0.836) 1.632 8.052 ( -0.072 0.252 -0.935) 0.971 8.053 ( 0.287 -0.770 0.339) 0.889 8.066 ( 0.390 -0.374 -0.724) 0.904 8.314 ( -0.533 0.073 0.468) 0.713 8.332 ( 0.319 -0.650 -0.961) 1.203 8.423 ( 0.202 -2.091 0.337) 2.128 8.432 ( -0.222 -2.116 -0.409) 2.166 8.594 ( -0.697 -2.334 0.056) 2.436 8.599 ( 0.573 -2.372 -0.498) 2.490 8.656 ( 0.751 -3.904 0.964) 4.091 8.664 ( -0.484 -3.776 0.098) 3.808 12.280 ( 0.143 -0.622 0.013) 0.639 12.282 ( -0.154 -0.648 -0.169) 0.687 12.300 ( 0.154 -1.135 0.235) 1.169 12.304 ( -0.136 -1.238 -0.106) 1.250 12.475 ( 0.046 -1.217 0.016) 1.218 12.476 ( -0.047 -1.191 -0.051) 1.193 12.478 ( -0.047 -1.158 0.083) 1.162 12.479 ( 0.068 -1.132 0.016) 1.134 15.488 ( 0.319 -1.101 0.930) 1.477 15.508 ( -0.530 -1.684 -0.098) 1.768 15.518 ( 0.035 -1.403 0.091) 1.406 15.538 ( 0.337 -2.205 -0.907) 2.408 15.809 ( -0.475 3.851 0.936) 3.991 15.826 ( -0.048 3.281 0.755) 3.367 15.837 ( 0.293 4.055 0.100) 4.067 15.882 ( 0.420 3.013 -2.389) 3.869 16.019 ( -0.676 2.527 2.269) 3.463 16.054 ( 0.517 3.336 -0.894) 3.492 16.086 ( -0.528 2.602 1.308) 2.960 16.140 ( 0.894 1.272 -3.099) 3.467 16.372 ( 0.950 -4.219 2.046) 4.784 16.401 ( -2.520 -5.518 1.680) 6.294 16.446 ( 0.134 -3.347 -1.753) 3.781 16.471 ( 0.801 -5.048 -3.042) 5.949 16.525 ( -0.361 0.826 2.499) 2.657 16.585 ( -0.408 1.761 -2.157) 2.814 16.681 ( -3.237 -0.065 0.901) 3.361 16.722 ( 5.351 -0.271 -1.704) 5.623 17.758 ( -4.697 -4.132 4.201) 7.535 17.838 ( -0.565 -5.840 1.790) 6.134 17.849 ( 3.169 -5.712 -3.270) 7.305 17.883 ( 0.533 -5.952 -1.851) 6.256 ======================= Grid point 44 (22/28) ======================= q-point: ( 0.25 0.29 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( 0.833 5.024 -1.248) 5.244 0.712 ( 1.928 4.779 2.091) 5.561 0.760 ( 1.167 5.790 0.238) 5.911 0.800 ( 4.116 5.389 -1.709) 6.993 0.838 ( -0.987 3.732 -0.102) 3.862 0.886 ( 0.688 0.906 -0.419) 1.212 0.904 ( -0.590 0.213 -0.116) 0.638 0.919 ( -0.275 0.489 -0.088) 0.568 0.934 ( 2.351 3.140 -0.015) 3.922 0.996 ( 6.481 6.763 0.741) 9.396 1.064 ( -1.620 5.380 -3.861) 6.818 1.096 ( -0.890 3.539 -2.838) 4.623 1.180 ( -0.409 5.213 0.235) 5.234 1.190 ( 0.465 0.868 3.360) 3.501 1.241 ( -2.211 7.029 0.611) 7.394 1.290 ( -0.394 6.773 0.700) 6.820 1.324 ( -3.171 4.948 -2.017) 6.213 1.374 ( 1.366 5.922 2.024) 6.406 1.392 ( 0.639 2.321 2.006) 3.133 1.420 ( -2.761 2.786 -0.772) 3.997 1.433 ( -1.421 0.570 0.833) 1.743 1.466 ( 0.203 5.153 0.595) 5.192 1.483 ( 1.725 6.065 -2.153) 6.663 1.521 ( 1.252 5.634 -0.491) 5.793 1.525 ( 2.745 5.226 -0.436) 5.919 1.543 ( 1.628 5.091 1.230) 5.485 1.565 ( 0.483 3.646 -0.287) 3.689 1.577 ( 0.821 6.217 -1.064) 6.361 1.586 ( -0.434 7.644 1.014) 7.723 1.624 ( 0.026 4.570 0.610) 4.611 1.644 ( 2.357 3.617 -0.100) 4.319 1.659 ( -0.813 1.428 0.967) 1.906 1.707 ( 0.490 4.926 -1.293) 5.117 1.735 ( 1.059 4.468 0.880) 4.675 1.776 ( -0.208 5.506 0.730) 5.558 1.786 ( 0.328 4.876 1.474) 5.105 1.859 ( -4.139 5.483 -1.434) 7.018 1.873 ( -3.331 4.234 0.315) 5.397 1.933 ( -2.341 6.407 0.339) 6.830 1.965 ( -2.397 3.397 1.388) 4.383 2.034 ( 0.313 0.179 -1.375) 1.422 2.073 ( 1.241 1.537 -0.769) 2.120 2.158 ( -2.000 0.365 2.539) 3.253 2.215 ( 1.371 -0.722 -0.590) 1.658 2.220 ( 2.671 -1.742 -0.457) 3.221 2.252 ( 1.700 -1.683 -0.611) 2.469 2.278 ( -0.938 -1.467 -0.813) 1.922 2.295 ( -0.492 -1.646 -0.054) 1.719 2.519 ( -1.656 1.983 -0.113) 2.586 2.546 ( -0.088 3.698 0.488) 3.731 2.594 ( -1.240 1.956 -1.676) 2.859 2.607 ( -0.693 3.351 0.580) 3.471 2.669 ( -0.211 2.225 0.545) 2.301 2.702 ( 0.405 2.274 0.780) 2.438 2.730 ( 1.829 1.093 -0.864) 2.299 2.748 ( 2.065 3.945 -0.145) 4.455 2.796 ( -1.372 0.330 0.054) 1.412 2.848 ( 0.482 1.325 -0.026) 1.410 2.867 ( -0.172 1.145 0.070) 1.160 2.886 ( 0.744 0.280 -0.173) 0.813 3.071 ( -0.491 -1.214 -0.691) 1.481 3.089 ( -0.010 -1.121 0.784) 1.368 3.094 ( 0.225 -1.609 0.040) 1.625 3.104 ( 0.600 -1.329 0.336) 1.496 3.177 ( -0.310 -1.747 -0.041) 1.774 3.185 ( -1.144 -2.177 -1.384) 2.822 3.207 ( 0.639 -1.484 -0.147) 1.623 3.236 ( 1.083 -2.114 1.195) 2.659 3.316 ( 0.886 1.316 -0.357) 1.626 3.324 ( 0.395 0.944 0.235) 1.050 3.354 ( -0.551 -0.161 -0.697) 0.903 3.369 ( -0.118 -0.972 0.579) 1.137 3.423 ( -2.083 1.540 0.701) 2.684 3.460 ( 0.088 0.628 -0.759) 0.988 3.487 ( -1.354 -0.823 0.490) 1.659 3.518 ( 0.308 -1.940 -0.036) 1.964 3.875 ( 0.269 1.239 0.181) 1.281 3.893 ( 1.125 1.159 -0.636) 1.736 3.953 ( -0.707 1.443 -0.297) 1.634 3.971 ( -0.015 2.334 0.410) 2.370 4.012 ( -1.020 1.269 0.006) 1.628 4.036 ( -0.639 2.913 0.085) 2.984 4.264 ( -0.799 1.254 0.399) 1.540 4.283 ( -0.478 0.895 -0.359) 1.077 4.307 ( -0.024 3.019 -0.627) 3.084 4.328 ( -1.770 2.657 0.902) 3.317 4.425 ( 0.296 -2.727 0.251) 2.755 4.496 ( 1.134 -5.658 -0.982) 5.854 4.600 ( -1.087 1.590 -0.198) 1.936 4.626 ( -0.725 1.288 -0.641) 1.611 4.687 ( 3.112 -2.713 -0.407) 4.148 4.700 ( 2.858 -0.803 1.936) 3.544 5.378 ( -0.239 0.269 0.141) 0.387 5.390 ( 0.357 -0.104 0.175) 0.411 5.406 ( -0.512 0.496 -0.189) 0.737 5.411 ( -0.266 0.491 -0.113) 0.570 5.678 ( -0.511 -1.511 0.010) 1.595 5.685 ( -0.180 -1.620 0.349) 1.667 5.696 ( -1.183 -2.052 -0.150) 2.373 5.727 ( 0.326 -2.587 -0.299) 2.625 5.933 ( -0.182 3.746 0.101) 3.751 5.941 ( 0.155 3.801 -0.112) 3.806 5.944 ( -0.014 3.478 -0.413) 3.503 5.952 ( -0.099 3.598 0.662) 3.660 6.379 ( -0.282 2.385 -0.070) 2.402 6.385 ( -0.010 2.303 -0.151) 2.308 6.387 ( 0.124 2.270 0.036) 2.274 6.397 ( 0.320 1.939 0.196) 1.975 6.761 ( 0.105 -2.045 -0.042) 2.048 6.765 ( 0.088 -1.920 -0.064) 1.923 6.768 ( 0.252 -2.180 0.119) 2.198 6.772 ( 0.259 -1.958 0.029) 1.975 7.162 ( -0.216 1.050 0.013) 1.072 7.168 ( -0.209 0.933 -0.078) 0.960 7.185 ( 0.576 1.341 -0.126) 1.465 7.191 ( 0.625 1.072 0.090) 1.245 7.371 ( -0.152 -2.184 0.134) 2.193 7.379 ( 0.322 -2.079 0.053) 2.105 7.393 ( -0.389 -2.395 0.235) 2.438 7.411 ( 0.549 -2.960 -0.260) 3.022 7.652 ( -0.486 3.186 0.025) 3.223 7.658 ( -0.033 3.335 -0.045) 3.336 7.674 ( 0.079 2.887 0.179) 2.894 7.695 ( 0.893 2.979 -0.274) 3.122 8.017 ( -1.075 0.825 -0.048) 1.356 8.043 ( -0.443 -0.014 0.907) 1.010 8.052 ( -0.603 -0.241 -1.116) 1.291 8.063 ( 0.057 -1.349 0.121) 1.355 8.318 ( -0.186 0.086 0.841) 0.865 8.332 ( 0.904 -0.029 -0.401) 0.989 8.425 ( 0.150 -1.960 -0.125) 1.969 8.435 ( 0.342 -1.959 0.224) 2.001 8.588 ( -0.198 -2.071 0.415) 2.122 8.609 ( 0.822 -2.587 -0.131) 2.718 8.650 ( -0.567 -3.737 -0.418) 3.802 8.674 ( 0.386 -4.087 -0.233) 4.112 12.280 ( 0.077 -0.537 -0.031) 0.543 12.285 ( 0.290 -0.728 0.058) 0.786 12.300 ( -0.100 -1.094 -0.133) 1.107 12.305 ( 0.042 -1.258 0.105) 1.263 12.474 ( -0.121 -1.190 -0.014) 1.197 12.475 ( -0.087 -1.172 0.016) 1.176 12.477 ( -0.098 -1.190 -0.006) 1.194 12.478 ( -0.001 -1.141 -0.048) 1.142 15.492 ( -0.046 -1.245 -0.779) 1.470 15.505 ( -0.450 -0.820 0.698) 1.167 15.514 ( 0.014 -1.724 0.094) 1.726 15.543 ( 0.874 -2.329 -0.265) 2.502 15.817 ( -0.106 4.079 0.619) 4.127 15.831 ( 0.602 3.498 -0.728) 3.623 15.846 ( -0.268 3.495 0.472) 3.537 15.864 ( 0.791 2.372 -0.564) 2.563 16.028 ( -1.341 2.688 1.253) 3.254 16.044 ( 0.136 3.623 -1.601) 3.963 16.092 ( -1.308 2.282 1.507) 3.031 16.111 ( 0.213 3.152 -1.129) 3.355 16.368 ( -0.593 -4.738 -0.384) 4.790 16.416 ( -1.269 -5.584 1.187) 5.848 16.431 ( 0.015 -3.124 1.717) 3.565 16.472 ( 1.884 -1.736 -1.601) 3.021 16.550 ( -0.011 1.453 -0.017) 1.453 16.568 ( 0.433 -0.918 0.630) 1.194 16.636 ( -3.018 0.869 1.144) 3.343 16.757 ( 3.157 -2.304 -3.471) 5.227 17.760 ( -2.498 -4.193 4.321) 6.518 17.851 ( -1.196 -6.340 2.012) 6.758 17.863 ( 0.946 -5.506 -1.415) 5.763 17.873 ( 3.726 -6.848 -2.883) 8.312 ======================= Grid point 45 (23/28) ======================= q-point: (-0.50 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 43 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( 0.671 5.836 1.114) 5.979 0.730 ( -1.681 6.140 2.592) 6.873 0.741 ( -3.478 7.442 -4.425) 9.331 0.792 ( 2.654 4.500 -2.307) 5.711 0.865 ( 1.232 2.054 1.466) 2.808 0.887 ( 0.125 1.155 -0.285) 1.196 0.900 ( 0.604 -0.427 0.183) 0.762 0.906 ( -0.919 0.644 -0.482) 1.222 0.983 ( 0.322 1.277 -2.127) 2.502 1.014 ( 0.279 1.803 -2.645) 3.213 1.015 ( 1.438 3.655 0.124) 3.929 1.060 ( -2.907 6.719 -1.978) 7.583 1.190 ( 1.238 4.651 2.689) 5.513 1.229 ( 0.116 4.054 0.299) 4.067 1.274 ( 0.112 7.401 2.428) 7.790 1.299 ( 0.742 6.416 3.814) 7.501 1.313 ( 1.890 9.103 0.625) 9.318 1.335 ( -1.445 5.290 -1.939) 5.816 1.403 ( -1.214 2.998 -1.804) 3.704 1.409 ( -1.458 0.225 -0.906) 1.732 1.440 ( 1.463 3.733 0.216) 4.015 1.456 ( 0.014 2.943 2.166) 3.654 1.463 ( -1.516 3.862 -0.995) 4.267 1.499 ( -0.104 2.240 -0.782) 2.375 1.520 ( -1.236 0.417 -1.893) 2.299 1.527 ( 0.702 5.875 -2.416) 6.391 1.571 ( -1.940 6.700 1.540) 7.144 1.611 ( 0.594 6.430 -1.146) 6.558 1.625 ( 0.485 2.767 0.353) 2.831 1.633 ( 0.695 4.226 0.457) 4.307 1.660 ( -0.352 3.198 2.888) 4.323 1.698 ( 1.173 7.481 -0.709) 7.605 1.713 ( -2.113 6.830 1.782) 7.368 1.755 ( 2.118 8.559 -1.622) 8.965 1.791 ( 2.406 3.598 3.000) 5.266 1.811 ( -0.413 2.206 0.932) 2.430 1.833 ( 1.762 4.519 2.190) 5.321 1.876 ( -0.115 4.074 -0.725) 4.139 1.901 ( 0.924 7.833 2.248) 8.202 1.966 ( -1.606 3.864 1.829) 4.567 1.998 ( -0.561 1.163 -3.528) 3.757 2.038 ( -0.687 0.319 -1.873) 2.020 2.174 ( -1.454 1.759 2.866) 3.664 2.227 ( 0.961 -1.093 -1.665) 2.212 2.247 ( -1.094 -3.064 0.237) 3.262 2.254 ( 1.053 -0.490 0.213) 1.181 2.270 ( 0.119 -0.199 -0.246) 0.338 2.285 ( 1.124 -3.080 -1.264) 3.514 2.492 ( -0.926 2.032 0.049) 2.234 2.520 ( -0.046 2.752 -2.161) 3.499 2.587 ( 0.215 3.520 0.946) 3.652 2.601 ( -0.059 4.077 -0.058) 4.078 2.680 ( -0.519 1.726 1.289) 2.216 2.719 ( -0.909 0.587 -0.981) 1.461 2.732 ( 1.130 3.569 0.308) 3.756 2.762 ( 0.752 3.192 -1.100) 3.459 2.805 ( 0.315 -0.335 1.452) 1.523 2.839 ( -0.540 0.869 -1.358) 1.700 2.863 ( -0.306 2.003 0.949) 2.238 2.884 ( -0.068 1.401 -0.769) 1.600 3.068 ( 0.316 -0.688 0.103) 0.764 3.080 ( -0.745 -1.179 -0.872) 1.645 3.100 ( -0.001 -1.676 0.630) 1.790 3.109 ( -0.076 -1.421 -0.120) 1.428 3.170 ( 0.503 -1.287 0.371) 1.431 3.188 ( -0.154 -1.480 -0.882) 1.730 3.212 ( 1.538 -1.165 0.980) 2.164 3.233 ( -1.748 -0.844 -0.636) 2.043 3.325 ( -0.295 1.117 0.100) 1.159 3.332 ( 0.527 0.213 -0.449) 0.725 3.360 ( -1.709 -0.693 0.302) 1.869 3.362 ( 1.903 -0.731 0.188) 2.047 3.412 ( -0.226 0.952 1.125) 1.491 3.440 ( -0.066 0.417 -1.281) 1.348 3.493 ( 0.238 -1.141 1.166) 1.649 3.514 ( -0.242 -2.089 -0.669) 2.206 3.881 ( -0.288 0.796 0.319) 0.905 3.896 ( 0.575 1.009 -1.010) 1.539 3.953 ( 0.596 0.838 0.624) 1.203 3.966 ( -0.468 1.431 -0.394) 1.556 4.005 ( -1.285 1.809 0.735) 2.337 4.020 ( 1.008 3.029 -0.533) 3.237 4.263 ( -0.252 1.110 0.543) 1.261 4.275 ( 0.306 0.977 -0.528) 1.152 4.304 ( -1.012 3.224 0.428) 3.406 4.314 ( 0.875 3.382 -0.408) 3.517 4.444 ( 0.090 -3.511 1.367) 3.769 4.482 ( -0.138 -4.784 -1.780) 5.106 4.591 ( 0.141 1.995 -0.073) 2.002 4.603 ( -0.068 1.525 -1.123) 1.895 4.736 ( 0.205 -3.548 1.208) 3.754 4.741 ( -0.113 -3.130 0.857) 3.247 5.380 ( 0.029 0.207 0.387) 0.440 5.389 ( -0.169 0.021 -0.366) 0.404 5.403 ( 0.126 0.347 0.170) 0.406 5.407 ( 0.022 0.474 -0.145) 0.496 5.674 ( 0.116 -1.450 0.157) 1.463 5.680 ( -0.261 -1.520 -0.260) 1.564 5.694 ( 0.216 -1.905 0.929) 2.131 5.718 ( -0.127 -2.389 -1.039) 2.609 5.933 ( -0.119 3.728 0.187) 3.734 5.938 ( 0.150 3.860 -0.273) 3.873 5.949 ( -0.376 3.434 0.311) 3.468 5.952 ( 0.342 3.676 0.066) 3.692 6.377 ( -0.046 2.458 0.073) 2.459 6.382 ( 0.102 2.297 -0.386) 2.331 6.391 ( -0.034 2.220 0.375) 2.251 6.398 ( -0.125 2.050 -0.147) 2.059 6.764 ( 0.094 -2.086 0.116) 2.092 6.766 ( 0.046 -2.035 -0.005) 2.035 6.771 ( -0.083 -2.041 0.042) 2.044 6.773 ( -0.071 -1.935 -0.124) 1.941 7.162 ( -0.016 0.859 0.005) 0.860 7.163 ( 0.036 1.001 -0.075) 1.004 7.193 ( 0.095 1.256 0.093) 1.263 7.195 ( -0.052 1.089 -0.090) 1.094 7.374 ( 0.018 -2.170 0.416) 2.209 7.382 ( 0.060 -2.142 -0.206) 2.153 7.396 ( -0.066 -2.450 0.666) 2.540 7.411 ( 0.103 -2.959 -0.554) 3.012 7.649 ( 0.040 3.263 0.197) 3.269 7.655 ( -0.058 3.363 -0.261) 3.373 7.681 ( 0.001 2.915 0.623) 2.981 7.697 ( 0.076 2.981 -0.635) 3.048 8.010 ( 0.215 0.480 0.191) 0.560 8.025 ( -0.414 -0.189 -0.890) 0.999 8.053 ( -0.356 -1.146 0.808) 1.447 8.066 ( 0.755 -1.696 -0.171) 1.864 8.327 ( -0.418 0.178 0.928) 1.033 8.341 ( 0.468 -0.102 -0.282) 0.556 8.432 ( 0.262 -1.885 0.311) 1.929 8.437 ( -0.259 -1.869 -0.078) 1.889 8.597 ( -0.114 -2.150 1.015) 2.380 8.615 ( 0.160 -2.562 -0.342) 2.590 8.645 ( 0.489 -3.457 0.042) 3.492 8.660 ( -0.594 -3.697 -1.269) 3.954 12.282 ( 0.111 -0.537 0.127) 0.563 12.286 ( -0.098 -0.656 -0.159) 0.682 12.301 ( 0.194 -1.169 0.126) 1.192 12.304 ( -0.196 -1.246 -0.089) 1.264 12.472 ( -0.020 -1.159 0.026) 1.159 12.474 ( 0.020 -1.178 -0.074) 1.181 12.476 ( -0.009 -1.203 0.047) 1.204 12.478 ( 0.005 -1.171 -0.082) 1.174 15.490 ( -0.055 -1.141 -0.212) 1.162 15.492 ( -0.090 -1.314 -0.322) 1.356 15.528 ( 0.019 -1.472 0.867) 1.709 15.545 ( 0.222 -2.008 -0.650) 2.122 15.815 ( -0.566 3.449 0.104) 3.496 15.822 ( -0.278 3.164 -0.310) 3.192 15.857 ( -0.315 3.423 0.579) 3.486 15.874 ( 1.523 2.124 -0.697) 2.705 16.013 ( -1.735 3.451 0.754) 3.936 16.036 ( 1.479 4.138 -1.121) 4.536 16.091 ( -1.557 2.760 1.439) 3.480 16.117 ( 1.934 3.343 -0.585) 3.906 16.375 ( -0.212 -4.596 0.938) 4.695 16.395 ( -0.640 -4.896 -0.520) 4.965 16.445 ( -0.967 -2.841 1.614) 3.407 16.476 ( 1.090 -0.355 -1.285) 1.722 16.555 ( -2.228 -2.689 0.947) 3.618 16.571 ( 2.658 1.626 -0.655) 3.184 16.640 ( -0.961 -0.318 3.062) 3.225 16.737 ( 1.893 -2.167 -5.058) 5.820 17.782 ( -2.332 -5.396 4.339) 7.306 17.849 ( -2.382 -6.666 1.877) 7.323 17.854 ( 1.246 -5.291 -1.973) 5.783 17.900 ( 2.471 -7.998 -1.923) 8.589 ======================= Grid point 46 (24/28) ======================= q-point: (-0.25 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( -5.357 11.937 1.705) 13.195 0.696 ( -5.044 6.692 2.865) 8.856 0.760 ( 0.261 2.534 -0.973) 2.727 0.802 ( 1.379 5.134 -0.692) 5.361 0.872 ( 0.262 4.155 -0.660) 4.216 0.882 ( -0.205 1.380 -0.805) 1.611 0.891 ( -0.953 0.037 0.897) 1.310 0.919 ( 0.779 -0.390 0.053) 0.872 0.946 ( -2.242 1.732 -1.178) 3.068 0.991 ( 0.037 1.292 2.174) 2.529 1.019 ( -0.684 6.573 -1.604) 6.800 1.033 ( 1.713 5.487 1.452) 5.929 1.197 ( -1.979 3.109 -1.091) 3.843 1.216 ( -1.431 2.204 0.598) 2.695 1.281 ( 0.321 10.155 -0.607) 10.178 1.287 ( -0.349 7.546 -1.130) 7.638 1.321 ( 0.115 7.264 -0.803) 7.309 1.378 ( 0.491 8.906 0.708) 8.947 1.401 ( 0.870 7.109 2.366) 7.543 1.407 ( 0.927 2.206 1.370) 2.757 1.437 ( 0.764 0.288 -0.019) 0.817 1.454 ( -1.841 1.779 0.746) 2.667 1.466 ( -2.074 7.966 -1.652) 8.396 1.500 ( 0.157 3.292 0.662) 3.362 1.504 ( 0.650 3.073 0.454) 3.174 1.524 ( 1.671 4.001 1.381) 4.550 1.555 ( -1.585 7.319 0.402) 7.499 1.590 ( -0.854 5.425 -0.168) 5.494 1.614 ( -1.483 2.418 -0.822) 2.953 1.638 ( -1.098 4.080 -0.044) 4.226 1.654 ( -0.133 2.672 -0.797) 2.791 1.706 ( 1.088 4.276 -0.362) 4.427 1.706 ( 0.811 4.313 -1.536) 4.650 1.777 ( -1.151 4.324 -1.598) 4.751 1.801 ( 1.904 2.204 -1.384) 3.224 1.830 ( 0.542 3.009 -0.911) 3.190 1.852 ( 1.292 3.071 -1.677) 3.730 1.890 ( 1.123 3.856 -0.635) 4.066 1.943 ( 1.965 7.448 -0.520) 7.720 1.981 ( 2.525 3.661 2.202) 4.962 2.008 ( 0.426 0.593 -1.752) 1.898 2.017 ( 0.222 3.180 3.344) 4.620 2.189 ( -1.097 1.549 2.359) 3.028 2.201 ( -1.242 -0.245 -1.105) 1.680 2.219 ( -2.091 -3.495 -0.462) 4.099 2.256 ( -0.703 -0.436 -0.105) 0.834 2.268 ( 0.516 -0.004 -0.766) 0.923 2.295 ( 1.620 -1.047 -0.707) 2.054 2.508 ( 1.546 2.267 1.169) 2.982 2.524 ( 1.356 2.170 0.623) 2.633 2.584 ( -0.397 3.181 -0.144) 3.209 2.616 ( 0.864 3.539 -0.274) 3.653 2.663 ( -2.132 1.813 0.500) 2.843 2.697 ( -0.970 1.456 0.910) 1.972 2.748 ( 0.075 2.855 -0.456) 2.892 2.753 ( 0.243 2.842 -1.499) 3.222 2.801 ( -0.125 -0.316 -0.215) 0.402 2.838 ( -0.147 0.849 0.735) 1.133 2.867 ( -0.811 1.790 -0.335) 1.994 2.875 ( -0.186 1.778 0.814) 1.964 3.061 ( 0.293 -1.709 0.169) 1.742 3.088 ( -0.011 -1.038 0.304) 1.082 3.098 ( 0.101 -0.802 0.019) 0.809 3.112 ( 0.023 -1.787 -0.129) 1.792 3.171 ( 0.133 -2.139 -0.213) 2.153 3.182 ( -0.721 -1.488 -0.306) 1.682 3.199 ( -0.117 -1.468 0.194) 1.486 3.245 ( -0.024 -2.080 0.427) 2.123 3.315 ( -1.590 0.785 -0.080) 1.775 3.325 ( 0.147 0.551 -0.158) 0.592 3.344 ( 0.247 -0.020 0.198) 0.317 3.386 ( 0.574 -0.969 -0.505) 1.234 3.437 ( 0.840 1.091 0.891) 1.641 3.443 ( 1.845 0.909 -0.693) 2.170 3.498 ( 0.086 -1.190 -0.305) 1.231 3.512 ( 0.057 -1.492 0.405) 1.547 3.876 ( -0.596 1.185 0.337) 1.369 3.886 ( -0.419 1.473 -0.430) 1.591 3.953 ( -0.224 1.408 -0.265) 1.450 3.974 ( 0.559 2.262 0.161) 2.335 3.997 ( -0.077 1.886 0.640) 1.993 4.053 ( 2.174 1.891 -0.655) 2.954 4.271 ( 0.410 0.885 0.408) 1.057 4.277 ( 0.766 1.061 -0.355) 1.356 4.297 ( -0.410 3.351 0.132) 3.379 4.340 ( 2.970 2.217 0.010) 3.707 4.439 ( -1.546 -2.610 -0.557) 3.084 4.468 ( -0.667 -4.874 0.647) 4.962 4.595 ( 0.527 1.702 0.239) 1.798 4.612 ( 1.680 1.266 -0.004) 2.104 4.689 ( -4.785 -2.728 0.040) 5.508 4.734 ( -1.977 -2.125 -0.604) 2.965 5.384 ( 0.154 0.177 -0.203) 0.310 5.391 ( 0.403 -0.094 0.128) 0.433 5.402 ( -0.056 0.467 0.081) 0.477 5.408 ( 0.119 0.524 -0.019) 0.538 5.680 ( 0.574 -1.560 -0.160) 1.670 5.689 ( 1.016 -1.760 0.363) 2.065 5.700 ( -0.136 -2.093 -0.935) 2.296 5.712 ( 0.143 -2.285 0.860) 2.446 5.931 ( -0.176 3.805 0.099) 3.810 5.937 ( -0.440 4.084 0.162) 4.111 5.944 ( 0.276 3.625 -0.175) 3.639 5.964 ( 0.572 2.705 -0.222) 2.773 6.379 ( 0.071 2.397 0.143) 2.402 6.380 ( 0.138 2.236 -0.110) 2.243 6.393 ( -0.129 2.212 -0.197) 2.225 6.395 ( -0.316 2.054 0.338) 2.105 6.762 ( -0.252 -2.171 -0.089) 2.187 6.765 ( -0.099 -1.990 -0.046) 1.993 6.769 ( -0.224 -2.046 0.031) 2.058 6.771 ( -0.089 -1.913 0.097) 1.918 7.161 ( 0.142 1.076 0.033) 1.086 7.168 ( 0.327 0.911 -0.034) 0.969 7.184 ( -0.754 1.215 -0.048) 1.430 7.192 ( -0.473 1.057 -0.006) 1.158 7.379 ( 0.123 -2.185 -0.434) 2.231 7.381 ( 0.133 -2.140 0.173) 2.151 7.397 ( -0.508 -2.633 0.052) 2.682 7.406 ( 0.030 -2.695 -0.076) 2.696 7.653 ( 0.242 3.259 -0.073) 3.268 7.656 ( 0.291 3.329 0.126) 3.344 7.682 ( -0.500 2.876 -0.408) 2.948 7.686 ( -0.519 2.943 0.328) 3.007 8.019 ( 0.665 0.591 0.086) 0.894 8.029 ( 1.028 0.627 0.240) 1.228 8.056 ( 0.361 -1.533 0.117) 1.579 8.075 ( 0.477 -1.068 -0.786) 1.410 8.324 ( -1.031 0.134 0.360) 1.100 8.340 ( 0.211 -0.608 -0.639) 0.907 8.425 ( -0.594 -2.009 -0.071) 2.096 8.438 ( -0.044 -2.054 0.008) 2.055 8.602 ( -0.540 -2.400 0.261) 2.474 8.609 ( -0.024 -2.314 -0.846) 2.464 8.637 ( -0.321 -3.428 0.299) 3.456 8.660 ( 0.345 -3.505 0.604) 3.573 12.281 ( -0.150 -0.583 -0.117) 0.613 12.285 ( -0.014 -0.639 0.057) 0.642 12.298 ( -0.192 -1.132 -0.035) 1.148 12.305 ( 0.065 -1.281 0.075) 1.285 12.474 ( 0.106 -1.193 -0.001) 1.197 12.475 ( 0.196 -1.148 0.004) 1.165 12.477 ( 0.008 -1.208 0.006) 1.208 12.477 ( 0.013 -1.168 0.023) 1.168 15.480 ( -0.337 -1.263 0.211) 1.324 15.502 ( 0.446 -1.666 0.327) 1.755 15.526 ( -0.436 -1.246 -0.313) 1.357 15.544 ( 0.184 -2.044 -0.277) 2.071 15.808 ( -0.746 3.451 0.673) 3.594 15.819 ( -0.587 2.772 0.722) 2.924 15.843 ( -0.433 4.195 -0.618) 4.263 15.894 ( 1.567 2.574 -1.315) 3.288 16.002 ( -1.036 3.372 1.553) 3.854 16.051 ( 1.576 3.557 -0.916) 3.997 16.083 ( -1.067 3.081 0.888) 3.380 16.144 ( 2.683 1.741 -1.838) 3.689 16.358 ( -1.106 -4.196 0.225) 4.345 16.399 ( -0.961 -4.715 1.726) 5.112 16.457 ( 0.584 -3.143 -0.662) 3.264 16.487 ( 1.712 -3.477 -0.412) 3.898 16.523 ( -1.922 -1.951 0.352) 2.761 16.617 ( 1.020 1.118 -0.639) 1.643 16.653 ( 1.532 1.008 0.455) 1.889 16.707 ( 0.754 -0.935 -2.030) 2.358 17.788 ( -4.971 -6.093 4.544) 9.083 17.831 ( -1.632 -5.754 1.241) 6.108 17.849 ( 2.147 -5.511 -2.874) 6.576 17.898 ( 0.841 -7.015 -1.893) 7.314 ======================= Grid point 47 (25/28) ======================= q-point: ( 0.00 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 43 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( 0.808 2.944 0.339) 3.072 0.758 ( -1.237 1.403 -1.156) 2.199 0.830 ( 0.814 2.897 0.534) 3.057 0.851 ( -0.105 0.231 -1.183) 1.210 0.883 ( -0.085 0.357 -0.427) 0.563 0.884 ( -0.148 0.305 -0.503) 0.607 0.913 ( 0.184 0.206 0.501) 0.572 0.923 ( -0.105 -0.254 -0.323) 0.424 1.034 ( 2.018 6.754 3.953) 8.082 1.105 ( -0.705 5.952 -2.082) 6.345 1.112 ( 2.815 3.136 4.203) 5.952 1.163 ( -2.345 0.992 2.016) 3.248 1.209 ( -0.632 -1.215 -0.298) 1.402 1.265 ( -1.690 -3.910 -0.413) 4.280 1.303 ( 0.484 2.605 -3.860) 4.682 1.326 ( -2.958 0.259 -1.615) 3.380 1.367 ( 3.430 3.780 3.339) 6.099 1.428 ( -0.746 2.545 -1.383) 2.991 1.450 ( -2.341 -0.500 1.288) 2.718 1.485 ( 2.049 -0.476 -1.014) 2.336 1.514 ( 1.658 2.415 1.528) 3.304 1.545 ( -0.355 2.494 0.193) 2.526 1.557 ( -0.673 2.327 -0.048) 2.423 1.562 ( 1.058 3.617 -0.601) 3.816 1.584 ( 0.245 0.383 0.808) 0.928 1.602 ( -0.285 2.665 0.189) 2.687 1.625 ( 1.019 -1.983 -0.747) 2.352 1.638 ( -0.510 1.386 -1.153) 1.873 1.646 ( -0.459 0.618 -1.660) 1.830 1.679 ( -0.983 0.771 -3.171) 3.408 1.711 ( -2.074 -1.739 -0.138) 2.711 1.723 ( 0.570 -1.338 -0.983) 1.756 1.789 ( 1.084 6.156 1.866) 6.523 1.813 ( -0.390 7.185 -0.288) 7.202 1.869 ( -0.106 2.191 1.926) 2.920 1.887 ( 0.509 -1.260 0.698) 1.528 1.935 ( -0.033 1.590 0.154) 1.597 1.952 ( -0.067 2.951 -0.863) 3.075 2.028 ( -0.967 3.592 1.132) 3.888 2.036 ( 1.114 3.289 0.282) 3.484 2.086 ( 0.968 -0.219 0.387) 1.065 2.118 ( 0.173 2.423 -2.182) 3.265 2.150 ( -0.358 -2.579 1.490) 3.000 2.181 ( 0.176 -1.462 -0.579) 1.583 2.232 ( -0.489 1.515 0.358) 1.632 2.237 ( -0.271 -0.006 1.639) 1.661 2.268 ( 0.123 2.739 -2.303) 3.581 2.302 ( -0.210 -0.227 -2.768) 2.785 2.580 ( -1.532 1.429 1.542) 2.601 2.597 ( 0.315 1.157 -0.367) 1.254 2.603 ( 0.834 0.357 1.517) 1.768 2.626 ( 0.549 -0.908 -0.250) 1.090 2.727 ( -0.363 3.107 1.344) 3.405 2.743 ( -0.093 2.443 1.095) 2.678 2.784 ( 1.330 2.081 -0.927) 2.638 2.806 ( -0.781 2.005 -1.635) 2.703 2.842 ( 0.022 2.129 0.243) 2.143 2.854 ( -0.179 1.425 -0.968) 1.732 2.886 ( 0.255 1.021 0.839) 1.346 2.902 ( -0.188 0.411 -0.495) 0.670 3.029 ( 0.259 -1.980 0.562) 2.074 3.044 ( -0.109 -3.060 -0.720) 3.146 3.051 ( 0.357 -1.860 0.209) 1.905 3.058 ( -0.745 -2.372 -0.299) 2.504 3.146 ( 0.016 -0.754 0.178) 0.775 3.150 ( 0.925 -0.974 -0.076) 1.346 3.171 ( -0.204 -0.257 0.660) 0.737 3.181 ( -0.561 -1.305 -0.319) 1.456 3.329 ( -0.080 0.507 0.463) 0.691 3.338 ( 0.305 0.360 -0.179) 0.505 3.340 ( -0.407 -0.483 0.621) 0.885 3.357 ( 0.357 -1.207 -0.650) 1.416 3.478 ( -0.147 1.220 0.254) 1.255 3.484 ( 0.605 0.566 -0.246) 0.864 3.500 ( -0.072 0.323 0.028) 0.332 3.501 ( -0.575 0.286 -0.005) 0.642 3.915 ( -0.187 2.114 0.198) 2.131 3.924 ( 0.150 1.826 -0.632) 1.938 3.974 ( 0.335 -0.634 0.508) 0.879 3.979 ( -0.102 -0.618 0.067) 0.630 4.101 ( -0.177 5.515 0.643) 5.555 4.118 ( 0.147 4.466 -0.758) 4.533 4.221 ( 0.129 -5.290 0.509) 5.316 4.230 ( -0.211 -5.391 -0.235) 5.400 4.358 ( 0.337 1.540 0.280) 1.601 4.372 ( -1.018 0.278 -0.886) 1.378 4.400 ( -0.529 -0.197 0.483) 0.743 4.407 ( 1.149 -0.733 0.026) 1.363 4.641 ( 0.662 0.756 0.627) 1.185 4.644 ( 0.003 0.627 0.817) 1.030 4.662 ( -0.247 1.135 -0.379) 1.222 4.676 ( -0.411 -0.245 -1.118) 1.217 5.387 ( -0.226 0.345 -0.174) 0.447 5.389 ( 0.013 0.179 -0.363) 0.405 5.413 ( 0.078 -0.077 0.372) 0.388 5.415 ( 0.136 -0.259 0.160) 0.334 5.660 ( 0.075 -0.648 -0.067) 0.656 5.661 ( -0.077 -0.726 -0.162) 0.748 5.674 ( 0.344 -1.095 0.190) 1.164 5.674 ( -0.331 -1.135 0.136) 1.190 5.996 ( -0.205 1.842 0.275) 1.873 5.999 ( -0.131 1.586 0.215) 1.606 6.004 ( 0.081 1.639 -0.318) 1.671 6.006 ( 0.230 1.409 -0.251) 1.449 6.419 ( 0.192 0.937 0.208) 0.979 6.419 ( 0.123 0.941 0.148) 0.960 6.423 ( -0.238 0.951 -0.100) 0.985 6.423 ( -0.087 0.904 -0.140) 0.919 6.728 ( 0.092 -0.802 0.064) 0.810 6.730 ( -0.072 -0.956 -0.108) 0.965 6.734 ( 0.097 -0.914 0.078) 0.923 6.735 ( -0.110 -1.035 -0.038) 1.041 7.184 ( -0.123 0.476 0.142) 0.512 7.186 ( -0.104 0.322 0.048) 0.342 7.196 ( 0.182 0.501 0.013) 0.533 7.198 ( 0.117 0.317 -0.122) 0.359 7.343 ( -0.228 -0.672 0.015) 0.710 7.348 ( 0.095 -0.753 -0.325) 0.826 7.354 ( 0.150 -1.214 0.208) 1.241 7.360 ( -0.095 -1.379 -0.227) 1.401 7.712 ( -0.012 1.707 0.042) 1.708 7.713 ( -0.001 1.653 -0.057) 1.654 7.720 ( -0.548 1.002 0.087) 1.146 7.722 ( 0.587 0.917 -0.027) 1.090 8.042 ( -0.171 0.143 0.412) 0.469 8.045 ( -0.458 -0.059 0.630) 0.781 8.052 ( 0.305 0.209 -0.389) 0.537 8.061 ( 0.340 -0.461 -0.644) 0.862 8.333 ( -0.144 1.770 0.119) 1.780 8.339 ( 0.110 1.277 -0.313) 1.320 8.377 ( 0.198 -2.224 0.177) 2.239 8.382 ( -0.169 -2.575 -0.211) 2.589 8.565 ( -0.230 -0.250 -0.005) 0.340 8.567 ( 0.159 -0.436 -0.232) 0.518 8.589 ( 0.406 -2.175 0.439) 2.256 8.594 ( -0.323 -2.504 -0.100) 2.526 12.273 ( 0.038 0.026 0.012) 0.048 12.274 ( -0.040 -0.024 -0.099) 0.110 12.281 ( 0.053 -0.694 0.097) 0.702 12.282 ( -0.049 -0.794 -0.035) 0.796 12.456 ( 0.020 -0.485 0.009) 0.486 12.457 ( -0.024 -0.531 -0.044) 0.533 12.459 ( -0.013 -0.489 0.090) 0.498 12.460 ( 0.036 -0.537 0.037) 0.540 15.459 ( 0.300 -1.017 0.908) 1.396 15.464 ( -0.100 -1.536 0.831) 1.749 15.488 ( -0.288 -0.984 -0.816) 1.311 15.493 ( 0.205 -1.486 -0.844) 1.721 15.868 ( -0.250 1.573 1.371) 2.102 15.873 ( -0.403 1.113 1.638) 2.021 15.909 ( 0.495 2.339 -1.426) 2.784 15.926 ( 0.563 0.805 -2.172) 2.384 16.078 ( -1.113 2.885 2.045) 3.707 16.114 ( -0.776 0.533 0.975) 1.355 16.124 ( 0.519 2.271 -1.004) 2.536 16.156 ( 0.732 -0.163 -1.731) 1.887 16.288 ( 0.779 -2.058 0.639) 2.291 16.301 ( -0.648 -3.084 0.052) 3.152 16.350 ( -0.337 -3.570 -0.469) 3.616 16.354 ( 0.338 -3.979 -0.501) 4.024 16.600 ( -1.152 3.233 2.151) 4.051 16.629 ( -0.917 0.715 0.841) 1.435 16.693 ( -0.017 1.203 -1.248) 1.734 16.716 ( 2.558 -0.633 -1.984) 3.298 17.705 ( -2.477 -0.663 2.722) 3.740 17.736 ( -1.317 -3.478 2.031) 4.237 17.768 ( 2.035 -1.686 -2.415) 3.580 17.784 ( 1.204 -3.113 -1.918) 3.850 ======================= Grid point 48 (26/28) ======================= q-point: ( 0.25 0.43 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( -0.288 2.904 0.095) 2.920 0.764 ( 0.562 0.424 0.724) 1.010 0.841 ( 1.033 1.717 -0.945) 2.216 0.853 ( 0.774 0.197 0.469) 0.927 0.884 ( 0.291 0.366 0.231) 0.521 0.886 ( 0.537 0.809 0.426) 1.060 0.912 ( -0.345 0.384 -0.518) 0.731 0.921 ( 0.025 -0.435 0.272) 0.514 1.041 ( 0.196 5.361 -2.640) 5.979 1.107 ( -0.687 -0.673 -3.853) 3.971 1.152 ( 3.924 5.347 0.759) 6.676 1.197 ( -0.359 5.496 -0.007) 5.507 1.215 ( 0.554 0.818 1.877) 2.121 1.252 ( 0.424 3.404 0.530) 3.471 1.311 ( 0.319 -1.764 0.401) 1.837 1.324 ( 0.481 -1.300 1.862) 2.322 1.363 ( 0.972 1.292 1.202) 2.014 1.394 ( -4.200 -2.022 -1.044) 4.777 1.454 ( 0.346 3.362 0.118) 3.382 1.461 ( -3.596 2.253 0.184) 4.247 1.491 ( -1.665 -0.700 -2.081) 2.755 1.535 ( -0.683 4.835 0.183) 4.886 1.544 ( -0.666 -0.984 0.078) 1.191 1.556 ( -0.910 1.852 -0.465) 2.116 1.579 ( -1.140 0.811 -0.262) 1.423 1.595 ( -0.184 -0.514 0.990) 1.131 1.618 ( 0.785 1.645 0.039) 1.823 1.648 ( 1.338 4.517 -0.336) 4.724 1.652 ( 0.785 -1.396 0.794) 1.787 1.686 ( 3.115 3.048 1.613) 4.648 1.712 ( 0.333 0.279 1.877) 1.927 1.774 ( 4.003 -2.059 0.127) 4.504 1.796 ( 0.012 5.704 -1.620) 5.929 1.823 ( 1.016 4.953 -0.134) 5.058 1.864 ( -0.628 -0.221 0.625) 0.913 1.895 ( -0.816 0.481 -1.091) 1.445 1.927 ( -0.781 2.792 -0.685) 2.979 1.948 ( 0.280 2.312 0.376) 2.359 2.019 ( -1.115 4.128 0.415) 4.296 2.053 ( 0.361 1.675 0.059) 1.714 2.078 ( 0.125 3.787 -2.249) 4.406 2.101 ( -0.694 3.481 0.155) 3.552 2.178 ( 0.920 -1.766 -0.064) 1.993 2.184 ( 1.212 -2.900 0.550) 3.191 2.222 ( -1.351 1.412 0.842) 2.128 2.238 ( -0.289 1.545 -0.446) 1.634 2.244 ( -1.907 -0.655 0.662) 2.123 2.271 ( -0.861 -0.788 0.922) 1.487 2.561 ( -1.963 2.282 0.514) 3.054 2.598 ( -0.139 -0.095 0.433) 0.464 2.623 ( 0.701 1.094 -1.678) 2.122 2.642 ( 1.963 -0.672 -0.364) 2.106 2.736 ( -0.458 4.020 -0.225) 4.053 2.747 ( -0.063 2.815 0.494) 2.859 2.770 ( -0.194 1.908 -1.052) 2.188 2.805 ( -0.004 0.105 0.619) 0.627 2.831 ( 0.236 2.862 0.099) 2.873 2.870 ( 0.964 0.499 0.778) 1.335 2.892 ( 0.257 1.103 -0.563) 1.264 2.910 ( 0.381 0.352 0.096) 0.527 3.035 ( 0.934 -1.028 -0.510) 1.479 3.049 ( 1.394 -1.569 0.555) 2.171 3.059 ( 0.797 -2.189 -0.025) 2.330 3.072 ( 0.777 -2.114 0.267) 2.268 3.141 ( -0.112 -0.968 0.174) 0.990 3.143 ( -0.925 -1.191 -0.703) 1.664 3.187 ( 0.803 -0.347 -0.081) 0.879 3.194 ( 1.459 -1.229 0.301) 1.932 3.330 ( 0.057 0.550 0.085) 0.559 3.339 ( 0.388 0.522 -0.176) 0.674 3.347 ( -0.096 -1.029 0.559) 1.175 3.352 ( 0.064 -0.549 -0.770) 0.948 3.462 ( -1.671 1.497 0.038) 2.244 3.474 ( -0.951 0.267 -0.650) 1.182 3.488 ( -1.040 0.648 0.471) 1.313 3.496 ( -0.665 -0.313 0.406) 0.840 3.908 ( -0.896 1.667 0.304) 1.917 3.919 ( 0.016 1.099 -0.191) 1.115 3.958 ( -1.646 -0.421 -0.093) 1.701 3.972 ( -0.891 -1.170 -0.250) 1.492 4.094 ( -0.795 5.482 0.205) 5.543 4.117 ( -0.093 4.781 -0.185) 4.785 4.219 ( -0.370 -5.695 -0.237) 5.712 4.225 ( -0.445 -4.827 0.293) 4.856 4.361 ( 0.395 2.102 0.056) 2.139 4.377 ( 0.471 1.515 0.519) 1.669 4.398 ( 0.177 -0.080 -0.007) 0.194 4.420 ( 0.735 -1.653 -0.501) 1.877 4.635 ( -0.452 1.351 -0.429) 1.488 4.655 ( 0.638 -0.533 -0.045) 0.833 4.660 ( -0.188 1.261 -0.360) 1.325 4.684 ( 1.043 -0.843 0.865) 1.596 5.385 ( -0.066 0.469 0.251) 0.535 5.391 ( 0.363 0.096 0.117) 0.393 5.408 ( -0.635 -0.061 -0.190) 0.665 5.413 ( -0.269 -0.294 -0.168) 0.433 5.654 ( -0.450 -0.580 0.016) 0.734 5.657 ( -0.289 -0.858 0.113) 0.913 5.668 ( -0.334 -0.437 -0.054) 0.553 5.680 ( 0.149 -1.576 -0.135) 1.589 5.995 ( -0.213 1.872 0.200) 1.895 6.000 ( -0.145 1.466 0.224) 1.490 6.004 ( 0.318 1.828 -0.195) 1.865 6.008 ( 0.323 1.456 -0.169) 1.501 6.418 ( -0.025 1.116 -0.166) 1.129 6.420 ( 0.075 0.890 -0.220) 0.920 6.424 ( 0.072 1.020 0.182) 1.039 6.426 ( 0.219 0.743 0.177) 0.794 6.730 ( 0.199 -0.755 -0.068) 0.784 6.733 ( 0.270 -1.000 0.038) 1.036 6.734 ( 0.076 -0.809 -0.023) 0.812 6.738 ( 0.202 -1.108 0.047) 1.127 7.177 ( -0.431 0.457 0.051) 0.630 7.180 ( -0.389 0.194 0.050) 0.437 7.205 ( 0.677 0.509 -0.155) 0.861 7.206 ( 0.687 0.380 -0.076) 0.789 7.340 ( -0.213 -0.497 0.241) 0.592 7.349 ( 0.326 -0.821 0.027) 0.884 7.354 ( -0.109 -1.159 -0.239) 1.189 7.359 ( 0.047 -1.626 0.190) 1.638 7.706 ( -0.361 1.737 0.064) 1.775 7.715 ( 0.030 1.097 0.131) 1.105 7.718 ( 0.136 1.829 -0.063) 1.835 7.734 ( 0.695 0.575 -0.180) 0.920 8.026 ( -1.391 0.528 0.094) 1.490 8.036 ( -1.291 -0.190 0.129) 1.311 8.047 ( -0.645 -0.415 0.172) 0.786 8.050 ( -0.499 -0.420 -0.421) 0.776 8.338 ( 0.441 1.709 0.162) 1.772 8.348 ( 0.962 1.528 -0.073) 1.808 8.381 ( 0.424 -2.221 -0.077) 2.263 8.390 ( 0.709 -2.293 0.064) 2.401 8.562 ( -0.062 -0.214 0.191) 0.293 8.574 ( 0.539 -0.667 -0.026) 0.858 8.585 ( -0.298 -1.983 -0.204) 2.016 8.599 ( 0.272 -2.597 -0.003) 2.612 12.274 ( 0.101 0.039 -0.030) 0.113 12.275 ( 0.152 -0.113 0.047) 0.195 12.281 ( -0.021 -0.652 -0.047) 0.654 12.283 ( 0.052 -0.785 0.036) 0.788 12.455 ( -0.070 -0.467 -0.012) 0.473 12.456 ( -0.044 -0.520 0.020) 0.522 12.459 ( -0.118 -0.475 -0.018) 0.490 12.460 ( -0.043 -0.553 -0.048) 0.557 15.464 ( 0.018 -0.848 -0.634) 1.059 15.472 ( 0.055 -1.570 -0.358) 1.612 15.482 ( -0.051 -0.796 0.702) 1.063 15.492 ( 0.424 -1.845 0.069) 1.894 15.878 ( -0.472 1.651 0.164) 1.725 15.884 ( -0.231 1.165 0.214) 1.206 15.903 ( 0.201 1.578 -0.124) 1.596 15.906 ( 0.411 1.177 -0.703) 1.431 16.090 ( -0.924 2.920 1.801) 3.553 16.115 ( 0.742 2.821 -1.494) 3.278 16.123 ( -0.611 0.486 1.621) 1.799 16.151 ( 1.091 0.270 -1.053) 1.540 16.281 ( -0.425 -2.306 -0.382) 2.376 16.301 ( -0.512 -3.784 0.091) 3.820 16.344 ( -0.099 -2.702 0.646) 2.780 16.369 ( 1.312 -4.497 -0.468) 4.708 16.610 ( -1.521 2.444 2.360) 3.722 16.623 ( -0.546 1.528 0.331) 1.656 16.673 ( -0.321 2.569 -0.895) 2.739 16.721 ( 1.689 -1.709 -2.431) 3.418 17.707 ( -2.011 -0.574 2.782) 3.480 17.741 ( -1.527 -3.767 2.047) 4.551 17.772 ( 2.299 -2.339 -2.113) 3.902 17.776 ( 1.224 -2.596 -1.982) 3.488 ======================= Grid point 49 (27/28) ======================= q-point: (-0.50 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 43 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( 0.473 2.543 1.669) 3.079 0.776 ( -0.357 0.556 0.218) 0.696 0.858 ( 0.967 0.526 0.513) 1.215 0.870 ( 0.505 -0.435 0.548) 0.863 0.886 ( -0.258 1.637 -0.072) 1.659 0.898 ( -0.548 2.506 -0.227) 2.575 0.906 ( 0.593 0.126 0.358) 0.704 0.920 ( -0.202 -0.110 -0.306) 0.383 1.031 ( 1.022 3.672 -2.340) 4.472 1.064 ( -0.594 1.816 -4.340) 4.741 1.114 ( -0.408 5.884 0.978) 5.979 1.171 ( -1.510 3.091 -2.814) 4.445 1.250 ( -1.100 1.204 0.749) 1.794 1.260 ( 1.140 1.108 0.027) 1.589 1.300 ( -3.047 -3.551 0.777) 4.744 1.315 ( 0.963 -4.123 -0.741) 4.298 1.379 ( -1.186 1.542 1.485) 2.447 1.392 ( 1.181 0.314 0.292) 1.256 1.423 ( -0.269 1.054 0.952) 1.446 1.451 ( 1.893 -0.985 -1.200) 2.449 1.504 ( 1.329 4.654 1.753) 5.148 1.527 ( -0.655 3.030 -0.764) 3.192 1.548 ( 0.712 1.364 1.691) 2.286 1.550 ( -0.626 3.476 0.014) 3.532 1.566 ( 0.147 2.173 -0.377) 2.211 1.615 ( 0.233 1.073 -2.079) 2.352 1.640 ( 0.793 2.482 2.448) 3.575 1.665 ( -0.841 1.005 1.744) 2.181 1.685 ( 1.441 2.862 2.747) 4.221 1.716 ( -2.067 2.653 1.354) 3.625 1.739 ( 0.410 4.597 0.019) 4.615 1.784 ( 1.760 2.051 -2.014) 3.370 1.809 ( -1.987 -0.433 -1.140) 2.331 1.817 ( 0.404 -0.061 -0.812) 0.909 1.850 ( -1.915 -0.754 -0.190) 2.067 1.862 ( 0.749 -2.601 -0.576) 2.767 1.927 ( 1.404 2.407 -0.120) 2.789 1.938 ( -0.411 0.992 -0.834) 1.360 2.022 ( -0.864 4.202 1.865) 4.678 2.048 ( 0.116 2.672 0.001) 2.675 2.066 ( -1.613 5.040 -1.368) 5.465 2.083 ( 2.864 6.080 -1.798) 6.957 2.192 ( -0.019 -2.947 0.660) 3.020 2.202 ( -0.437 -3.031 0.523) 3.107 2.228 ( -1.227 0.967 0.897) 1.801 2.230 ( 0.400 0.331 0.743) 0.906 2.253 ( 0.675 1.329 1.567) 2.163 2.274 ( 0.993 -0.030 0.073) 0.996 2.544 ( -0.923 3.142 0.759) 3.361 2.584 ( 0.166 2.845 -2.311) 3.669 2.614 ( -0.500 -1.926 0.758) 2.129 2.651 ( 0.520 -2.320 -1.748) 2.950 2.723 ( -0.373 3.717 -0.049) 3.736 2.734 ( -0.279 3.309 -0.790) 3.413 2.788 ( 1.054 1.960 1.030) 2.453 2.803 ( -0.255 0.815 -0.120) 0.863 2.849 ( 0.267 2.343 0.932) 2.535 2.869 ( -0.571 0.778 -0.631) 1.153 2.900 ( 0.058 1.104 0.678) 1.297 2.912 ( 0.297 0.182 -0.222) 0.413 3.054 ( 1.194 -0.606 -0.029) 1.339 3.060 ( -1.435 -0.713 -0.566) 1.699 3.064 ( -0.264 -1.240 0.201) 1.284 3.070 ( -0.049 -1.709 -0.308) 1.737 3.145 ( 0.948 -0.428 1.079) 1.499 3.160 ( 0.556 -1.394 0.924) 1.762 3.179 ( -0.477 -0.646 -0.626) 1.018 3.198 ( -0.721 -1.905 -1.103) 2.316 3.335 ( -0.045 0.174 0.149) 0.233 3.341 ( -0.114 0.332 -0.306) 0.465 3.345 ( -0.836 -0.643 0.148) 1.065 3.351 ( 1.158 -0.501 -0.232) 1.283 3.444 ( -0.082 1.403 0.180) 1.417 3.454 ( 0.112 0.474 -0.627) 0.794 3.487 ( 0.155 0.241 0.530) 0.602 3.491 ( -0.349 -0.285 0.172) 0.482 3.904 ( -0.266 1.408 0.588) 1.549 3.920 ( 0.777 1.225 -0.754) 1.635 3.940 ( -0.590 -1.260 0.723) 1.568 3.957 ( 0.199 -1.418 -0.647) 1.571 4.092 ( -0.148 5.462 0.573) 5.494 4.107 ( 0.088 4.894 -0.676) 4.941 4.218 ( 0.308 -5.551 0.051) 5.559 4.219 ( -0.400 -4.847 -0.017) 4.863 4.369 ( -0.199 2.655 0.412) 2.695 4.380 ( 0.139 2.695 -0.444) 2.735 4.404 ( -0.259 -0.861 0.687) 1.132 4.420 ( 0.282 -1.478 -0.645) 1.637 4.632 ( 0.449 1.682 0.050) 1.742 4.641 ( -0.511 1.464 -0.748) 1.721 4.682 ( 0.824 -1.472 0.849) 1.889 4.692 ( -0.707 -1.753 -0.042) 1.891 5.388 ( -0.130 0.574 0.326) 0.673 5.395 ( -0.095 0.503 -0.292) 0.589 5.402 ( 0.195 -0.435 0.258) 0.542 5.408 ( 0.039 -0.384 -0.257) 0.464 5.653 ( 0.121 -0.437 0.271) 0.528 5.658 ( -0.062 -0.705 0.105) 0.715 5.663 ( 0.036 -0.601 0.086) 0.608 5.674 ( -0.119 -1.497 -0.589) 1.613 5.996 ( -0.141 1.867 0.274) 1.892 6.000 ( -0.109 1.572 0.076) 1.578 6.006 ( 0.072 1.742 -0.059) 1.745 6.009 ( 0.180 1.490 -0.203) 1.514 6.417 ( 0.051 1.166 -0.057) 1.168 6.419 ( 0.013 1.009 -0.202) 1.029 6.426 ( -0.036 0.953 0.182) 0.971 6.429 ( -0.072 0.724 -0.002) 0.727 6.733 ( 0.114 -0.754 0.010) 0.762 6.734 ( -0.069 -0.790 -0.056) 0.795 6.737 ( 0.048 -1.016 0.090) 1.022 6.739 ( -0.088 -1.103 -0.049) 1.107 7.175 ( 0.016 0.342 0.081) 0.352 7.176 ( -0.082 0.240 -0.029) 0.255 7.210 ( 0.029 0.440 -0.093) 0.451 7.211 ( 0.065 0.401 -0.124) 0.424 7.343 ( -0.077 -0.576 0.389) 0.699 7.350 ( -0.008 -0.883 -0.244) 0.916 7.357 ( 0.288 -1.207 0.209) 1.258 7.360 ( -0.164 -1.549 -0.003) 1.558 7.707 ( 0.063 1.945 0.335) 1.974 7.715 ( -0.075 2.129 -0.368) 2.162 7.721 ( 0.047 0.677 0.527) 0.859 7.734 ( -0.026 0.452 -0.550) 0.713 8.014 ( -0.179 0.370 0.153) 0.439 8.020 ( 0.060 -0.068 -0.336) 0.348 8.040 ( -0.470 -0.339 0.303) 0.654 8.046 ( 0.591 -0.747 -0.153) 0.965 8.347 ( 0.020 1.675 0.378) 1.717 8.355 ( 0.013 1.402 -0.255) 1.425 8.389 ( 0.185 -2.151 0.229) 2.171 8.394 ( -0.155 -2.139 -0.206) 2.154 8.568 ( 0.013 -0.440 0.550) 0.705 8.578 ( -0.067 -0.667 -0.263) 0.720 8.584 ( 0.390 -1.991 0.234) 2.042 8.594 ( -0.348 -2.214 -0.575) 2.314 12.276 ( 0.068 -0.052 0.036) 0.093 12.276 ( -0.055 -0.166 -0.034) 0.178 12.281 ( 0.068 -0.615 0.059) 0.622 12.283 ( -0.072 -0.690 -0.045) 0.695 12.455 ( -0.004 -0.432 0.027) 0.433 12.456 ( 0.026 -0.469 -0.050) 0.472 12.457 ( -0.036 -0.518 0.015) 0.519 12.458 ( 0.000 -0.585 -0.090) 0.592 15.461 ( 0.126 -1.042 -0.287) 1.089 15.462 ( -0.314 -1.084 -0.414) 1.202 15.491 ( -0.009 -1.206 0.464) 1.292 15.497 ( 0.247 -1.771 -0.093) 1.791 15.866 ( -0.612 1.415 -0.090) 1.545 15.871 ( -0.591 1.075 -0.399) 1.290 15.912 ( 0.342 1.585 0.152) 1.628 15.917 ( 1.236 1.195 -0.153) 1.726 16.088 ( -1.806 3.367 1.308) 4.039 16.114 ( 0.671 2.328 -0.363) 2.450 16.133 ( -0.621 1.588 0.943) 1.949 16.160 ( 1.381 0.428 -0.817) 1.661 16.284 ( 0.086 -2.889 0.311) 2.907 16.291 ( 0.071 -3.457 -0.247) 3.467 16.350 ( -0.416 -3.088 0.881) 3.238 16.372 ( 0.357 -4.647 -0.986) 4.764 16.607 ( -2.373 2.672 1.909) 4.052 16.627 ( -0.377 0.886 1.209) 1.546 16.669 ( 1.357 2.602 -0.798) 3.042 16.709 ( 1.751 -1.169 -3.047) 3.703 17.712 ( -2.105 -1.080 2.807) 3.671 17.739 ( -1.902 -3.576 1.836) 4.447 17.771 ( 1.563 -2.022 -2.088) 3.300 17.782 ( 1.983 -3.146 -1.736) 4.104 ======================= Grid point 50 (28/28) ======================= q-point: (-0.25 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( -1.300 3.226 -0.915) 3.596 0.776 ( 0.207 0.595 0.485) 0.795 0.841 ( -1.746 3.780 -1.349) 4.377 0.869 ( -0.257 -0.698 -0.793) 1.087 0.889 ( -0.039 1.543 -0.129) 1.549 0.893 ( 0.174 1.331 0.434) 1.410 0.904 ( -0.385 0.064 -0.099) 0.402 0.922 ( 0.295 0.064 0.267) 0.403 0.988 ( -1.257 3.119 0.855) 3.470 1.050 ( 0.479 1.630 0.537) 1.782 1.141 ( -2.368 3.763 1.551) 4.709 1.170 ( 3.546 6.033 0.405) 7.009 1.214 ( -2.167 2.314 1.133) 3.366 1.259 ( -0.645 0.716 -0.905) 1.322 1.284 ( -1.589 -4.208 2.001) 4.923 1.349 ( 2.519 -4.278 0.999) 5.064 1.380 ( 1.374 1.367 -0.494) 2.000 1.400 ( 0.293 -0.393 0.049) 0.493 1.462 ( 2.082 1.918 -0.924) 2.978 1.479 ( 2.461 0.870 -1.632) 3.079 1.492 ( -1.328 4.351 -1.069) 4.673 1.529 ( 0.025 2.224 1.440) 2.649 1.548 ( -0.578 -0.045 -1.015) 1.169 1.565 ( 0.494 1.125 0.341) 1.275 1.576 ( 1.235 2.916 -1.549) 3.526 1.597 ( 0.452 3.099 1.102) 3.320 1.638 ( -0.342 4.713 -1.012) 4.833 1.663 ( -1.286 3.117 -1.039) 3.528 1.687 ( -2.092 -2.322 -1.589) 3.506 1.724 ( -1.126 2.483 -0.653) 2.803 1.737 ( -0.383 1.605 0.988) 1.923 1.745 ( -0.889 2.241 2.250) 3.298 1.779 ( -1.988 1.841 -1.134) 2.937 1.816 ( 0.575 1.671 -0.315) 1.795 1.852 ( -0.743 1.437 1.936) 2.523 1.870 ( -0.220 -2.527 -0.034) 2.537 1.917 ( 1.756 0.706 0.149) 1.898 1.953 ( 0.446 0.245 -0.136) 0.527 2.024 ( -0.886 6.371 -0.173) 6.435 2.028 ( -0.764 4.128 1.193) 4.364 2.068 ( 1.439 0.525 -0.553) 1.628 2.112 ( 2.297 4.337 -0.765) 4.967 2.173 ( -2.029 -3.309 -0.035) 3.882 2.198 ( -1.149 -2.972 -0.454) 3.218 2.225 ( 0.222 1.334 0.189) 1.365 2.229 ( -0.741 1.099 0.954) 1.633 2.282 ( 2.200 2.672 -1.849) 3.924 2.310 ( 2.529 0.563 -0.936) 2.755 2.558 ( 0.041 2.578 2.294) 3.451 2.575 ( 1.340 2.700 -0.819) 3.124 2.612 ( -1.447 -1.883 1.020) 2.585 2.627 ( -0.499 -2.069 -0.624) 2.218 2.723 ( -0.356 3.127 0.147) 3.151 2.726 ( -0.285 2.746 1.081) 2.965 2.793 ( 0.267 2.254 -1.336) 2.633 2.814 ( 1.073 1.073 -0.000) 1.517 2.840 ( -0.692 3.253 -0.367) 3.346 2.874 ( 0.138 1.279 0.690) 1.460 2.891 ( -1.437 0.563 -0.608) 1.659 2.912 ( -0.160 0.331 -0.040) 0.370 3.028 ( -1.082 -0.580 0.047) 1.229 3.054 ( -0.906 -1.467 0.028) 1.724 3.060 ( -0.632 -2.724 -0.077) 2.797 3.071 ( -0.241 -2.096 0.364) 2.141 3.143 ( -0.123 -0.107 -0.761) 0.778 3.155 ( -0.949 -1.016 -0.860) 1.635 3.172 ( -0.608 -0.388 0.931) 1.177 3.191 ( -0.292 -2.123 0.632) 2.234 3.328 ( -0.646 0.492 0.141) 0.824 3.333 ( -0.264 0.188 0.293) 0.437 3.341 ( 0.052 -0.046 -0.002) 0.070 3.360 ( 0.372 -1.501 -0.462) 1.614 3.463 ( 1.283 0.959 0.293) 1.628 3.466 ( 1.749 0.638 -0.307) 1.887 3.493 ( 0.520 0.550 0.039) 0.758 3.501 ( 0.560 0.027 0.114) 0.572 3.910 ( 0.282 2.021 0.205) 2.051 3.924 ( 0.891 2.020 -0.622) 2.294 3.956 ( 0.872 -1.527 0.281) 1.781 3.964 ( 1.270 -1.085 0.059) 1.671 4.094 ( 0.037 5.518 0.172) 5.521 4.116 ( 1.075 4.357 -0.138) 4.490 4.215 ( -0.022 -5.230 0.115) 5.232 4.227 ( 0.568 -5.207 0.057) 5.238 4.362 ( -0.745 2.665 -0.018) 2.768 4.382 ( 0.664 1.797 0.185) 1.924 4.404 ( -0.949 -1.434 0.289) 1.743 4.408 ( -0.648 -0.778 -0.442) 1.105 4.630 ( 0.067 1.302 -0.045) 1.304 4.644 ( -0.175 0.355 0.217) 0.451 4.666 ( -0.674 0.799 -0.164) 1.058 4.697 ( -0.321 -1.591 -0.093) 1.626 5.393 ( 0.002 0.624 0.167) 0.646 5.394 ( 0.237 0.452 -0.344) 0.616 5.403 ( 0.119 -0.329 0.109) 0.366 5.408 ( 0.217 -0.515 0.055) 0.562 5.657 ( 0.312 -0.491 -0.199) 0.615 5.662 ( 0.369 -0.795 0.066) 0.879 5.665 ( 0.118 -0.849 -0.252) 0.893 5.672 ( 0.157 -1.267 0.453) 1.355 5.996 ( -0.196 1.934 0.180) 1.953 6.000 ( -0.204 1.523 0.204) 1.550 6.004 ( 0.107 1.817 -0.203) 1.832 6.009 ( 0.006 1.247 -0.215) 1.265 6.416 ( -0.058 1.058 -0.027) 1.060 6.417 ( -0.024 1.019 0.048) 1.021 6.426 ( -0.114 0.886 -0.034) 0.894 6.427 ( -0.174 0.843 0.100) 0.867 6.730 ( -0.241 -0.721 -0.041) 0.761 6.733 ( -0.086 -0.815 0.010) 0.820 6.735 ( -0.258 -1.054 -0.045) 1.086 6.737 ( -0.155 -1.121 0.069) 1.133 7.178 ( 0.321 0.464 0.026) 0.565 7.180 ( 0.369 0.228 0.087) 0.442 7.203 ( -0.643 0.548 -0.036) 0.845 7.206 ( -0.527 0.259 -0.062) 0.591 7.346 ( -0.043 -0.809 -0.033) 0.810 7.349 ( 0.116 -0.892 0.132) 0.910 7.354 ( -0.224 -0.995 -0.274) 1.056 7.362 ( 0.085 -1.432 -0.002) 1.435 7.710 ( 0.104 1.897 -0.243) 1.915 7.713 ( 0.053 1.893 0.265) 1.912 7.723 ( -0.270 0.752 -0.402) 0.895 7.726 ( -0.383 0.712 0.391) 0.899 8.025 ( 1.142 0.357 0.204) 1.214 8.032 ( 1.048 -0.176 0.240) 1.089 8.044 ( 0.688 0.191 -0.055) 0.716 8.058 ( 0.968 -0.875 -0.385) 1.361 8.342 ( -0.829 1.607 -0.034) 1.808 8.347 ( -0.504 1.324 -0.071) 1.419 8.382 ( -0.687 -2.089 -0.112) 2.202 8.390 ( -0.446 -2.455 0.070) 2.496 8.569 ( -0.291 -0.558 -0.078) 0.634 8.575 ( -0.162 -0.643 -0.254) 0.710 8.580 ( -0.202 -1.658 0.099) 1.673 8.595 ( 0.160 -2.363 0.282) 2.385 12.274 ( -0.125 -0.012 -0.037) 0.131 12.276 ( -0.038 -0.161 -0.011) 0.165 12.280 ( -0.105 -0.555 -0.009) 0.565 12.283 ( -0.008 -0.769 0.038) 0.770 12.456 ( 0.060 -0.440 -0.032) 0.445 12.457 ( 0.104 -0.525 0.014) 0.536 12.458 ( 0.053 -0.518 0.014) 0.521 12.458 ( 0.063 -0.549 0.056) 0.556 15.451 ( -0.391 -0.859 0.229) 0.971 15.459 ( -0.365 -1.628 0.339) 1.702 15.495 ( 0.325 -1.029 -0.209) 1.100 15.500 ( 0.199 -1.543 -0.344) 1.594 15.860 ( -0.576 1.349 0.721) 1.635 15.863 ( -0.599 1.105 0.833) 1.508 15.916 ( 0.716 2.348 -0.885) 2.610 15.933 ( 1.476 0.723 -1.192) 2.030 16.076 ( -1.757 3.332 1.575) 4.083 16.117 ( -1.111 0.255 1.212) 1.664 16.129 ( 0.514 3.121 -1.092) 3.347 16.166 ( 0.901 -0.094 -1.322) 1.602 16.277 ( -0.064 -1.830 -0.180) 1.840 16.300 ( 0.210 -3.629 0.249) 3.644 16.357 ( -0.177 -3.666 0.301) 3.682 16.362 ( 0.033 -4.267 -0.544) 4.302 16.595 ( -1.698 3.403 1.704) 4.168 16.632 ( -1.442 -0.216 1.510) 2.099 16.690 ( 2.708 1.485 -1.305) 3.353 16.704 ( 1.926 0.019 -2.261) 2.970 17.712 ( -2.665 -1.293 2.810) 4.083 17.733 ( -1.630 -3.185 1.749) 3.982 17.769 ( 1.795 -1.678 -2.308) 3.371 17.787 ( 1.480 -3.343 -1.762) 4.058 =================== 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 3/14112 10.0 2.519 2.284 1.126 0.000 -0.691 0.000 3/14112 20.0 0.681 1.150 0.332 0.000 -0.155 0.000 3/14112 30.0 0.389 0.810 0.204 0.000 -0.079 0.000 3/14112 40.0 0.276 0.623 0.150 0.000 -0.053 0.000 3/14112 50.0 0.216 0.508 0.119 0.000 -0.040 0.000 3/14112 60.0 0.178 0.430 0.100 0.000 -0.032 0.000 3/14112 70.0 0.152 0.375 0.086 0.000 -0.027 0.000 3/14112 80.0 0.133 0.333 0.075 0.000 -0.023 0.000 3/14112 90.0 0.119 0.301 0.067 0.000 -0.021 0.000 3/14112 100.0 0.107 0.276 0.061 0.000 -0.019 0.000 3/14112 110.0 0.098 0.256 0.056 0.000 -0.017 0.000 3/14112 120.0 0.091 0.240 0.052 0.000 -0.016 0.000 3/14112 130.0 0.085 0.226 0.049 0.000 -0.015 0.000 3/14112 140.0 0.080 0.215 0.046 0.000 -0.014 0.000 3/14112 150.0 0.076 0.206 0.044 0.000 -0.014 0.000 3/14112 160.0 0.072 0.197 0.042 0.000 -0.013 0.000 3/14112 170.0 0.069 0.190 0.041 0.000 -0.013 0.000 3/14112 180.0 0.066 0.184 0.039 0.000 -0.012 0.000 3/14112 190.0 0.064 0.178 0.038 0.000 -0.012 0.000 3/14112 200.0 0.061 0.173 0.037 0.000 -0.012 0.000 3/14112 210.0 0.059 0.169 0.036 0.000 -0.012 0.000 3/14112 220.0 0.058 0.164 0.035 0.000 -0.012 0.000 3/14112 230.0 0.056 0.160 0.034 0.000 -0.011 0.000 3/14112 240.0 0.054 0.156 0.033 0.000 -0.011 0.000 3/14112 250.0 0.053 0.153 0.032 0.000 -0.011 0.000 3/14112 260.0 0.051 0.149 0.032 0.000 -0.011 0.000 3/14112 270.0 0.050 0.146 0.031 0.000 -0.011 0.000 3/14112 280.0 0.049 0.143 0.030 0.000 -0.011 0.000 3/14112 290.0 0.048 0.140 0.030 0.000 -0.010 0.000 3/14112 300.0 0.047 0.137 0.029 0.000 -0.010 0.000 3/14112 310.0 0.046 0.134 0.029 0.000 -0.010 0.000 3/14112 320.0 0.045 0.132 0.028 0.000 -0.010 0.000 3/14112 330.0 0.044 0.129 0.027 0.000 -0.010 0.000 3/14112 340.0 0.043 0.127 0.027 0.000 -0.010 0.000 3/14112 350.0 0.042 0.124 0.026 0.000 -0.010 0.000 3/14112 360.0 0.041 0.122 0.026 0.000 -0.009 0.000 3/14112 370.0 0.040 0.120 0.025 0.000 -0.009 0.000 3/14112 380.0 0.039 0.118 0.025 0.000 -0.009 0.000 3/14112 390.0 0.039 0.115 0.025 0.000 -0.009 0.000 3/14112 400.0 0.038 0.113 0.024 0.000 -0.009 0.000 3/14112 410.0 0.037 0.111 0.024 0.000 -0.009 0.000 3/14112 420.0 0.036 0.110 0.023 0.000 -0.009 0.000 3/14112 430.0 0.036 0.108 0.023 0.000 -0.008 0.000 3/14112 440.0 0.035 0.106 0.022 0.000 -0.008 0.000 3/14112 450.0 0.035 0.104 0.022 0.000 -0.008 0.000 3/14112 460.0 0.034 0.102 0.022 0.000 -0.008 0.000 3/14112 470.0 0.033 0.101 0.021 0.000 -0.008 0.000 3/14112 480.0 0.033 0.099 0.021 0.000 -0.008 0.000 3/14112 490.0 0.032 0.098 0.021 0.000 -0.008 0.000 3/14112 500.0 0.032 0.096 0.020 0.000 -0.008 0.000 3/14112 510.0 0.031 0.095 0.020 0.000 -0.008 0.000 3/14112 520.0 0.031 0.093 0.020 0.000 -0.007 0.000 3/14112 530.0 0.030 0.092 0.019 0.000 -0.007 0.000 3/14112 540.0 0.030 0.091 0.019 0.000 -0.007 0.000 3/14112 550.0 0.029 0.089 0.019 0.000 -0.007 0.000 3/14112 560.0 0.029 0.088 0.019 0.000 -0.007 0.000 3/14112 570.0 0.028 0.087 0.018 0.000 -0.007 0.000 3/14112 580.0 0.028 0.085 0.018 0.000 -0.007 0.000 3/14112 590.0 0.028 0.084 0.018 0.000 -0.007 0.000 3/14112 600.0 0.027 0.083 0.018 0.000 -0.007 0.000 3/14112 610.0 0.027 0.082 0.017 0.000 -0.007 0.000 3/14112 620.0 0.026 0.081 0.017 0.000 -0.007 0.000 3/14112 630.0 0.026 0.080 0.017 0.000 -0.006 0.000 3/14112 640.0 0.026 0.079 0.017 0.000 -0.006 0.000 3/14112 650.0 0.025 0.078 0.016 0.000 -0.006 0.000 3/14112 660.0 0.025 0.077 0.016 0.000 -0.006 0.000 3/14112 670.0 0.025 0.076 0.016 0.000 -0.006 0.000 3/14112 680.0 0.024 0.075 0.016 0.000 -0.006 0.000 3/14112 690.0 0.024 0.074 0.016 0.000 -0.006 0.000 3/14112 700.0 0.024 0.073 0.015 0.000 -0.006 0.000 3/14112 710.0 0.023 0.072 0.015 0.000 -0.006 0.000 3/14112 720.0 0.023 0.071 0.015 0.000 -0.006 0.000 3/14112 730.0 0.023 0.070 0.015 0.000 -0.006 0.000 3/14112 740.0 0.023 0.070 0.015 0.000 -0.006 0.000 3/14112 750.0 0.022 0.069 0.015 0.000 -0.006 0.000 3/14112 760.0 0.022 0.068 0.014 0.000 -0.006 0.000 3/14112 770.0 0.022 0.067 0.014 0.000 -0.005 0.000 3/14112 780.0 0.022 0.067 0.014 0.000 -0.005 0.000 3/14112 790.0 0.021 0.066 0.014 0.000 -0.005 0.000 3/14112 800.0 0.021 0.065 0.014 0.000 -0.005 0.000 3/14112 810.0 0.021 0.064 0.014 0.000 -0.005 0.000 3/14112 820.0 0.021 0.064 0.013 0.000 -0.005 0.000 3/14112 830.0 0.020 0.063 0.013 0.000 -0.005 0.000 3/14112 840.0 0.020 0.062 0.013 0.000 -0.005 0.000 3/14112 850.0 0.020 0.062 0.013 0.000 -0.005 0.000 3/14112 860.0 0.020 0.061 0.013 0.000 -0.005 0.000 3/14112 870.0 0.020 0.060 0.013 0.000 -0.005 0.000 3/14112 880.0 0.019 0.060 0.013 0.000 -0.005 0.000 3/14112 890.0 0.019 0.059 0.012 0.000 -0.005 0.000 3/14112 900.0 0.019 0.059 0.012 0.000 -0.005 0.000 3/14112 910.0 0.019 0.058 0.012 0.000 -0.005 0.000 3/14112 920.0 0.019 0.057 0.012 0.000 -0.005 0.000 3/14112 930.0 0.018 0.057 0.012 0.000 -0.005 0.000 3/14112 940.0 0.018 0.056 0.012 0.000 -0.005 0.000 3/14112 950.0 0.018 0.056 0.012 0.000 -0.005 0.000 3/14112 960.0 0.018 0.055 0.012 0.000 -0.004 0.000 3/14112 970.0 0.018 0.055 0.012 0.000 -0.004 0.000 3/14112 980.0 0.017 0.054 0.011 0.000 -0.004 0.000 3/14112 990.0 0.017 0.054 0.011 0.000 -0.004 0.000 3/14112 1000.0 0.017 0.053 0.011 0.000 -0.004 0.000 3/14112 Thermal conductivity related properties were written into "kappa-m473.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 19:48:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|