----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 10:54:49]------------------------- 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 (4) Number of symmetry operations in supercell: 4 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.473005300018530 0.000000000000000 0.000000000000000 b 0.000000000000000 4.684387079999999 0.000000000000000 c -0.885282344330490 0.000000000000000 13.966476064039641 Atomic positions (fractional): *1 Ba 0.85593992885453 0.70522584695867 0.03048957604755 137.327 *2 Ba 0.41796992278093 0.73855054642844 0.39000086017737 137.327 *3 Ba 0.41682300980854 0.69228334010681 0.88951146762348 137.327 4 Ba 0.58203007721907 0.23855054642844 0.60999913982263 137.327 *5 Ba 0.85678826437775 0.69298820221076 0.53259567593445 137.327 6 Ba 0.58317699019146 0.19228334010681 0.11048853237652 137.327 7 Ba 0.14406007114547 0.20522584695867 0.96951042395245 137.327 8 Ba 0.14321173562226 0.19298820221076 0.46740432406555 137.327 *9 Si 0.35098935290464 0.76072964102391 0.11122908272968 28.085 *10 Si 0.72322161167400 0.76787857651929 0.77541458565940 28.085 11 Si 0.27677838832600 0.26787857651929 0.22458541434060 28.085 *12 Si 0.72286679119182 0.66920459614944 0.27481856105601 28.085 *13 Si 0.97506421243724 0.76492321652738 0.81293156825588 28.085 14 Si 0.64901064709536 0.26072964102391 0.88877091727032 28.085 *15 Si 0.97148398591808 0.76351139113386 0.31262813054836 28.085 *16 Si 0.64996812371675 0.16785047438430 0.38861485402512 28.085 17 Si 0.02851601408192 0.26351139113386 0.68737186945164 28.085 18 Si 0.02493578756276 0.26492321652738 0.18706843174412 28.085 19 Si 0.35003187628325 0.66785047438430 0.61138514597488 28.085 20 Si 0.27713320880818 0.16920459614944 0.72518143894399 28.085 *21 O 0.52789617559119 0.19110030205638 0.91598086362603 15.999 *22 O 0.28704548022086 0.18709371947901 0.33519242816557 15.999 *23 O 0.64513592248445 0.59787907791128 0.84800058312793 15.999 *24 O 0.84227383563966 0.72850974982888 0.32839525402257 15.999 *25 O 0.31079351273848 0.83368520742166 0.70899063013711 15.999 *26 O 0.96431563096682 0.18437826259872 0.08720646736296 15.999 *27 O 0.73561968236202 0.19169741582698 0.47937469919000 15.999 *28 O 0.26488099002106 0.71906251095388 0.02162046194894 15.999 *29 O 0.36091762946065 0.33678480916345 0.65714169194608 15.999 *30 O 0.52960569499520 0.24711275663307 0.41575008584372 15.999 *31 O 0.99696533781667 0.09941539512759 0.28641738999434 15.999 32 O 0.15772616436034 0.22850974982888 0.67160474597743 15.999 *33 O 0.96524946994059 0.18148517559787 0.58868586204122 15.999 *34 O 0.00224241613420 0.10008146289133 0.78737091848086 15.999 35 O 0.73511900997894 0.21906251095388 0.97837953805106 15.999 36 O 0.68920648726152 0.33368520742166 0.29100936986289 15.999 37 O 0.26438031763798 0.69169741582698 0.52062530081000 15.999 38 O 0.47210382440881 0.69110030205638 0.08401913637397 15.999 *39 O 0.31693980794805 0.59978614723249 0.21146273362504 15.999 *40 O 0.84524184701018 0.73606044959744 0.82652450628269 15.999 41 O 0.03475053005941 0.68148517559787 0.41131413795878 15.999 42 O 0.99775758386580 0.60008146289133 0.21262908151914 15.999 43 O 0.15475815298982 0.23606044959744 0.17347549371731 15.999 44 O 0.35486407751555 0.09787907791128 0.15199941687207 15.999 *45 O 0.71330469877686 0.73682175623706 0.16320178169326 15.999 46 O 0.00303466218333 0.59941539512759 0.71358261000566 15.999 47 O 0.03568436903318 0.68437826259872 0.91279353263704 15.999 48 O 0.47039430500480 0.74711275663307 0.58424991415628 15.999 49 O 0.71295451977914 0.68709371947901 0.66480757183443 15.999 50 O 0.63908237053935 0.83678480916345 0.34285830805391 15.999 51 O 0.68306019205195 0.09978614723249 0.78853726637496 15.999 52 O 0.28669530122314 0.23682175623706 0.83679821830674 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.473005300018530 0.000000000000000 0.000000000000000 b 0.000000000000000 4.684387079999999 0.000000000000000 c -0.885282344330490 0.000000000000000 13.966476064039641 Atomic positions (fractional): *1 Ba 0.85593992885453 0.70522584695867 0.03048957604755 137.327 > 1 *2 Ba 0.41796992278093 0.73855054642844 0.39000086017737 137.327 > 2 *3 Ba 0.41682300980854 0.69228334010681 0.88951146762348 137.327 > 3 4 Ba 0.58203007721907 0.23855054642844 0.60999913982263 137.327 > 4 *5 Ba 0.85678826437775 0.69298820221076 0.53259567593445 137.327 > 5 6 Ba 0.58317699019146 0.19228334010681 0.11048853237652 137.327 > 6 7 Ba 0.14406007114547 0.20522584695867 0.96951042395245 137.327 > 7 8 Ba 0.14321173562226 0.19298820221076 0.46740432406555 137.327 > 8 *9 Si 0.35098935290464 0.76072964102391 0.11122908272968 28.085 > 9 *10 Si 0.72322161167400 0.76787857651929 0.77541458565940 28.085 > 10 11 Si 0.27677838832600 0.26787857651929 0.22458541434060 28.085 > 11 *12 Si 0.72286679119182 0.66920459614944 0.27481856105601 28.085 > 12 *13 Si 0.97506421243724 0.76492321652738 0.81293156825588 28.085 > 13 14 Si 0.64901064709536 0.26072964102391 0.88877091727032 28.085 > 14 *15 Si 0.97148398591808 0.76351139113386 0.31262813054836 28.085 > 15 *16 Si 0.64996812371675 0.16785047438430 0.38861485402512 28.085 > 16 17 Si 0.02851601408192 0.26351139113386 0.68737186945164 28.085 > 17 18 Si 0.02493578756276 0.26492321652738 0.18706843174412 28.085 > 18 19 Si 0.35003187628325 0.66785047438430 0.61138514597488 28.085 > 19 20 Si 0.27713320880818 0.16920459614944 0.72518143894399 28.085 > 20 *21 O 0.52789617559119 0.19110030205638 0.91598086362603 15.999 > 21 *22 O 0.28704548022086 0.18709371947901 0.33519242816557 15.999 > 22 *23 O 0.64513592248445 0.59787907791128 0.84800058312793 15.999 > 23 *24 O 0.84227383563966 0.72850974982888 0.32839525402257 15.999 > 24 *25 O 0.31079351273848 0.83368520742166 0.70899063013711 15.999 > 25 *26 O 0.96431563096682 0.18437826259872 0.08720646736296 15.999 > 26 *27 O 0.73561968236202 0.19169741582698 0.47937469919000 15.999 > 27 *28 O 0.26488099002106 0.71906251095388 0.02162046194894 15.999 > 28 *29 O 0.36091762946065 0.33678480916345 0.65714169194608 15.999 > 29 *30 O 0.52960569499520 0.24711275663307 0.41575008584372 15.999 > 30 *31 O 0.99696533781667 0.09941539512759 0.28641738999434 15.999 > 31 32 O 0.15772616436034 0.22850974982888 0.67160474597743 15.999 > 32 *33 O 0.96524946994059 0.18148517559787 0.58868586204122 15.999 > 33 *34 O 0.00224241613420 0.10008146289133 0.78737091848086 15.999 > 34 35 O 0.73511900997894 0.21906251095388 0.97837953805106 15.999 > 35 36 O 0.68920648726152 0.33368520742166 0.29100936986289 15.999 > 36 37 O 0.26438031763798 0.69169741582698 0.52062530081000 15.999 > 37 38 O 0.47210382440881 0.69110030205638 0.08401913637397 15.999 > 38 *39 O 0.31693980794805 0.59978614723249 0.21146273362504 15.999 > 39 *40 O 0.84524184701018 0.73606044959744 0.82652450628269 15.999 > 40 41 O 0.03475053005941 0.68148517559787 0.41131413795878 15.999 > 41 42 O 0.99775758386580 0.60008146289133 0.21262908151914 15.999 > 42 43 O 0.15475815298982 0.23606044959744 0.17347549371731 15.999 > 43 44 O 0.35486407751555 0.09787907791128 0.15199941687207 15.999 > 44 *45 O 0.71330469877686 0.73682175623706 0.16320178169326 15.999 > 45 46 O 0.00303466218333 0.59941539512759 0.71358261000566 15.999 > 46 47 O 0.03568436903318 0.68437826259872 0.91279353263704 15.999 > 47 48 O 0.47039430500480 0.74711275663307 0.58424991415628 15.999 > 48 49 O 0.71295451977914 0.68709371947901 0.66480757183443 15.999 > 49 50 O 0.63908237053935 0.83678480916345 0.34285830805391 15.999 > 50 51 O 0.68306019205195 0.09978614723249 0.78853726637496 15.999 > 51 52 O 0.28669530122314 0.23682175623706 0.83679821830674 15.999 > 52 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.473005300018530 0.000000000000000 0.000000000000000 b 0.000000000000000 9.368774159999997 0.000000000000000 c -0.885282344330490 0.000000000000000 13.966476064039641 Atomic positions (fractional): *1 Ba 0.85593992885453 0.35261292347934 0.03048957604755 137.327 > 1 2 Ba 0.85593992885453 0.85261292347934 0.03048957604755 137.327 > 1 *3 Ba 0.41796992278093 0.36927527321422 0.39000086017737 137.327 > 2 4 Ba 0.41796992278093 0.86927527321422 0.39000086017737 137.327 > 2 *5 Ba 0.41682300980854 0.34614167005340 0.88951146762348 137.327 > 3 6 Ba 0.41682300980854 0.84614167005340 0.88951146762348 137.327 > 3 7 Ba 0.58203007721907 0.11927527321422 0.60999913982263 137.327 > 4 8 Ba 0.58203007721907 0.61927527321422 0.60999913982263 137.327 > 4 *9 Ba 0.85678826437775 0.34649410110538 0.53259567593445 137.327 > 5 10 Ba 0.85678826437775 0.84649410110538 0.53259567593445 137.327 > 5 11 Ba 0.58317699019146 0.09614167005340 0.11048853237652 137.327 > 6 12 Ba 0.58317699019146 0.59614167005340 0.11048853237652 137.327 > 6 13 Ba 0.14406007114547 0.10261292347934 0.96951042395245 137.327 > 7 14 Ba 0.14406007114547 0.60261292347934 0.96951042395245 137.327 > 7 15 Ba 0.14321173562226 0.09649410110538 0.46740432406555 137.327 > 8 16 Ba 0.14321173562226 0.59649410110538 0.46740432406555 137.327 > 8 *17 Si 0.35098935290464 0.38036482051195 0.11122908272968 28.085 > 9 18 Si 0.35098935290464 0.88036482051195 0.11122908272968 28.085 > 9 *19 Si 0.72322161167400 0.38393928825965 0.77541458565940 28.085 > 10 20 Si 0.72322161167400 0.88393928825965 0.77541458565940 28.085 > 10 21 Si 0.27677838832600 0.13393928825965 0.22458541434060 28.085 > 11 22 Si 0.27677838832600 0.63393928825965 0.22458541434060 28.085 > 11 *23 Si 0.72286679119182 0.33460229807472 0.27481856105601 28.085 > 12 24 Si 0.72286679119182 0.83460229807472 0.27481856105601 28.085 > 12 *25 Si 0.97506421243724 0.38246160826369 0.81293156825588 28.085 > 13 26 Si 0.97506421243724 0.88246160826369 0.81293156825588 28.085 > 13 27 Si 0.64901064709536 0.13036482051195 0.88877091727032 28.085 > 14 28 Si 0.64901064709536 0.63036482051195 0.88877091727032 28.085 > 14 *29 Si 0.97148398591808 0.38175569556693 0.31262813054836 28.085 > 15 30 Si 0.97148398591808 0.88175569556693 0.31262813054836 28.085 > 15 *31 Si 0.64996812371675 0.08392523719215 0.38861485402512 28.085 > 16 32 Si 0.64996812371675 0.58392523719215 0.38861485402512 28.085 > 16 33 Si 0.02851601408192 0.13175569556693 0.68737186945164 28.085 > 17 34 Si 0.02851601408192 0.63175569556693 0.68737186945164 28.085 > 17 35 Si 0.02493578756276 0.13246160826369 0.18706843174412 28.085 > 18 36 Si 0.02493578756276 0.63246160826369 0.18706843174412 28.085 > 18 37 Si 0.35003187628325 0.33392523719215 0.61138514597488 28.085 > 19 38 Si 0.35003187628325 0.83392523719215 0.61138514597488 28.085 > 19 39 Si 0.27713320880818 0.08460229807472 0.72518143894399 28.085 > 20 40 Si 0.27713320880818 0.58460229807472 0.72518143894399 28.085 > 20 *41 O 0.52789617559119 0.09555015102819 0.91598086362603 15.999 > 21 42 O 0.52789617559119 0.59555015102819 0.91598086362603 15.999 > 21 *43 O 0.28704548022086 0.09354685973950 0.33519242816557 15.999 > 22 44 O 0.28704548022086 0.59354685973951 0.33519242816557 15.999 > 22 *45 O 0.64513592248445 0.29893953895564 0.84800058312793 15.999 > 23 46 O 0.64513592248445 0.79893953895564 0.84800058312793 15.999 > 23 *47 O 0.84227383563966 0.36425487491444 0.32839525402257 15.999 > 24 48 O 0.84227383563966 0.86425487491444 0.32839525402257 15.999 > 24 *49 O 0.31079351273848 0.41684260371083 0.70899063013711 15.999 > 25 50 O 0.31079351273848 0.91684260371083 0.70899063013711 15.999 > 25 *51 O 0.96431563096682 0.09218913129936 0.08720646736296 15.999 > 26 52 O 0.96431563096682 0.59218913129936 0.08720646736296 15.999 > 26 *53 O 0.73561968236202 0.09584870791349 0.47937469919000 15.999 > 27 54 O 0.73561968236202 0.59584870791349 0.47937469919000 15.999 > 27 *55 O 0.26488099002106 0.35953125547694 0.02162046194894 15.999 > 28 56 O 0.26488099002106 0.85953125547694 0.02162046194894 15.999 > 28 *57 O 0.36091762946065 0.16839240458172 0.65714169194608 15.999 > 29 58 O 0.36091762946065 0.66839240458172 0.65714169194608 15.999 > 29 *59 O 0.52960569499520 0.12355637831654 0.41575008584372 15.999 > 30 60 O 0.52960569499520 0.62355637831654 0.41575008584372 15.999 > 30 *61 O 0.99696533781667 0.04970769756380 0.28641738999434 15.999 > 31 62 O 0.99696533781667 0.54970769756380 0.28641738999434 15.999 > 31 63 O 0.15772616436034 0.11425487491444 0.67160474597743 15.999 > 32 64 O 0.15772616436034 0.61425487491444 0.67160474597743 15.999 > 32 *65 O 0.96524946994059 0.09074258779894 0.58868586204122 15.999 > 33 66 O 0.96524946994059 0.59074258779894 0.58868586204122 15.999 > 33 *67 O 0.00224241613420 0.05004073144566 0.78737091848086 15.999 > 34 68 O 0.00224241613420 0.55004073144566 0.78737091848086 15.999 > 34 69 O 0.73511900997894 0.10953125547694 0.97837953805106 15.999 > 35 70 O 0.73511900997894 0.60953125547694 0.97837953805106 15.999 > 35 71 O 0.68920648726152 0.16684260371083 0.29100936986289 15.999 > 36 72 O 0.68920648726152 0.66684260371083 0.29100936986289 15.999 > 36 73 O 0.26438031763798 0.34584870791349 0.52062530081000 15.999 > 37 74 O 0.26438031763798 0.84584870791349 0.52062530081000 15.999 > 37 75 O 0.47210382440881 0.34555015102819 0.08401913637397 15.999 > 38 76 O 0.47210382440881 0.84555015102819 0.08401913637397 15.999 > 38 *77 O 0.31693980794805 0.29989307361624 0.21146273362504 15.999 > 39 78 O 0.31693980794805 0.79989307361624 0.21146273362504 15.999 > 39 *79 O 0.84524184701018 0.36803022479872 0.82652450628269 15.999 > 40 80 O 0.84524184701018 0.86803022479872 0.82652450628269 15.999 > 40 81 O 0.03475053005941 0.34074258779894 0.41131413795878 15.999 > 41 82 O 0.03475053005941 0.84074258779894 0.41131413795878 15.999 > 41 83 O 0.99775758386580 0.30004073144566 0.21262908151914 15.999 > 42 84 O 0.99775758386580 0.80004073144566 0.21262908151914 15.999 > 42 85 O 0.15475815298982 0.11803022479872 0.17347549371731 15.999 > 43 86 O 0.15475815298982 0.61803022479872 0.17347549371731 15.999 > 43 87 O 0.35486407751555 0.04893953895564 0.15199941687207 15.999 > 44 88 O 0.35486407751555 0.54893953895564 0.15199941687207 15.999 > 44 *89 O 0.71330469877686 0.36841087811853 0.16320178169326 15.999 > 45 90 O 0.71330469877686 0.86841087811853 0.16320178169326 15.999 > 45 91 O 0.00303466218333 0.29970769756380 0.71358261000566 15.999 > 46 92 O 0.00303466218333 0.79970769756380 0.71358261000566 15.999 > 46 93 O 0.03568436903318 0.34218913129936 0.91279353263704 15.999 > 47 94 O 0.03568436903318 0.84218913129936 0.91279353263704 15.999 > 47 95 O 0.47039430500480 0.37355637831654 0.58424991415628 15.999 > 48 96 O 0.47039430500480 0.87355637831654 0.58424991415628 15.999 > 48 97 O 0.71295451977914 0.34354685973950 0.66480757183443 15.999 > 49 98 O 0.71295451977914 0.84354685973951 0.66480757183443 15.999 > 49 99 O 0.63908237053935 0.41839240458172 0.34285830805391 15.999 > 50 100 O 0.63908237053935 0.91839240458172 0.34285830805391 15.999 > 50 101 O 0.68306019205195 0.04989307361624 0.78853726637496 15.999 > 51 102 O 0.68306019205195 0.54989307361624 0.78853726637496 15.999 > 51 103 O 0.28669530122314 0.11841087811853 0.83679821830674 15.999 > 52 104 O 0.28669530122314 0.61841087811853 0.83679821830674 15.999 > 52 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8160303 0.0000000 -0.0118462 0.0000000 2.8437938 0.0000000 -0.0118471 0.0000000 2.9188188 -------------------------- Born effective charges -------------------------- 1 Ba 2.6240023 0.0660770 -0.0554458 0.0518110 2.6909635 0.0337719 -0.0962311 0.0580415 2.6731746 2 Ba 2.5281839 -0.0552453 0.0788966 -0.0287889 2.6696325 -0.0277834 0.1213703 -0.0536717 2.5825522 3 Ba 2.5086989 0.0360696 0.0842623 0.0136108 2.6937542 0.0311736 0.1252639 0.0444769 2.5650904 4 Ba 2.5281839 0.0552453 0.0788966 0.0287889 2.6696325 0.0277834 0.1213703 0.0536717 2.5825522 5 Ba 2.6137596 0.0141895 -0.0604755 -0.0050502 2.6936509 -0.0447577 -0.1002116 -0.0168113 2.6745314 6 Ba 2.5086989 -0.0360696 0.0842623 -0.0136108 2.6937542 -0.0311736 0.1252639 -0.0444769 2.5650904 7 Ba 2.6240023 -0.0660770 -0.0554458 -0.0518110 2.6909635 -0.0337719 -0.0962311 -0.0580415 2.6731746 8 Ba 2.6137596 -0.0141895 -0.0604755 0.0050502 2.6936509 0.0447577 -0.1002116 0.0168113 2.6745314 9 Si 2.7208924 -0.1552762 -0.2372982 0.0874282 2.8328083 -0.0605908 -0.1145193 0.2140912 3.0643133 10 Si 3.0643913 -0.2080301 0.1117513 0.0384842 3.0676489 -0.0595558 -0.0898533 0.1759402 3.2622520 11 Si 3.0643913 0.2080301 0.1117513 -0.0384842 3.0676489 0.0595558 -0.0898533 -0.1759402 3.2622520 12 Si 3.0388913 0.2709615 0.1227216 -0.0376034 3.0962341 0.1157554 -0.0933491 -0.1267910 3.2479085 13 Si 3.1966383 0.2627315 -0.1269129 0.0417384 3.0252645 0.1646886 -0.0535540 -0.2155629 3.1863339 14 Si 2.7208924 0.1552762 -0.2372982 -0.0874282 2.8328083 0.0605908 -0.1145193 -0.2140912 3.0643133 15 Si 3.1883291 0.2943068 -0.1206917 0.1068006 3.0388385 0.1444048 -0.0232424 -0.2281640 3.1849963 16 Si 2.7362929 -0.1659108 -0.2356520 0.1055886 2.7969618 -0.0284508 -0.1208836 0.2042959 3.0807705 17 Si 3.1883291 -0.2943068 -0.1206917 -0.1068006 3.0388385 -0.1444048 -0.0232424 0.2281640 3.1849963 18 Si 3.1966383 -0.2627315 -0.1269129 -0.0417384 3.0252645 -0.1646886 -0.0535540 0.2155629 3.1863339 19 Si 2.7362929 0.1659108 -0.2356520 -0.1055886 2.7969618 0.0284508 -0.1208836 -0.2042959 3.0807705 20 Si 3.0388913 -0.2709615 0.1227216 0.0376034 3.0962341 -0.1157554 -0.0933491 0.1267910 3.2479085 21 O -2.0673898 -0.1451128 0.0182243 -0.1107325 -1.7637323 0.0144374 0.0620200 0.0636633 -1.5982051 22 O -1.6030899 0.0929751 0.0884352 0.1138646 -1.5639182 0.1562070 0.1518777 0.2406994 -2.2314433 23 O -1.5604931 -0.3116134 0.3968299 -0.3340440 -2.2663714 0.6620812 0.3838861 0.5605795 -1.6175881 24 O -2.9343657 -0.2244915 -0.3292193 -0.1492247 -0.9928883 -0.0723857 -0.1904311 -0.0019768 -1.5687201 25 O -1.1740451 0.4415523 0.2376571 0.4632934 -2.2179489 -0.5780762 0.2018824 -0.4623268 -2.0254654 26 O -1.6975708 -0.1079756 -0.2219277 -0.1058390 -1.7224286 -0.1101700 -0.1689835 -0.1847349 -1.9060438 27 O -1.8258086 0.0468627 -0.1697944 0.0066708 -1.5896840 -0.0504265 -0.3045432 -0.0697384 -1.9066581 28 O -1.8246010 0.0409391 -0.1634786 0.0075209 -1.5991000 -0.0411316 -0.2995602 -0.0629199 -1.8992077 29 O -1.6154073 -0.2732424 0.4040399 -0.3071737 -2.2205049 0.6651576 0.3843291 0.5572042 -1.6073149 30 O -2.0587431 0.1959652 0.0241309 0.1534445 -1.7664341 -0.0078136 0.0673636 -0.0564953 -1.6132109 31 O -1.1848015 -0.4061565 0.2019745 -0.3274104 -2.2381074 0.6988282 0.1085113 0.5735624 -1.8907549 32 O -2.9343657 0.2244915 -0.3292193 0.1492247 -0.9928883 0.0723857 -0.1904311 0.0019768 -1.5687201 33 O -1.7044275 -0.0690312 -0.2340371 -0.0786777 -1.7301396 -0.0902078 -0.1878756 -0.1657250 -1.9037315 34 O -1.2083584 -0.4171957 0.2074212 -0.3279364 -2.2160047 0.6853773 0.1104106 0.5633589 -1.8935359 35 O -1.8246010 -0.0409391 -0.1634786 -0.0075209 -1.5991000 0.0411316 -0.2995602 0.0629199 -1.8992077 36 O -1.1740451 -0.4415523 0.2376571 -0.4632934 -2.2179489 0.5780762 0.2018824 0.4623268 -2.0254654 37 O -1.8258086 -0.0468627 -0.1697944 -0.0066708 -1.5896840 0.0504265 -0.3045432 0.0697384 -1.9066581 38 O -2.0673898 0.1451128 0.0182243 0.1107325 -1.7637323 -0.0144374 0.0620200 -0.0636633 -1.5982051 39 O -1.1883916 -0.4617443 0.2161540 -0.4642353 -2.1767046 0.5669238 0.1641429 0.4237087 -2.0679388 40 O -2.9765027 -0.0138212 -0.3304640 0.0006224 -0.9717822 0.0250711 -0.1916089 0.0488813 -1.5555199 41 O -1.7044275 0.0690312 -0.2340371 0.0786777 -1.7301396 0.0902078 -0.1878756 0.1657250 -1.9037315 42 O -1.2083584 0.4171957 0.2074212 0.3279364 -2.2160047 -0.6853773 0.1104106 -0.5633589 -1.8935359 43 O -2.9765027 0.0138212 -0.3304640 -0.0006224 -0.9717822 -0.0250711 -0.1916089 -0.0488813 -1.5555199 44 O -1.5604931 0.3116134 0.3968299 0.3340440 -2.2663714 -0.6620812 0.3838861 -0.5605795 -1.6175881 45 O -1.5960841 0.0867744 0.0928985 0.1288731 -1.5700079 0.1138979 0.1537892 0.1734732 -2.2365848 46 O -1.1848015 0.4061565 0.2019745 0.3274104 -2.2381074 -0.6988282 0.1085113 -0.5735624 -1.8907549 47 O -1.6975708 0.1079756 -0.2219277 0.1058390 -1.7224286 0.1101700 -0.1689835 0.1847349 -1.9060438 48 O -2.0587431 -0.1959652 0.0241309 -0.1534445 -1.7664341 0.0078136 0.0673636 0.0564953 -1.6132109 49 O -1.6030899 -0.0929751 0.0884352 -0.1138646 -1.5639182 -0.1562070 0.1518777 -0.2406994 -2.2314433 50 O -1.6154073 0.2732424 0.4040399 0.3071737 -2.2205049 -0.6651576 0.3843291 -0.5572042 -1.6073149 51 O -1.1883916 0.4617443 0.2161540 0.4642353 -2.1767046 -0.5669238 0.1641429 -0.4237087 -2.0679388 52 O -1.5960841 -0.0867744 0.0928985 -0.1288731 -1.5700079 -0.1138979 0.1537892 -0.1734732 -2.2365848 ---------------------------------------------------------------------------- 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: 312/312 Permutation basis: 24492/24492 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 12246 Number of blocks in projector: 12246 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: 2704 Use submatrix version of eigh solver. (1) Block: 500 / 2704 (2) Block: 250 / 500 (2) 198 eigenvectors found. (2) Block: 500 / 500 (2) 200 eigenvectors found. (2) Complementary block size: 102 (2) Compute compressed projector. (2) Use standard solver. (2) 50 eigenvectors found. (1) 448 eigenvectors found. (1) Block: 1000 / 2704 (2) Block: 250 / 500 (2) 202 eigenvectors found. (2) Block: 500 / 500 (2) 204 eigenvectors found. (2) Complementary block size: 94 (2) Compute compressed projector. (2) Use standard solver. (2) 46 eigenvectors found. (1) 452 eigenvectors found. (1) Block: 1500 / 2704 (2) Block: 250 / 500 (2) 208 eigenvectors found. (2) Block: 500 / 500 (2) 210 eigenvectors found. (2) Complementary block size: 82 (2) Compute compressed projector. (2) Use standard solver. (2) 40 eigenvectors found. (1) 458 eigenvectors found. (1) Block: 2000 / 2704 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 2500 / 2704 (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: 2704 / 2704 (1) 188 eigenvectors found. (1) Complementary block size: 222 (1) Compute compressed projector. (1) Use standard solver. (1) 170 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2704 Use submatrix version of eigh solver. (1) Block: 500 / 2704 (2) Block: 250 / 500 (2) 198 eigenvectors found. (2) Block: 500 / 500 (2) 200 eigenvectors found. (2) Complementary block size: 102 (2) Compute compressed projector. (2) Use standard solver. (2) 50 eigenvectors found. (1) 448 eigenvectors found. (1) Block: 1000 / 2704 (2) Block: 250 / 500 (2) 202 eigenvectors found. (2) Block: 500 / 500 (2) 204 eigenvectors found. (2) Complementary block size: 94 (2) Compute compressed projector. (2) Use standard solver. (2) 46 eigenvectors found. (1) 452 eigenvectors found. (1) Block: 1500 / 2704 (2) Block: 250 / 500 (2) 208 eigenvectors found. (2) Block: 500 / 500 (2) 210 eigenvectors found. (2) Complementary block size: 82 (2) Compute compressed projector. (2) Use standard solver. (2) 40 eigenvectors found. (1) 458 eigenvectors found. (1) Block: 2000 / 2704 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 2500 / 2704 (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: 2704 / 2704 (1) 188 eigenvectors found. (1) Complementary block size: 222 (1) Compute compressed projector. (1) Use standard solver. (1) 170 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2704 Use submatrix version of eigh solver. (1) Block: 500 / 2704 (2) Block: 250 / 500 (2) 199 eigenvectors found. (2) Block: 500 / 500 (2) 201 eigenvectors found. (2) Complementary block size: 100 (2) Compute compressed projector. (2) Use standard solver. (2) 49 eigenvectors found. (1) 449 eigenvectors found. (1) Block: 1000 / 2704 (2) Block: 250 / 500 (2) 203 eigenvectors found. (2) Block: 500 / 500 (2) 205 eigenvectors found. (2) Complementary block size: 92 (2) Compute compressed projector. (2) Use standard solver. (2) 45 eigenvectors found. (1) 453 eigenvectors found. (1) Block: 1500 / 2704 (2) Block: 250 / 500 (2) 209 eigenvectors found. (2) Block: 500 / 500 (2) 211 eigenvectors found. (2) Complementary block size: 80 (2) Compute compressed projector. (2) Use standard solver. (2) 39 eigenvectors found. (1) 459 eigenvectors found. (1) Block: 2000 / 2704 (2) Block: 250 / 500 (2) 215 eigenvectors found. (2) Block: 500 / 500 (2) 219 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 465 eigenvectors found. (1) Block: 2500 / 2704 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 2704 / 2704 (1) 189 eigenvectors found. (1) Complementary block size: 216 (1) Compute compressed projector. (1) Use standard solver. (1) 165 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1378 Use submatrix version of eigh solver. (1) Block: 500 / 1378 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1378 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1378 / 1378 (1) 364 eigenvectors found. (1) Complementary block size: 62 (1) Compute compressed projector. (1) Use standard solver. (1) 36 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1378 Use submatrix version of eigh solver. (1) Block: 500 / 1378 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1378 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1378 / 1378 (1) 364 eigenvectors found. (1) Complementary block size: 62 (1) Compute compressed projector. (1) Use standard solver. (1) 36 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1378 Use submatrix version of eigh solver. (1) Block: 500 / 1378 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1378 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1378 / 1378 (1) 364 eigenvectors found. (1) Complementary block size: 62 (1) Compute compressed projector. (1) Use standard solver. (1) 36 eigenvectors found. Tree of FC basis block matrices: - (12246, 12013), data: False |-- (1378, 1352), data: False |-- (1378, 36), data: (1378, 62) @ (62, 36) |-- (378, 364), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (1378, 1352), data: False |-- (1378, 36), data: (1378, 62) @ (62, 36) |-- (378, 364), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (1378, 1352), data: False |-- (1378, 36), data: (1378, 62) @ (62, 36) |-- (378, 364), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (2704, 2653), data: False |-- (2704, 165), data: (2704, 216) @ (216, 165) |-- (204, 189), data: True |-- (500, 473), data: False |-- (500, 21), data: (500, 48) @ (48, 21) |-- (250, 229), data: True |-- (250, 223), data: True |-- (500, 465), data: False |-- (500, 31), data: (500, 66) @ (66, 31) |-- (250, 219), data: True |-- (250, 215), data: True |-- (500, 459), data: False |-- (500, 39), data: (500, 80) @ (80, 39) |-- (250, 211), data: True |-- (250, 209), data: True |-- (500, 453), data: False |-- (500, 45), data: (500, 92) @ (92, 45) |-- (250, 205), data: True |-- (250, 203), data: True |-- (500, 449), data: False |-- (500, 49), data: (500, 100) @ (100, 49) |-- (250, 201), data: True |-- (250, 199), data: True |-- (2704, 2652), data: False |-- (2704, 170), data: (2704, 222) @ (222, 170) |-- (204, 188), data: True |-- (500, 472), data: False |-- (500, 22), data: (500, 50) @ (50, 22) |-- (250, 228), data: True |-- (250, 222), data: True |-- (500, 464), data: False |-- (500, 32), data: (500, 68) @ (68, 32) |-- (250, 218), data: True |-- (250, 214), data: True |-- (500, 458), data: False |-- (500, 40), data: (500, 82) @ (82, 40) |-- (250, 210), data: True |-- (250, 208), data: True |-- (500, 452), data: False |-- (500, 46), data: (500, 94) @ (94, 46) |-- (250, 204), data: True |-- (250, 202), data: True |-- (500, 448), data: False |-- (500, 50), data: (500, 102) @ (102, 50) |-- (250, 200), data: True |-- (250, 198), data: True |-- (2704, 2652), data: False |-- (2704, 170), data: (2704, 222) @ (222, 170) |-- (204, 188), data: True |-- (500, 472), data: False |-- (500, 22), data: (500, 50) @ (50, 22) |-- (250, 228), data: True |-- (250, 222), data: True |-- (500, 464), data: False |-- (500, 32), data: (500, 68) @ (68, 32) |-- (250, 218), data: True |-- (250, 214), data: True |-- (500, 458), data: False |-- (500, 40), data: (500, 82) @ (82, 40) |-- (250, 210), data: True |-- (250, 208), data: True |-- (500, 452), data: False |-- (500, 46), data: (500, 94) @ (94, 46) |-- (250, 204), data: True |-- (250, 202), data: True |-- (500, 448), data: False |-- (500, 50), data: (500, 102) @ (102, 50) |-- (250, 200), data: True |-- (250, 198), data: True ----- Solver_atoms: 1 -- 104 / 104 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 3120 - Time: 8.023 Solver_block: 200 / 3120 - Time: 7.244 Solver_block: 300 / 3120 - Time: 6.557 Solver_block: 400 / 3120 - Time: 5.348 Solver_block: 500 / 3120 - Time: 8.875 Solver_block: 600 / 3120 - Time: 6.893 Solver_block: 700 / 3120 - Time: 7.345 Solver_block: 800 / 3120 - Time: 7.767 Solver_block: 900 / 3120 - Time: 5.896 Solver_block: 1000 / 3120 - Time: 8.571 Solver_block: 1100 / 3120 - Time: 5.510 Solver_block: 1200 / 3120 - Time: 8.746 Solver_block: 1300 / 3120 - Time: 6.890 Solver_block: 1400 / 3120 - Time: 7.927 Solver_block: 1500 / 3120 - Time: 7.549 Solver_block: 1600 / 3120 - Time: 6.709 Solver_block: 1700 / 3120 - Time: 6.120 Solver_block: 1800 / 3120 - Time: 5.440 Solver_block: 1900 / 3120 - Time: 5.469 Solver_block: 2000 / 3120 - Time: 5.132 Solver_block: 2100 / 3120 - Time: 5.209 Solver_block: 2200 / 3120 - Time: 5.569 Solver_block: 2300 / 3120 - Time: 6.927 Solver_block: 2400 / 3120 - Time: 6.386 Solver_block: 2500 / 3120 - Time: 5.427 Solver_block: 2600 / 3120 - Time: 5.400 Solver_block: 2700 / 3120 - Time: 5.624 Solver_block: 2800 / 3120 - Time: 6.679 Solver_block: 2900 / 3120 - Time: 6.332 Solver_block: 3000 / 3120 - Time: 5.990 Solver_block: 3100 / 3120 - Time: 6.582 Solver_block: 3120 / 3120 - Time: 1.305 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 212.332 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 312/312 Permutation basis: 24492/24492 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 12246 Number of blocks in projector: 12246 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: 2704 Use submatrix version of eigh solver. (1) Block: 500 / 2704 (2) Block: 250 / 500 (2) 198 eigenvectors found. (2) Block: 500 / 500 (2) 200 eigenvectors found. (2) Complementary block size: 102 (2) Compute compressed projector. (2) Use standard solver. (2) 50 eigenvectors found. (1) 448 eigenvectors found. (1) Block: 1000 / 2704 (2) Block: 250 / 500 (2) 202 eigenvectors found. (2) Block: 500 / 500 (2) 204 eigenvectors found. (2) Complementary block size: 94 (2) Compute compressed projector. (2) Use standard solver. (2) 46 eigenvectors found. (1) 452 eigenvectors found. (1) Block: 1500 / 2704 (2) Block: 250 / 500 (2) 208 eigenvectors found. (2) Block: 500 / 500 (2) 210 eigenvectors found. (2) Complementary block size: 82 (2) Compute compressed projector. (2) Use standard solver. (2) 40 eigenvectors found. (1) 458 eigenvectors found. (1) Block: 2000 / 2704 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 2500 / 2704 (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: 2704 / 2704 (1) 188 eigenvectors found. (1) Complementary block size: 222 (1) Compute compressed projector. (1) Use standard solver. (1) 170 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2704 Use submatrix version of eigh solver. (1) Block: 500 / 2704 (2) Block: 250 / 500 (2) 198 eigenvectors found. (2) Block: 500 / 500 (2) 200 eigenvectors found. (2) Complementary block size: 102 (2) Compute compressed projector. (2) Use standard solver. (2) 50 eigenvectors found. (1) 448 eigenvectors found. (1) Block: 1000 / 2704 (2) Block: 250 / 500 (2) 202 eigenvectors found. (2) Block: 500 / 500 (2) 204 eigenvectors found. (2) Complementary block size: 94 (2) Compute compressed projector. (2) Use standard solver. (2) 46 eigenvectors found. (1) 452 eigenvectors found. (1) Block: 1500 / 2704 (2) Block: 250 / 500 (2) 208 eigenvectors found. (2) Block: 500 / 500 (2) 210 eigenvectors found. (2) Complementary block size: 82 (2) Compute compressed projector. (2) Use standard solver. (2) 40 eigenvectors found. (1) 458 eigenvectors found. (1) Block: 2000 / 2704 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 2500 / 2704 (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: 2704 / 2704 (1) 188 eigenvectors found. (1) Complementary block size: 222 (1) Compute compressed projector. (1) Use standard solver. (1) 170 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2704 Use submatrix version of eigh solver. (1) Block: 500 / 2704 (2) Block: 250 / 500 (2) 199 eigenvectors found. (2) Block: 500 / 500 (2) 201 eigenvectors found. (2) Complementary block size: 100 (2) Compute compressed projector. (2) Use standard solver. (2) 49 eigenvectors found. (1) 449 eigenvectors found. (1) Block: 1000 / 2704 (2) Block: 250 / 500 (2) 203 eigenvectors found. (2) Block: 500 / 500 (2) 205 eigenvectors found. (2) Complementary block size: 92 (2) Compute compressed projector. (2) Use standard solver. (2) 45 eigenvectors found. (1) 453 eigenvectors found. (1) Block: 1500 / 2704 (2) Block: 250 / 500 (2) 209 eigenvectors found. (2) Block: 500 / 500 (2) 211 eigenvectors found. (2) Complementary block size: 80 (2) Compute compressed projector. (2) Use standard solver. (2) 39 eigenvectors found. (1) 459 eigenvectors found. (1) Block: 2000 / 2704 (2) Block: 250 / 500 (2) 215 eigenvectors found. (2) Block: 500 / 500 (2) 219 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 465 eigenvectors found. (1) Block: 2500 / 2704 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 2704 / 2704 (1) 189 eigenvectors found. (1) Complementary block size: 216 (1) Compute compressed projector. (1) Use standard solver. (1) 165 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1378 Use submatrix version of eigh solver. (1) Block: 500 / 1378 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1378 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1378 / 1378 (1) 364 eigenvectors found. (1) Complementary block size: 62 (1) Compute compressed projector. (1) Use standard solver. (1) 36 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1378 Use submatrix version of eigh solver. (1) Block: 500 / 1378 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1378 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1378 / 1378 (1) 364 eigenvectors found. (1) Complementary block size: 62 (1) Compute compressed projector. (1) Use standard solver. (1) 36 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1378 Use submatrix version of eigh solver. (1) Block: 500 / 1378 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1378 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1378 / 1378 (1) 364 eigenvectors found. (1) Complementary block size: 62 (1) Compute compressed projector. (1) Use standard solver. (1) 36 eigenvectors found. Tree of FC basis block matrices: - (12246, 12013), data: False |-- (1378, 1352), data: False |-- (1378, 36), data: (1378, 62) @ (62, 36) |-- (378, 364), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (1378, 1352), data: False |-- (1378, 36), data: (1378, 62) @ (62, 36) |-- (378, 364), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (1378, 1352), data: False |-- (1378, 36), data: (1378, 62) @ (62, 36) |-- (378, 364), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (2704, 2653), data: False |-- (2704, 165), data: (2704, 216) @ (216, 165) |-- (204, 189), data: True |-- (500, 473), data: False |-- (500, 21), data: (500, 48) @ (48, 21) |-- (250, 229), data: True |-- (250, 223), data: True |-- (500, 465), data: False |-- (500, 31), data: (500, 66) @ (66, 31) |-- (250, 219), data: True |-- (250, 215), data: True |-- (500, 459), data: False |-- (500, 39), data: (500, 80) @ (80, 39) |-- (250, 211), data: True |-- (250, 209), data: True |-- (500, 453), data: False |-- (500, 45), data: (500, 92) @ (92, 45) |-- (250, 205), data: True |-- (250, 203), data: True |-- (500, 449), data: False |-- (500, 49), data: (500, 100) @ (100, 49) |-- (250, 201), data: True |-- (250, 199), data: True |-- (2704, 2652), data: False |-- (2704, 170), data: (2704, 222) @ (222, 170) |-- (204, 188), data: True |-- (500, 472), data: False |-- (500, 22), data: (500, 50) @ (50, 22) |-- (250, 228), data: True |-- (250, 222), data: True |-- (500, 464), data: False |-- (500, 32), data: (500, 68) @ (68, 32) |-- (250, 218), data: True |-- (250, 214), data: True |-- (500, 458), data: False |-- (500, 40), data: (500, 82) @ (82, 40) |-- (250, 210), data: True |-- (250, 208), data: True |-- (500, 452), data: False |-- (500, 46), data: (500, 94) @ (94, 46) |-- (250, 204), data: True |-- (250, 202), data: True |-- (500, 448), data: False |-- (500, 50), data: (500, 102) @ (102, 50) |-- (250, 200), data: True |-- (250, 198), data: True |-- (2704, 2652), data: False |-- (2704, 170), data: (2704, 222) @ (222, 170) |-- (204, 188), data: True |-- (500, 472), data: False |-- (500, 22), data: (500, 50) @ (50, 22) |-- (250, 228), data: True |-- (250, 222), data: True |-- (500, 464), data: False |-- (500, 32), data: (500, 68) @ (68, 32) |-- (250, 218), data: True |-- (250, 214), data: True |-- (500, 458), data: False |-- (500, 40), data: (500, 82) @ (82, 40) |-- (250, 210), data: True |-- (250, 208), data: True |-- (500, 452), data: False |-- (500, 46), data: (500, 94) @ (94, 46) |-- (250, 204), data: True |-- (250, 202), data: True |-- (500, 448), data: False |-- (500, 50), data: (500, 102) @ (102, 50) |-- (250, 200), data: True |-- (250, 198), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 11:02:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:02:01]------------------------- 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 (4) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.473005300018530 0.000000000000000 0.000000000000000 b 0.000000000000000 4.684387079999999 0.000000000000000 c -0.885282344330490 0.000000000000000 13.966476064039641 Atomic positions (fractional): 1 Ba 0.85593992885453 0.70522584695867 0.03048957604755 137.327 2 Ba 0.41796992278093 0.73855054642844 0.39000086017737 137.327 3 Ba 0.41682300980854 0.69228334010681 0.88951146762348 137.327 4 Ba 0.58203007721907 0.23855054642844 0.60999913982263 137.327 5 Ba 0.85678826437775 0.69298820221076 0.53259567593445 137.327 6 Ba 0.58317699019146 0.19228334010681 0.11048853237652 137.327 7 Ba 0.14406007114547 0.20522584695867 0.96951042395245 137.327 8 Ba 0.14321173562226 0.19298820221076 0.46740432406555 137.327 9 Si 0.35098935290464 0.76072964102391 0.11122908272968 28.085 10 Si 0.72322161167400 0.76787857651929 0.77541458565940 28.085 11 Si 0.27677838832600 0.26787857651929 0.22458541434060 28.085 12 Si 0.72286679119182 0.66920459614944 0.27481856105601 28.085 13 Si 0.97506421243724 0.76492321652738 0.81293156825588 28.085 14 Si 0.64901064709536 0.26072964102391 0.88877091727032 28.085 15 Si 0.97148398591808 0.76351139113386 0.31262813054836 28.085 16 Si 0.64996812371675 0.16785047438430 0.38861485402512 28.085 17 Si 0.02851601408192 0.26351139113386 0.68737186945164 28.085 18 Si 0.02493578756276 0.26492321652738 0.18706843174412 28.085 19 Si 0.35003187628325 0.66785047438430 0.61138514597488 28.085 20 Si 0.27713320880818 0.16920459614944 0.72518143894399 28.085 21 O 0.52789617559119 0.19110030205638 0.91598086362603 15.999 22 O 0.28704548022086 0.18709371947901 0.33519242816557 15.999 23 O 0.64513592248445 0.59787907791128 0.84800058312793 15.999 24 O 0.84227383563966 0.72850974982888 0.32839525402257 15.999 25 O 0.31079351273848 0.83368520742166 0.70899063013711 15.999 26 O 0.96431563096682 0.18437826259872 0.08720646736296 15.999 27 O 0.73561968236202 0.19169741582698 0.47937469919000 15.999 28 O 0.26488099002106 0.71906251095388 0.02162046194894 15.999 29 O 0.36091762946065 0.33678480916345 0.65714169194608 15.999 30 O 0.52960569499520 0.24711275663307 0.41575008584372 15.999 31 O 0.99696533781667 0.09941539512759 0.28641738999434 15.999 32 O 0.15772616436034 0.22850974982888 0.67160474597743 15.999 33 O 0.96524946994059 0.18148517559787 0.58868586204122 15.999 34 O 0.00224241613420 0.10008146289133 0.78737091848086 15.999 35 O 0.73511900997894 0.21906251095388 0.97837953805106 15.999 36 O 0.68920648726152 0.33368520742166 0.29100936986289 15.999 37 O 0.26438031763798 0.69169741582698 0.52062530081000 15.999 38 O 0.47210382440881 0.69110030205638 0.08401913637397 15.999 39 O 0.31693980794805 0.59978614723249 0.21146273362504 15.999 40 O 0.84524184701018 0.73606044959744 0.82652450628269 15.999 41 O 0.03475053005941 0.68148517559787 0.41131413795878 15.999 42 O 0.99775758386580 0.60008146289133 0.21262908151914 15.999 43 O 0.15475815298982 0.23606044959744 0.17347549371731 15.999 44 O 0.35486407751555 0.09787907791128 0.15199941687207 15.999 45 O 0.71330469877686 0.73682175623706 0.16320178169326 15.999 46 O 0.00303466218333 0.59941539512759 0.71358261000566 15.999 47 O 0.03568436903318 0.68437826259872 0.91279353263704 15.999 48 O 0.47039430500480 0.74711275663307 0.58424991415628 15.999 49 O 0.71295451977914 0.68709371947901 0.66480757183443 15.999 50 O 0.63908237053935 0.83678480916345 0.34285830805391 15.999 51 O 0.68306019205195 0.09978614723249 0.78853726637496 15.999 52 O 0.28669530122314 0.23682175623706 0.83679821830674 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.473005300018530 0.000000000000000 0.000000000000000 b 0.000000000000000 9.368774159999997 0.000000000000000 c -0.885282344330490 0.000000000000000 13.966476064039641 Atomic positions (fractional): 1 Ba 0.85593992885453 0.35261292347934 0.03048957604755 137.327 > 1 2 Ba 0.85593992885453 0.85261292347934 0.03048957604755 137.327 > 1 3 Ba 0.41796992278093 0.36927527321422 0.39000086017737 137.327 > 3 4 Ba 0.41796992278093 0.86927527321422 0.39000086017737 137.327 > 3 5 Ba 0.41682300980854 0.34614167005340 0.88951146762348 137.327 > 5 6 Ba 0.41682300980854 0.84614167005340 0.88951146762348 137.327 > 5 7 Ba 0.58203007721907 0.11927527321422 0.60999913982263 137.327 > 7 8 Ba 0.58203007721907 0.61927527321422 0.60999913982263 137.327 > 7 9 Ba 0.85678826437775 0.34649410110538 0.53259567593445 137.327 > 9 10 Ba 0.85678826437775 0.84649410110538 0.53259567593445 137.327 > 9 11 Ba 0.58317699019146 0.09614167005340 0.11048853237652 137.327 > 11 12 Ba 0.58317699019146 0.59614167005340 0.11048853237652 137.327 > 11 13 Ba 0.14406007114547 0.10261292347934 0.96951042395245 137.327 > 13 14 Ba 0.14406007114547 0.60261292347934 0.96951042395245 137.327 > 13 15 Ba 0.14321173562226 0.09649410110538 0.46740432406555 137.327 > 15 16 Ba 0.14321173562226 0.59649410110538 0.46740432406555 137.327 > 15 17 Si 0.35098935290464 0.38036482051195 0.11122908272968 28.085 > 17 18 Si 0.35098935290464 0.88036482051195 0.11122908272968 28.085 > 17 19 Si 0.72322161167400 0.38393928825965 0.77541458565940 28.085 > 19 20 Si 0.72322161167400 0.88393928825965 0.77541458565940 28.085 > 19 21 Si 0.27677838832600 0.13393928825965 0.22458541434060 28.085 > 21 22 Si 0.27677838832600 0.63393928825965 0.22458541434060 28.085 > 21 23 Si 0.72286679119182 0.33460229807472 0.27481856105601 28.085 > 23 24 Si 0.72286679119182 0.83460229807472 0.27481856105601 28.085 > 23 25 Si 0.97506421243724 0.38246160826369 0.81293156825588 28.085 > 25 26 Si 0.97506421243724 0.88246160826369 0.81293156825588 28.085 > 25 27 Si 0.64901064709536 0.13036482051195 0.88877091727032 28.085 > 27 28 Si 0.64901064709536 0.63036482051195 0.88877091727032 28.085 > 27 29 Si 0.97148398591808 0.38175569556693 0.31262813054836 28.085 > 29 30 Si 0.97148398591808 0.88175569556693 0.31262813054836 28.085 > 29 31 Si 0.64996812371675 0.08392523719215 0.38861485402512 28.085 > 31 32 Si 0.64996812371675 0.58392523719215 0.38861485402512 28.085 > 31 33 Si 0.02851601408192 0.13175569556693 0.68737186945164 28.085 > 33 34 Si 0.02851601408192 0.63175569556693 0.68737186945164 28.085 > 33 35 Si 0.02493578756276 0.13246160826369 0.18706843174412 28.085 > 35 36 Si 0.02493578756276 0.63246160826369 0.18706843174412 28.085 > 35 37 Si 0.35003187628325 0.33392523719215 0.61138514597488 28.085 > 37 38 Si 0.35003187628325 0.83392523719215 0.61138514597488 28.085 > 37 39 Si 0.27713320880818 0.08460229807472 0.72518143894399 28.085 > 39 40 Si 0.27713320880818 0.58460229807472 0.72518143894399 28.085 > 39 41 O 0.52789617559119 0.09555015102819 0.91598086362603 15.999 > 41 42 O 0.52789617559119 0.59555015102819 0.91598086362603 15.999 > 41 43 O 0.28704548022086 0.09354685973950 0.33519242816557 15.999 > 43 44 O 0.28704548022086 0.59354685973951 0.33519242816557 15.999 > 43 45 O 0.64513592248445 0.29893953895564 0.84800058312793 15.999 > 45 46 O 0.64513592248445 0.79893953895564 0.84800058312793 15.999 > 45 47 O 0.84227383563966 0.36425487491444 0.32839525402257 15.999 > 47 48 O 0.84227383563966 0.86425487491444 0.32839525402257 15.999 > 47 49 O 0.31079351273848 0.41684260371083 0.70899063013711 15.999 > 49 50 O 0.31079351273848 0.91684260371083 0.70899063013711 15.999 > 49 51 O 0.96431563096682 0.09218913129936 0.08720646736296 15.999 > 51 52 O 0.96431563096682 0.59218913129936 0.08720646736296 15.999 > 51 53 O 0.73561968236202 0.09584870791349 0.47937469919000 15.999 > 53 54 O 0.73561968236202 0.59584870791349 0.47937469919000 15.999 > 53 55 O 0.26488099002106 0.35953125547694 0.02162046194894 15.999 > 55 56 O 0.26488099002106 0.85953125547694 0.02162046194894 15.999 > 55 57 O 0.36091762946065 0.16839240458172 0.65714169194608 15.999 > 57 58 O 0.36091762946065 0.66839240458172 0.65714169194608 15.999 > 57 59 O 0.52960569499520 0.12355637831654 0.41575008584372 15.999 > 59 60 O 0.52960569499520 0.62355637831654 0.41575008584372 15.999 > 59 61 O 0.99696533781667 0.04970769756380 0.28641738999434 15.999 > 61 62 O 0.99696533781667 0.54970769756380 0.28641738999434 15.999 > 61 63 O 0.15772616436034 0.11425487491444 0.67160474597743 15.999 > 63 64 O 0.15772616436034 0.61425487491444 0.67160474597743 15.999 > 63 65 O 0.96524946994059 0.09074258779894 0.58868586204122 15.999 > 65 66 O 0.96524946994059 0.59074258779894 0.58868586204122 15.999 > 65 67 O 0.00224241613420 0.05004073144566 0.78737091848086 15.999 > 67 68 O 0.00224241613420 0.55004073144566 0.78737091848086 15.999 > 67 69 O 0.73511900997894 0.10953125547694 0.97837953805106 15.999 > 69 70 O 0.73511900997894 0.60953125547694 0.97837953805106 15.999 > 69 71 O 0.68920648726152 0.16684260371083 0.29100936986289 15.999 > 71 72 O 0.68920648726152 0.66684260371083 0.29100936986289 15.999 > 71 73 O 0.26438031763798 0.34584870791349 0.52062530081000 15.999 > 73 74 O 0.26438031763798 0.84584870791349 0.52062530081000 15.999 > 73 75 O 0.47210382440881 0.34555015102819 0.08401913637397 15.999 > 75 76 O 0.47210382440881 0.84555015102819 0.08401913637397 15.999 > 75 77 O 0.31693980794805 0.29989307361624 0.21146273362504 15.999 > 77 78 O 0.31693980794805 0.79989307361624 0.21146273362504 15.999 > 77 79 O 0.84524184701018 0.36803022479872 0.82652450628269 15.999 > 79 80 O 0.84524184701018 0.86803022479872 0.82652450628269 15.999 > 79 81 O 0.03475053005941 0.34074258779894 0.41131413795878 15.999 > 81 82 O 0.03475053005941 0.84074258779894 0.41131413795878 15.999 > 81 83 O 0.99775758386580 0.30004073144566 0.21262908151914 15.999 > 83 84 O 0.99775758386580 0.80004073144566 0.21262908151914 15.999 > 83 85 O 0.15475815298982 0.11803022479872 0.17347549371731 15.999 > 85 86 O 0.15475815298982 0.61803022479872 0.17347549371731 15.999 > 85 87 O 0.35486407751555 0.04893953895564 0.15199941687207 15.999 > 87 88 O 0.35486407751555 0.54893953895564 0.15199941687207 15.999 > 87 89 O 0.71330469877686 0.36841087811853 0.16320178169326 15.999 > 89 90 O 0.71330469877686 0.86841087811853 0.16320178169326 15.999 > 89 91 O 0.00303466218333 0.29970769756380 0.71358261000566 15.999 > 91 92 O 0.00303466218333 0.79970769756380 0.71358261000566 15.999 > 91 93 O 0.03568436903318 0.34218913129936 0.91279353263704 15.999 > 93 94 O 0.03568436903318 0.84218913129936 0.91279353263704 15.999 > 93 95 O 0.47039430500480 0.37355637831654 0.58424991415628 15.999 > 95 96 O 0.47039430500480 0.87355637831654 0.58424991415628 15.999 > 95 97 O 0.71295451977914 0.34354685973950 0.66480757183443 15.999 > 97 98 O 0.71295451977914 0.84354685973951 0.66480757183443 15.999 > 97 99 O 0.63908237053935 0.41839240458172 0.34285830805391 15.999 > 99 100 O 0.63908237053935 0.91839240458172 0.34285830805391 15.999 > 99 101 O 0.68306019205195 0.04989307361624 0.78853726637496 15.999 > 101 102 O 0.68306019205195 0.54989307361624 0.78853726637496 15.999 > 101 103 O 0.28669530122314 0.11841087811853 0.83679821830674 15.999 > 103 104 O 0.28669530122314 0.61841087811853 0.83679821830674 15.999 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8160303 0.0000000 -0.0118462 0.0000000 2.8437938 0.0000000 -0.0118471 0.0000000 2.9188188 -------------------------- Born effective charges -------------------------- 1 Ba 2.6240023 0.0660770 -0.0554458 0.0518110 2.6909635 0.0337719 -0.0962311 0.0580415 2.6731746 2 Ba 2.5281839 -0.0552453 0.0788966 -0.0287889 2.6696325 -0.0277834 0.1213703 -0.0536717 2.5825522 3 Ba 2.5086989 0.0360696 0.0842623 0.0136108 2.6937542 0.0311736 0.1252639 0.0444769 2.5650904 4 Ba 2.5281839 0.0552453 0.0788966 0.0287889 2.6696325 0.0277834 0.1213703 0.0536717 2.5825522 5 Ba 2.6137596 0.0141895 -0.0604755 -0.0050502 2.6936509 -0.0447577 -0.1002116 -0.0168113 2.6745314 6 Ba 2.5086989 -0.0360696 0.0842623 -0.0136108 2.6937542 -0.0311736 0.1252639 -0.0444769 2.5650904 7 Ba 2.6240023 -0.0660770 -0.0554458 -0.0518110 2.6909635 -0.0337719 -0.0962311 -0.0580415 2.6731746 8 Ba 2.6137596 -0.0141895 -0.0604755 0.0050502 2.6936509 0.0447577 -0.1002116 0.0168113 2.6745314 9 Si 2.7208924 -0.1552762 -0.2372982 0.0874282 2.8328083 -0.0605908 -0.1145193 0.2140912 3.0643133 10 Si 3.0643913 -0.2080301 0.1117513 0.0384842 3.0676489 -0.0595558 -0.0898533 0.1759402 3.2622520 11 Si 3.0643913 0.2080301 0.1117513 -0.0384842 3.0676489 0.0595558 -0.0898533 -0.1759402 3.2622520 12 Si 3.0388913 0.2709615 0.1227216 -0.0376034 3.0962341 0.1157554 -0.0933491 -0.1267910 3.2479085 13 Si 3.1966383 0.2627315 -0.1269129 0.0417384 3.0252645 0.1646886 -0.0535540 -0.2155629 3.1863339 14 Si 2.7208924 0.1552762 -0.2372982 -0.0874282 2.8328083 0.0605908 -0.1145193 -0.2140912 3.0643133 15 Si 3.1883291 0.2943068 -0.1206917 0.1068006 3.0388385 0.1444048 -0.0232424 -0.2281640 3.1849963 16 Si 2.7362929 -0.1659108 -0.2356520 0.1055886 2.7969618 -0.0284508 -0.1208836 0.2042959 3.0807705 17 Si 3.1883291 -0.2943068 -0.1206917 -0.1068006 3.0388385 -0.1444048 -0.0232424 0.2281640 3.1849963 18 Si 3.1966383 -0.2627315 -0.1269129 -0.0417384 3.0252645 -0.1646886 -0.0535540 0.2155629 3.1863339 19 Si 2.7362929 0.1659108 -0.2356520 -0.1055886 2.7969618 0.0284508 -0.1208836 -0.2042959 3.0807705 20 Si 3.0388913 -0.2709615 0.1227216 0.0376034 3.0962341 -0.1157554 -0.0933491 0.1267910 3.2479085 21 O -2.0673898 -0.1451128 0.0182243 -0.1107325 -1.7637323 0.0144374 0.0620200 0.0636633 -1.5982051 22 O -1.6030899 0.0929751 0.0884352 0.1138646 -1.5639182 0.1562070 0.1518777 0.2406994 -2.2314433 23 O -1.5604931 -0.3116134 0.3968299 -0.3340440 -2.2663714 0.6620812 0.3838861 0.5605795 -1.6175881 24 O -2.9343657 -0.2244915 -0.3292193 -0.1492247 -0.9928883 -0.0723857 -0.1904311 -0.0019768 -1.5687201 25 O -1.1740451 0.4415523 0.2376571 0.4632934 -2.2179489 -0.5780762 0.2018824 -0.4623268 -2.0254654 26 O -1.6975708 -0.1079756 -0.2219277 -0.1058390 -1.7224286 -0.1101700 -0.1689835 -0.1847349 -1.9060438 27 O -1.8258086 0.0468627 -0.1697944 0.0066708 -1.5896840 -0.0504265 -0.3045432 -0.0697384 -1.9066581 28 O -1.8246010 0.0409391 -0.1634786 0.0075209 -1.5991000 -0.0411316 -0.2995602 -0.0629199 -1.8992077 29 O -1.6154073 -0.2732424 0.4040399 -0.3071737 -2.2205049 0.6651576 0.3843291 0.5572042 -1.6073149 30 O -2.0587431 0.1959652 0.0241309 0.1534445 -1.7664341 -0.0078136 0.0673636 -0.0564953 -1.6132109 31 O -1.1848015 -0.4061565 0.2019745 -0.3274104 -2.2381074 0.6988282 0.1085113 0.5735624 -1.8907549 32 O -2.9343657 0.2244915 -0.3292193 0.1492247 -0.9928883 0.0723857 -0.1904311 0.0019768 -1.5687201 33 O -1.7044275 -0.0690312 -0.2340371 -0.0786777 -1.7301396 -0.0902078 -0.1878756 -0.1657250 -1.9037315 34 O -1.2083584 -0.4171957 0.2074212 -0.3279364 -2.2160047 0.6853773 0.1104106 0.5633589 -1.8935359 35 O -1.8246010 -0.0409391 -0.1634786 -0.0075209 -1.5991000 0.0411316 -0.2995602 0.0629199 -1.8992077 36 O -1.1740451 -0.4415523 0.2376571 -0.4632934 -2.2179489 0.5780762 0.2018824 0.4623268 -2.0254654 37 O -1.8258086 -0.0468627 -0.1697944 -0.0066708 -1.5896840 0.0504265 -0.3045432 0.0697384 -1.9066581 38 O -2.0673898 0.1451128 0.0182243 0.1107325 -1.7637323 -0.0144374 0.0620200 -0.0636633 -1.5982051 39 O -1.1883916 -0.4617443 0.2161540 -0.4642353 -2.1767046 0.5669238 0.1641429 0.4237087 -2.0679388 40 O -2.9765027 -0.0138212 -0.3304640 0.0006224 -0.9717822 0.0250711 -0.1916089 0.0488813 -1.5555199 41 O -1.7044275 0.0690312 -0.2340371 0.0786777 -1.7301396 0.0902078 -0.1878756 0.1657250 -1.9037315 42 O -1.2083584 0.4171957 0.2074212 0.3279364 -2.2160047 -0.6853773 0.1104106 -0.5633589 -1.8935359 43 O -2.9765027 0.0138212 -0.3304640 -0.0006224 -0.9717822 -0.0250711 -0.1916089 -0.0488813 -1.5555199 44 O -1.5604931 0.3116134 0.3968299 0.3340440 -2.2663714 -0.6620812 0.3838861 -0.5605795 -1.6175881 45 O -1.5960841 0.0867744 0.0928985 0.1288731 -1.5700079 0.1138979 0.1537892 0.1734732 -2.2365848 46 O -1.1848015 0.4061565 0.2019745 0.3274104 -2.2381074 -0.6988282 0.1085113 -0.5735624 -1.8907549 47 O -1.6975708 0.1079756 -0.2219277 0.1058390 -1.7224286 0.1101700 -0.1689835 0.1847349 -1.9060438 48 O -2.0587431 -0.1959652 0.0241309 -0.1534445 -1.7664341 0.0078136 0.0673636 0.0564953 -1.6132109 49 O -1.6030899 -0.0929751 0.0884352 -0.1138646 -1.5639182 -0.1562070 0.1518777 -0.2406994 -2.2314433 50 O -1.6154073 0.2732424 0.4040399 0.3071737 -2.2205049 -0.6651576 0.3843291 -0.5572042 -1.6073149 51 O -1.1883916 0.4617443 0.2161540 0.4642353 -2.1767046 -0.5669238 0.1641429 -0.4237087 -2.0679388 52 O -1.5960841 -0.0867744 0.0928985 -0.1288731 -1.5700079 -0.1138979 0.1537892 -0.1734732 -2.2365848 ---------------------------------------------------------------------------- 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 5, 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 19, 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 23, 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 29, 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 31, 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 43, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 45, 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 47, 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 51, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 57, 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 77, 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 79, 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:03:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:03:45]------------------------- 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 (4) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.473005300018530 0.000000000000000 0.000000000000000 b 0.000000000000000 4.684387079999999 0.000000000000000 c -0.885282344330490 0.000000000000000 13.966476064039641 Atomic positions (fractional): 1 Ba 0.85593992885453 0.70522584695867 0.03048957604755 137.327 2 Ba 0.41796992278093 0.73855054642844 0.39000086017737 137.327 3 Ba 0.41682300980854 0.69228334010681 0.88951146762348 137.327 4 Ba 0.58203007721907 0.23855054642844 0.60999913982263 137.327 5 Ba 0.85678826437775 0.69298820221076 0.53259567593445 137.327 6 Ba 0.58317699019146 0.19228334010681 0.11048853237652 137.327 7 Ba 0.14406007114547 0.20522584695867 0.96951042395245 137.327 8 Ba 0.14321173562226 0.19298820221076 0.46740432406555 137.327 9 Si 0.35098935290464 0.76072964102391 0.11122908272968 28.085 10 Si 0.72322161167400 0.76787857651929 0.77541458565940 28.085 11 Si 0.27677838832600 0.26787857651929 0.22458541434060 28.085 12 Si 0.72286679119182 0.66920459614944 0.27481856105601 28.085 13 Si 0.97506421243724 0.76492321652738 0.81293156825588 28.085 14 Si 0.64901064709536 0.26072964102391 0.88877091727032 28.085 15 Si 0.97148398591808 0.76351139113386 0.31262813054836 28.085 16 Si 0.64996812371675 0.16785047438430 0.38861485402512 28.085 17 Si 0.02851601408192 0.26351139113386 0.68737186945164 28.085 18 Si 0.02493578756276 0.26492321652738 0.18706843174412 28.085 19 Si 0.35003187628325 0.66785047438430 0.61138514597488 28.085 20 Si 0.27713320880818 0.16920459614944 0.72518143894399 28.085 21 O 0.52789617559119 0.19110030205638 0.91598086362603 15.999 22 O 0.28704548022086 0.18709371947901 0.33519242816557 15.999 23 O 0.64513592248445 0.59787907791128 0.84800058312793 15.999 24 O 0.84227383563966 0.72850974982888 0.32839525402257 15.999 25 O 0.31079351273848 0.83368520742166 0.70899063013711 15.999 26 O 0.96431563096682 0.18437826259872 0.08720646736296 15.999 27 O 0.73561968236202 0.19169741582698 0.47937469919000 15.999 28 O 0.26488099002106 0.71906251095388 0.02162046194894 15.999 29 O 0.36091762946065 0.33678480916345 0.65714169194608 15.999 30 O 0.52960569499520 0.24711275663307 0.41575008584372 15.999 31 O 0.99696533781667 0.09941539512759 0.28641738999434 15.999 32 O 0.15772616436034 0.22850974982888 0.67160474597743 15.999 33 O 0.96524946994059 0.18148517559787 0.58868586204122 15.999 34 O 0.00224241613420 0.10008146289133 0.78737091848086 15.999 35 O 0.73511900997894 0.21906251095388 0.97837953805106 15.999 36 O 0.68920648726152 0.33368520742166 0.29100936986289 15.999 37 O 0.26438031763798 0.69169741582698 0.52062530081000 15.999 38 O 0.47210382440881 0.69110030205638 0.08401913637397 15.999 39 O 0.31693980794805 0.59978614723249 0.21146273362504 15.999 40 O 0.84524184701018 0.73606044959744 0.82652450628269 15.999 41 O 0.03475053005941 0.68148517559787 0.41131413795878 15.999 42 O 0.99775758386580 0.60008146289133 0.21262908151914 15.999 43 O 0.15475815298982 0.23606044959744 0.17347549371731 15.999 44 O 0.35486407751555 0.09787907791128 0.15199941687207 15.999 45 O 0.71330469877686 0.73682175623706 0.16320178169326 15.999 46 O 0.00303466218333 0.59941539512759 0.71358261000566 15.999 47 O 0.03568436903318 0.68437826259872 0.91279353263704 15.999 48 O 0.47039430500480 0.74711275663307 0.58424991415628 15.999 49 O 0.71295451977914 0.68709371947901 0.66480757183443 15.999 50 O 0.63908237053935 0.83678480916345 0.34285830805391 15.999 51 O 0.68306019205195 0.09978614723249 0.78853726637496 15.999 52 O 0.28669530122314 0.23682175623706 0.83679821830674 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.473005300018530 0.000000000000000 0.000000000000000 b 0.000000000000000 9.368774159999997 0.000000000000000 c -0.885282344330490 0.000000000000000 13.966476064039641 Atomic positions (fractional): 1 Ba 0.85593992885453 0.35261292347934 0.03048957604755 137.327 > 1 2 Ba 0.85593992885453 0.85261292347934 0.03048957604755 137.327 > 1 3 Ba 0.41796992278093 0.36927527321422 0.39000086017737 137.327 > 3 4 Ba 0.41796992278093 0.86927527321422 0.39000086017737 137.327 > 3 5 Ba 0.41682300980854 0.34614167005340 0.88951146762348 137.327 > 5 6 Ba 0.41682300980854 0.84614167005340 0.88951146762348 137.327 > 5 7 Ba 0.58203007721907 0.11927527321422 0.60999913982263 137.327 > 7 8 Ba 0.58203007721907 0.61927527321422 0.60999913982263 137.327 > 7 9 Ba 0.85678826437775 0.34649410110538 0.53259567593445 137.327 > 9 10 Ba 0.85678826437775 0.84649410110538 0.53259567593445 137.327 > 9 11 Ba 0.58317699019146 0.09614167005340 0.11048853237652 137.327 > 11 12 Ba 0.58317699019146 0.59614167005340 0.11048853237652 137.327 > 11 13 Ba 0.14406007114547 0.10261292347934 0.96951042395245 137.327 > 13 14 Ba 0.14406007114547 0.60261292347934 0.96951042395245 137.327 > 13 15 Ba 0.14321173562226 0.09649410110538 0.46740432406555 137.327 > 15 16 Ba 0.14321173562226 0.59649410110538 0.46740432406555 137.327 > 15 17 Si 0.35098935290464 0.38036482051195 0.11122908272968 28.085 > 17 18 Si 0.35098935290464 0.88036482051195 0.11122908272968 28.085 > 17 19 Si 0.72322161167400 0.38393928825965 0.77541458565940 28.085 > 19 20 Si 0.72322161167400 0.88393928825965 0.77541458565940 28.085 > 19 21 Si 0.27677838832600 0.13393928825965 0.22458541434060 28.085 > 21 22 Si 0.27677838832600 0.63393928825965 0.22458541434060 28.085 > 21 23 Si 0.72286679119182 0.33460229807472 0.27481856105601 28.085 > 23 24 Si 0.72286679119182 0.83460229807472 0.27481856105601 28.085 > 23 25 Si 0.97506421243724 0.38246160826369 0.81293156825588 28.085 > 25 26 Si 0.97506421243724 0.88246160826369 0.81293156825588 28.085 > 25 27 Si 0.64901064709536 0.13036482051195 0.88877091727032 28.085 > 27 28 Si 0.64901064709536 0.63036482051195 0.88877091727032 28.085 > 27 29 Si 0.97148398591808 0.38175569556693 0.31262813054836 28.085 > 29 30 Si 0.97148398591808 0.88175569556693 0.31262813054836 28.085 > 29 31 Si 0.64996812371675 0.08392523719215 0.38861485402512 28.085 > 31 32 Si 0.64996812371675 0.58392523719215 0.38861485402512 28.085 > 31 33 Si 0.02851601408192 0.13175569556693 0.68737186945164 28.085 > 33 34 Si 0.02851601408192 0.63175569556693 0.68737186945164 28.085 > 33 35 Si 0.02493578756276 0.13246160826369 0.18706843174412 28.085 > 35 36 Si 0.02493578756276 0.63246160826369 0.18706843174412 28.085 > 35 37 Si 0.35003187628325 0.33392523719215 0.61138514597488 28.085 > 37 38 Si 0.35003187628325 0.83392523719215 0.61138514597488 28.085 > 37 39 Si 0.27713320880818 0.08460229807472 0.72518143894399 28.085 > 39 40 Si 0.27713320880818 0.58460229807472 0.72518143894399 28.085 > 39 41 O 0.52789617559119 0.09555015102819 0.91598086362603 15.999 > 41 42 O 0.52789617559119 0.59555015102819 0.91598086362603 15.999 > 41 43 O 0.28704548022086 0.09354685973950 0.33519242816557 15.999 > 43 44 O 0.28704548022086 0.59354685973951 0.33519242816557 15.999 > 43 45 O 0.64513592248445 0.29893953895564 0.84800058312793 15.999 > 45 46 O 0.64513592248445 0.79893953895564 0.84800058312793 15.999 > 45 47 O 0.84227383563966 0.36425487491444 0.32839525402257 15.999 > 47 48 O 0.84227383563966 0.86425487491444 0.32839525402257 15.999 > 47 49 O 0.31079351273848 0.41684260371083 0.70899063013711 15.999 > 49 50 O 0.31079351273848 0.91684260371083 0.70899063013711 15.999 > 49 51 O 0.96431563096682 0.09218913129936 0.08720646736296 15.999 > 51 52 O 0.96431563096682 0.59218913129936 0.08720646736296 15.999 > 51 53 O 0.73561968236202 0.09584870791349 0.47937469919000 15.999 > 53 54 O 0.73561968236202 0.59584870791349 0.47937469919000 15.999 > 53 55 O 0.26488099002106 0.35953125547694 0.02162046194894 15.999 > 55 56 O 0.26488099002106 0.85953125547694 0.02162046194894 15.999 > 55 57 O 0.36091762946065 0.16839240458172 0.65714169194608 15.999 > 57 58 O 0.36091762946065 0.66839240458172 0.65714169194608 15.999 > 57 59 O 0.52960569499520 0.12355637831654 0.41575008584372 15.999 > 59 60 O 0.52960569499520 0.62355637831654 0.41575008584372 15.999 > 59 61 O 0.99696533781667 0.04970769756380 0.28641738999434 15.999 > 61 62 O 0.99696533781667 0.54970769756380 0.28641738999434 15.999 > 61 63 O 0.15772616436034 0.11425487491444 0.67160474597743 15.999 > 63 64 O 0.15772616436034 0.61425487491444 0.67160474597743 15.999 > 63 65 O 0.96524946994059 0.09074258779894 0.58868586204122 15.999 > 65 66 O 0.96524946994059 0.59074258779894 0.58868586204122 15.999 > 65 67 O 0.00224241613420 0.05004073144566 0.78737091848086 15.999 > 67 68 O 0.00224241613420 0.55004073144566 0.78737091848086 15.999 > 67 69 O 0.73511900997894 0.10953125547694 0.97837953805106 15.999 > 69 70 O 0.73511900997894 0.60953125547694 0.97837953805106 15.999 > 69 71 O 0.68920648726152 0.16684260371083 0.29100936986289 15.999 > 71 72 O 0.68920648726152 0.66684260371083 0.29100936986289 15.999 > 71 73 O 0.26438031763798 0.34584870791349 0.52062530081000 15.999 > 73 74 O 0.26438031763798 0.84584870791349 0.52062530081000 15.999 > 73 75 O 0.47210382440881 0.34555015102819 0.08401913637397 15.999 > 75 76 O 0.47210382440881 0.84555015102819 0.08401913637397 15.999 > 75 77 O 0.31693980794805 0.29989307361624 0.21146273362504 15.999 > 77 78 O 0.31693980794805 0.79989307361624 0.21146273362504 15.999 > 77 79 O 0.84524184701018 0.36803022479872 0.82652450628269 15.999 > 79 80 O 0.84524184701018 0.86803022479872 0.82652450628269 15.999 > 79 81 O 0.03475053005941 0.34074258779894 0.41131413795878 15.999 > 81 82 O 0.03475053005941 0.84074258779894 0.41131413795878 15.999 > 81 83 O 0.99775758386580 0.30004073144566 0.21262908151914 15.999 > 83 84 O 0.99775758386580 0.80004073144566 0.21262908151914 15.999 > 83 85 O 0.15475815298982 0.11803022479872 0.17347549371731 15.999 > 85 86 O 0.15475815298982 0.61803022479872 0.17347549371731 15.999 > 85 87 O 0.35486407751555 0.04893953895564 0.15199941687207 15.999 > 87 88 O 0.35486407751555 0.54893953895564 0.15199941687207 15.999 > 87 89 O 0.71330469877686 0.36841087811853 0.16320178169326 15.999 > 89 90 O 0.71330469877686 0.86841087811853 0.16320178169326 15.999 > 89 91 O 0.00303466218333 0.29970769756380 0.71358261000566 15.999 > 91 92 O 0.00303466218333 0.79970769756380 0.71358261000566 15.999 > 91 93 O 0.03568436903318 0.34218913129936 0.91279353263704 15.999 > 93 94 O 0.03568436903318 0.84218913129936 0.91279353263704 15.999 > 93 95 O 0.47039430500480 0.37355637831654 0.58424991415628 15.999 > 95 96 O 0.47039430500480 0.87355637831654 0.58424991415628 15.999 > 95 97 O 0.71295451977914 0.34354685973950 0.66480757183443 15.999 > 97 98 O 0.71295451977914 0.84354685973951 0.66480757183443 15.999 > 97 99 O 0.63908237053935 0.41839240458172 0.34285830805391 15.999 > 99 100 O 0.63908237053935 0.91839240458172 0.34285830805391 15.999 > 99 101 O 0.68306019205195 0.04989307361624 0.78853726637496 15.999 > 101 102 O 0.68306019205195 0.54989307361624 0.78853726637496 15.999 > 101 103 O 0.28669530122314 0.11841087811853 0.83679821830674 15.999 > 103 104 O 0.28669530122314 0.61841087811853 0.83679821830674 15.999 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.8160303 0.0000000 -0.0118462 0.0000000 2.8437938 0.0000000 -0.0118471 0.0000000 2.9188188 -------------------------- Born effective charges -------------------------- 1 Ba 2.6240023 0.0660770 -0.0554458 0.0518110 2.6909635 0.0337719 -0.0962311 0.0580415 2.6731746 2 Ba 2.5281839 -0.0552453 0.0788966 -0.0287889 2.6696325 -0.0277834 0.1213703 -0.0536717 2.5825522 3 Ba 2.5086989 0.0360696 0.0842623 0.0136108 2.6937542 0.0311736 0.1252639 0.0444769 2.5650904 4 Ba 2.5281839 0.0552453 0.0788966 0.0287889 2.6696325 0.0277834 0.1213703 0.0536717 2.5825522 5 Ba 2.6137596 0.0141895 -0.0604755 -0.0050502 2.6936509 -0.0447577 -0.1002116 -0.0168113 2.6745314 6 Ba 2.5086989 -0.0360696 0.0842623 -0.0136108 2.6937542 -0.0311736 0.1252639 -0.0444769 2.5650904 7 Ba 2.6240023 -0.0660770 -0.0554458 -0.0518110 2.6909635 -0.0337719 -0.0962311 -0.0580415 2.6731746 8 Ba 2.6137596 -0.0141895 -0.0604755 0.0050502 2.6936509 0.0447577 -0.1002116 0.0168113 2.6745314 9 Si 2.7208924 -0.1552762 -0.2372982 0.0874282 2.8328083 -0.0605908 -0.1145193 0.2140912 3.0643133 10 Si 3.0643913 -0.2080301 0.1117513 0.0384842 3.0676489 -0.0595558 -0.0898533 0.1759402 3.2622520 11 Si 3.0643913 0.2080301 0.1117513 -0.0384842 3.0676489 0.0595558 -0.0898533 -0.1759402 3.2622520 12 Si 3.0388913 0.2709615 0.1227216 -0.0376034 3.0962341 0.1157554 -0.0933491 -0.1267910 3.2479085 13 Si 3.1966383 0.2627315 -0.1269129 0.0417384 3.0252645 0.1646886 -0.0535540 -0.2155629 3.1863339 14 Si 2.7208924 0.1552762 -0.2372982 -0.0874282 2.8328083 0.0605908 -0.1145193 -0.2140912 3.0643133 15 Si 3.1883291 0.2943068 -0.1206917 0.1068006 3.0388385 0.1444048 -0.0232424 -0.2281640 3.1849963 16 Si 2.7362929 -0.1659108 -0.2356520 0.1055886 2.7969618 -0.0284508 -0.1208836 0.2042959 3.0807705 17 Si 3.1883291 -0.2943068 -0.1206917 -0.1068006 3.0388385 -0.1444048 -0.0232424 0.2281640 3.1849963 18 Si 3.1966383 -0.2627315 -0.1269129 -0.0417384 3.0252645 -0.1646886 -0.0535540 0.2155629 3.1863339 19 Si 2.7362929 0.1659108 -0.2356520 -0.1055886 2.7969618 0.0284508 -0.1208836 -0.2042959 3.0807705 20 Si 3.0388913 -0.2709615 0.1227216 0.0376034 3.0962341 -0.1157554 -0.0933491 0.1267910 3.2479085 21 O -2.0673898 -0.1451128 0.0182243 -0.1107325 -1.7637323 0.0144374 0.0620200 0.0636633 -1.5982051 22 O -1.6030899 0.0929751 0.0884352 0.1138646 -1.5639182 0.1562070 0.1518777 0.2406994 -2.2314433 23 O -1.5604931 -0.3116134 0.3968299 -0.3340440 -2.2663714 0.6620812 0.3838861 0.5605795 -1.6175881 24 O -2.9343657 -0.2244915 -0.3292193 -0.1492247 -0.9928883 -0.0723857 -0.1904311 -0.0019768 -1.5687201 25 O -1.1740451 0.4415523 0.2376571 0.4632934 -2.2179489 -0.5780762 0.2018824 -0.4623268 -2.0254654 26 O -1.6975708 -0.1079756 -0.2219277 -0.1058390 -1.7224286 -0.1101700 -0.1689835 -0.1847349 -1.9060438 27 O -1.8258086 0.0468627 -0.1697944 0.0066708 -1.5896840 -0.0504265 -0.3045432 -0.0697384 -1.9066581 28 O -1.8246010 0.0409391 -0.1634786 0.0075209 -1.5991000 -0.0411316 -0.2995602 -0.0629199 -1.8992077 29 O -1.6154073 -0.2732424 0.4040399 -0.3071737 -2.2205049 0.6651576 0.3843291 0.5572042 -1.6073149 30 O -2.0587431 0.1959652 0.0241309 0.1534445 -1.7664341 -0.0078136 0.0673636 -0.0564953 -1.6132109 31 O -1.1848015 -0.4061565 0.2019745 -0.3274104 -2.2381074 0.6988282 0.1085113 0.5735624 -1.8907549 32 O -2.9343657 0.2244915 -0.3292193 0.1492247 -0.9928883 0.0723857 -0.1904311 0.0019768 -1.5687201 33 O -1.7044275 -0.0690312 -0.2340371 -0.0786777 -1.7301396 -0.0902078 -0.1878756 -0.1657250 -1.9037315 34 O -1.2083584 -0.4171957 0.2074212 -0.3279364 -2.2160047 0.6853773 0.1104106 0.5633589 -1.8935359 35 O -1.8246010 -0.0409391 -0.1634786 -0.0075209 -1.5991000 0.0411316 -0.2995602 0.0629199 -1.8992077 36 O -1.1740451 -0.4415523 0.2376571 -0.4632934 -2.2179489 0.5780762 0.2018824 0.4623268 -2.0254654 37 O -1.8258086 -0.0468627 -0.1697944 -0.0066708 -1.5896840 0.0504265 -0.3045432 0.0697384 -1.9066581 38 O -2.0673898 0.1451128 0.0182243 0.1107325 -1.7637323 -0.0144374 0.0620200 -0.0636633 -1.5982051 39 O -1.1883916 -0.4617443 0.2161540 -0.4642353 -2.1767046 0.5669238 0.1641429 0.4237087 -2.0679388 40 O -2.9765027 -0.0138212 -0.3304640 0.0006224 -0.9717822 0.0250711 -0.1916089 0.0488813 -1.5555199 41 O -1.7044275 0.0690312 -0.2340371 0.0786777 -1.7301396 0.0902078 -0.1878756 0.1657250 -1.9037315 42 O -1.2083584 0.4171957 0.2074212 0.3279364 -2.2160047 -0.6853773 0.1104106 -0.5633589 -1.8935359 43 O -2.9765027 0.0138212 -0.3304640 -0.0006224 -0.9717822 -0.0250711 -0.1916089 -0.0488813 -1.5555199 44 O -1.5604931 0.3116134 0.3968299 0.3340440 -2.2663714 -0.6620812 0.3838861 -0.5605795 -1.6175881 45 O -1.5960841 0.0867744 0.0928985 0.1288731 -1.5700079 0.1138979 0.1537892 0.1734732 -2.2365848 46 O -1.1848015 0.4061565 0.2019745 0.3274104 -2.2381074 -0.6988282 0.1085113 -0.5735624 -1.8907549 47 O -1.6975708 0.1079756 -0.2219277 0.1058390 -1.7224286 0.1101700 -0.1689835 0.1847349 -1.9060438 48 O -2.0587431 -0.1959652 0.0241309 -0.1534445 -1.7664341 0.0078136 0.0673636 0.0564953 -1.6132109 49 O -1.6030899 -0.0929751 0.0884352 -0.1138646 -1.5639182 -0.1562070 0.1518777 -0.2406994 -2.2314433 50 O -1.6154073 0.2732424 0.4040399 0.3071737 -2.2205049 -0.6651576 0.3843291 -0.5572042 -1.6073149 51 O -1.1883916 0.4617443 0.2161540 0.4642353 -2.1767046 -0.5669238 0.1641429 -0.4237087 -2.0679388 52 O -1.5960841 -0.0867744 0.0928985 -0.1288731 -1.5700079 -0.1138979 0.1537892 -0.1734732 -2.2365848 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 4 11 4 ] 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: 0.44, Number of G-points: 297, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.529 ( 0.000 0.000 0.000) 0.000 1.654 ( 0.000 0.000 0.000) 0.000 1.715 ( 0.000 0.000 0.000) 0.000 1.722 ( 0.000 0.000 0.000) 0.000 1.889 ( 0.000 0.000 0.000) 0.000 1.891 ( 0.000 0.000 0.000) 0.000 1.994 ( 0.000 0.000 0.000) 0.000 2.036 ( 0.000 0.000 0.000) 0.000 2.062 ( 0.000 0.000 0.000) 0.000 2.116 ( 0.000 0.000 0.000) 0.000 2.167 ( 0.000 0.000 0.000) 0.000 2.295 ( 0.000 0.000 0.000) 0.000 2.316 ( 0.000 0.000 0.000) 0.000 2.610 ( 0.000 0.000 0.000) 0.000 2.654 ( 0.000 0.000 0.000) 0.000 2.700 ( 0.000 0.000 0.000) 0.000 2.743 ( 0.000 0.000 0.000) 0.000 2.826 ( 0.000 0.000 0.000) 0.000 2.840 ( 0.000 0.000 0.000) 0.000 2.884 ( 0.000 0.000 0.000) 0.000 2.938 ( 0.000 0.000 0.000) 0.000 3.014 ( 0.000 0.000 0.000) 0.000 3.054 ( 0.000 0.000 0.000) 0.000 3.093 ( 0.000 0.000 0.000) 0.000 3.185 ( 0.000 0.000 0.000) 0.000 3.255 ( 0.000 0.000 0.000) 0.000 3.259 ( 0.000 0.000 0.000) 0.000 3.368 ( 0.000 0.000 0.000) 0.000 3.476 ( 0.000 0.000 0.000) 0.000 3.520 ( 0.000 0.000 0.000) 0.000 3.605 ( 0.000 0.000 0.000) 0.000 3.649 ( 0.000 0.000 0.000) 0.000 3.830 ( 0.000 0.000 0.000) 0.000 3.851 ( 0.000 0.000 0.000) 0.000 4.123 ( 0.000 0.000 0.000) 0.000 4.335 ( 0.000 0.000 0.000) 0.000 4.539 ( 0.000 0.000 0.000) 0.000 4.588 ( 0.000 0.000 0.000) 0.000 4.681 ( 0.000 0.000 0.000) 0.000 4.693 ( 0.000 0.000 0.000) 0.000 4.789 ( 0.000 0.000 0.000) 0.000 4.892 ( 0.000 0.000 0.000) 0.000 5.019 ( 0.000 0.000 0.000) 0.000 5.290 ( 0.000 0.000 0.000) 0.000 5.355 ( 0.000 0.000 0.000) 0.000 5.528 ( 0.000 0.000 0.000) 0.000 5.545 ( 0.000 0.000 0.000) 0.000 5.924 ( 0.000 0.000 0.000) 0.000 6.039 ( 0.000 0.000 0.000) 0.000 6.128 ( 0.000 0.000 0.000) 0.000 6.210 ( 0.000 0.000 0.000) 0.000 6.349 ( 0.000 0.000 0.000) 0.000 6.495 ( 0.000 0.000 0.000) 0.000 6.690 ( 0.000 0.000 0.000) 0.000 6.737 ( 0.000 0.000 0.000) 0.000 7.052 ( 0.000 0.000 0.000) 0.000 7.326 ( 0.000 0.000 0.000) 0.000 7.420 ( 0.000 0.000 0.000) 0.000 7.455 ( 0.000 0.000 0.000) 0.000 7.821 ( 0.000 0.000 0.000) 0.000 7.951 ( 0.000 0.000 0.000) 0.000 8.030 ( 0.000 0.000 0.000) 0.000 8.246 ( 0.000 0.000 0.000) 0.000 8.273 ( 0.000 0.000 0.000) 0.000 8.485 ( 0.000 0.000 0.000) 0.000 8.710 ( 0.000 0.000 0.000) 0.000 8.915 ( 0.000 0.000 0.000) 0.000 8.922 ( 0.000 0.000 0.000) 0.000 9.001 ( 0.000 0.000 0.000) 0.000 9.221 ( 0.000 0.000 0.000) 0.000 9.462 ( 0.000 0.000 0.000) 0.000 9.584 ( 0.000 0.000 0.000) 0.000 9.619 ( 0.000 0.000 0.000) 0.000 10.056 ( 0.000 0.000 0.000) 0.000 10.065 ( 0.000 0.000 0.000) 0.000 10.402 ( 0.000 0.000 0.000) 0.000 10.463 ( 0.000 0.000 0.000) 0.000 10.996 ( 0.000 0.000 0.000) 0.000 11.022 ( 0.000 0.000 0.000) 0.000 11.083 ( 0.000 0.000 0.000) 0.000 11.197 ( 0.000 0.000 0.000) 0.000 11.250 ( 0.000 0.000 0.000) 0.000 11.421 ( 0.000 0.000 0.000) 0.000 12.216 ( 0.000 0.000 0.000) 0.000 12.322 ( 0.000 0.000 0.000) 0.000 12.370 ( 0.000 0.000 0.000) 0.000 12.448 ( 0.000 0.000 0.000) 0.000 12.950 ( 0.000 0.000 0.000) 0.000 12.955 ( 0.000 0.000 0.000) 0.000 13.093 ( 0.000 0.000 0.000) 0.000 13.248 ( 0.000 0.000 0.000) 0.000 13.391 ( 0.000 0.000 0.000) 0.000 13.418 ( 0.000 0.000 0.000) 0.000 13.684 ( 0.000 0.000 0.000) 0.000 13.703 ( 0.000 0.000 0.000) 0.000 14.118 ( 0.000 0.000 0.000) 0.000 14.135 ( 0.000 0.000 0.000) 0.000 14.452 ( 0.000 0.000 0.000) 0.000 14.470 ( 0.000 0.000 0.000) 0.000 14.613 ( 0.000 0.000 0.000) 0.000 14.728 ( 0.000 0.000 0.000) 0.000 15.158 ( 0.000 0.000 0.000) 0.000 15.207 ( 0.000 0.000 0.000) 0.000 15.234 ( 0.000 0.000 0.000) 0.000 15.394 ( 0.000 0.000 0.000) 0.000 15.646 ( 0.000 0.000 0.000) 0.000 15.727 ( 0.000 0.000 0.000) 0.000 17.053 ( 0.000 0.000 0.000) 0.000 17.054 ( 0.000 0.000 0.000) 0.000 18.150 ( 0.000 0.000 0.000) 0.000 18.336 ( 0.000 0.000 0.000) 0.000 20.509 ( 0.000 0.000 0.000) 0.000 20.561 ( 0.000 0.000 0.000) 0.000 21.498 ( 0.000 0.000 0.000) 0.000 21.522 ( 0.000 0.000 0.000) 0.000 21.697 ( 0.000 0.000 0.000) 0.000 21.714 ( 0.000 0.000 0.000) 0.000 21.908 ( 0.000 0.000 0.000) 0.000 21.944 ( 0.000 0.000 0.000) 0.000 22.199 ( 0.000 0.000 0.000) 0.000 22.369 ( 0.000 0.000 0.000) 0.000 27.051 ( 0.000 0.000 0.000) 0.000 27.104 ( 0.000 0.000 0.000) 0.000 27.203 ( 0.000 0.000 0.000) 0.000 27.275 ( 0.000 0.000 0.000) 0.000 27.300 ( 0.000 0.000 0.000) 0.000 27.371 ( 0.000 0.000 0.000) 0.000 27.372 ( 0.000 0.000 0.000) 0.000 27.476 ( 0.000 0.000 0.000) 0.000 28.677 ( 0.000 0.000 0.000) 0.000 28.692 ( 0.000 0.000 0.000) 0.000 28.725 ( 0.000 0.000 0.000) 0.000 28.834 ( 0.000 0.000 0.000) 0.000 29.355 ( 0.000 0.000 0.000) 0.000 29.463 ( 0.000 0.000 0.000) 0.000 29.559 ( 0.000 0.000 0.000) 0.000 29.657 ( 0.000 0.000 0.000) 0.000 29.814 ( 0.000 0.000 0.000) 0.000 29.851 ( 0.000 0.000 0.000) 0.000 29.877 ( 0.000 0.000 0.000) 0.000 29.956 ( 0.000 0.000 0.000) 0.000 30.751 ( 0.000 0.000 0.000) 0.000 30.843 ( 0.000 0.000 0.000) 0.000 30.888 ( 0.000 0.000 0.000) 0.000 30.950 ( 0.000 0.000 0.000) 0.000 31.131 ( 0.000 0.000 0.000) 0.000 31.283 ( 0.000 0.000 0.000) 0.000 31.337 ( 0.000 0.000 0.000) 0.000 31.739 ( 0.000 0.000 0.000) 0.000 32.129 ( 0.000 0.000 0.000) 0.000 32.209 ( 0.000 0.000 0.000) 0.000 32.253 ( 0.000 0.000 0.000) 0.000 33.983 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.533 ( 26.967 0.000 -10.707) 29.014 0.586 ( 27.493 0.000 2.788) 27.634 1.022 ( 46.835 0.000 9.986) 47.888 1.398 ( -9.909 0.000 -2.407) 10.197 1.578 ( -20.491 0.000 6.365) 21.457 1.665 ( 0.037 0.000 -6.582) 6.582 1.733 ( 2.569 0.000 10.068) 10.390 1.799 ( 3.567 0.000 -13.984) 14.432 1.902 ( -0.556 0.000 7.858) 7.878 2.014 ( 0.752 0.000 -1.745) 1.900 2.040 ( -3.698 0.000 12.554) 13.087 2.063 ( 2.346 0.000 -9.330) 9.620 2.089 ( -2.244 0.000 -1.499) 2.698 2.171 ( -6.556 0.000 4.388) 7.889 2.317 ( 0.193 0.000 -2.124) 2.133 2.385 ( 4.313 0.000 -4.125) 5.968 2.408 ( -5.773 0.000 -4.598) 7.380 2.601 ( -7.299 0.000 -2.207) 7.626 2.682 ( -4.585 0.000 -0.457) 4.608 2.722 ( -6.412 0.000 0.782) 6.459 2.805 ( -10.942 0.000 -1.972) 11.118 2.868 ( -0.928 0.000 2.000) 2.205 2.900 ( -2.895 0.000 -1.070) 3.087 3.000 ( -0.258 0.000 0.921) 0.957 3.026 ( 0.860 0.000 -0.848) 1.208 3.062 ( 3.773 0.000 2.120) 4.328 3.119 ( 0.709 0.000 3.239) 3.315 3.156 ( -4.069 0.000 2.504) 4.777 3.185 ( -0.434 0.000 0.103) 0.446 3.300 ( 3.764 0.000 0.982) 3.890 3.383 ( 2.677 0.000 1.083) 2.888 3.472 ( -1.009 0.000 3.811) 3.942 3.508 ( 1.425 0.000 -3.695) 3.960 3.665 ( -0.174 0.000 -3.434) 3.438 3.714 ( -2.763 0.000 3.760) 4.666 3.857 ( 1.803 0.000 -1.431) 2.302 4.005 ( 5.546 0.000 11.657) 12.909 4.222 ( 5.245 0.000 -4.181) 6.707 4.395 ( -6.090 0.000 -4.245) 7.423 4.420 ( 4.683 0.000 2.125) 5.142 4.593 ( -0.429 0.000 -1.443) 1.505 4.680 ( -3.051 0.000 -5.665) 6.434 4.752 ( 3.432 0.000 6.010) 6.921 4.901 ( 3.147 0.000 -2.983) 4.336 5.118 ( 4.290 0.000 -10.359) 11.212 5.262 ( 13.118 0.000 -3.967) 13.705 5.327 ( 3.209 0.000 2.855) 4.295 5.434 ( -4.578 0.000 11.045) 11.956 5.526 ( 3.976 0.000 -5.362) 6.675 5.852 ( -0.767 0.000 9.579) 9.610 5.946 ( -11.647 0.000 5.552) 12.903 6.032 ( 0.837 0.000 8.648) 8.688 6.134 ( 0.543 0.000 -0.578) 0.793 6.299 ( -1.533 0.000 -0.333) 1.569 6.363 ( 1.153 0.000 -2.762) 2.993 6.503 ( -1.186 0.000 -1.748) 2.112 6.736 ( 4.093 0.000 -1.322) 4.301 6.784 ( 0.436 0.000 -3.165) 3.195 7.035 ( -1.950 0.000 0.964) 2.175 7.250 ( -5.504 0.000 1.068) 5.606 7.294 ( -8.745 0.000 2.262) 9.033 7.466 ( -0.208 0.000 -2.054) 2.065 7.862 ( 1.993 0.000 -1.070) 2.262 7.938 ( -1.473 0.000 1.893) 2.399 8.088 ( 3.612 0.000 -1.602) 3.951 8.275 ( -0.173 0.000 0.475) 0.506 8.330 ( 8.843 0.000 -0.627) 8.865 8.505 ( 1.504 0.000 1.324) 2.004 8.693 ( -1.290 0.000 -3.180) 3.432 8.833 ( -8.551 0.000 -1.362) 8.659 8.876 ( -3.265 0.000 1.514) 3.600 9.014 ( -0.418 0.000 0.658) 0.780 9.220 ( 0.213 0.000 -2.656) 2.665 9.421 ( -3.428 0.000 1.810) 3.876 9.578 ( 0.005 0.000 0.191) 0.191 9.680 ( 2.339 0.000 1.946) 3.043 10.068 ( 0.914 0.000 0.572) 1.078 10.105 ( 2.632 0.000 -0.226) 2.642 10.412 ( 0.844 0.000 -0.674) 1.080 10.440 ( -1.874 0.000 -0.917) 2.086 10.953 ( -3.417 0.000 -1.466) 3.718 11.030 ( -3.117 0.000 1.628) 3.516 11.092 ( 2.278 0.000 0.102) 2.281 11.159 ( -1.015 0.000 0.216) 1.038 11.298 ( 2.041 0.000 2.924) 3.566 11.543 ( 7.308 0.000 -2.614) 7.761 12.160 ( -4.116 0.000 -1.111) 4.263 12.327 ( -0.133 0.000 2.331) 2.335 12.421 ( 4.189 0.000 1.160) 4.347 12.563 ( -0.446 0.000 -8.198) 8.210 12.960 ( 0.807 0.000 -1.077) 1.346 13.030 ( -4.465 0.000 3.307) 5.556 13.157 ( -4.458 0.000 3.478) 5.654 13.320 ( -3.017 0.000 -10.155) 10.594 13.476 ( 3.958 0.000 2.307) 4.581 13.585 ( 12.329 0.000 -3.175) 12.731 13.706 ( 1.264 0.000 0.759) 1.475 13.726 ( 0.202 0.000 -1.551) 1.564 14.086 ( -3.097 0.000 1.607) 3.489 14.131 ( -0.452 0.000 -1.362) 1.435 14.478 ( 0.607 0.000 0.428) 0.743 14.586 ( -0.593 0.000 -1.331) 1.457 14.699 ( -2.294 0.000 0.308) 2.315 14.957 ( -0.616 0.000 -0.115) 0.627 15.165 ( 0.389 0.000 1.290) 1.348 15.233 ( -0.009 0.000 0.891) 0.891 15.270 ( 1.509 0.000 -17.118) 17.184 15.368 ( -1.787 0.000 -0.060) 1.788 15.670 ( 1.717 0.000 -0.227) 1.732 15.735 ( 0.737 0.000 -0.876) 1.144 17.155 ( 8.634 0.000 -2.152) 8.898 17.250 ( -0.417 0.000 1.104) 1.180 18.141 ( -0.703 0.000 0.597) 0.922 18.243 ( -7.877 0.000 0.537) 7.896 20.562 ( 4.332 0.000 -1.025) 4.451 20.621 ( 0.339 0.000 5.196) 5.207 21.482 ( -1.286 0.000 -0.784) 1.506 21.532 ( 0.472 0.000 1.530) 1.601 21.687 ( -1.866 0.000 -2.508) 3.126 21.717 ( -2.568 0.000 -3.598) 4.420 21.849 ( -1.550 0.000 -0.879) 1.782 22.010 ( 2.645 0.000 0.625) 2.718 22.201 ( 0.153 0.000 -0.848) 0.862 22.359 ( -0.812 0.000 -0.018) 0.813 27.026 ( -1.435 0.000 -0.835) 1.661 27.128 ( -1.709 0.000 -1.276) 2.133 27.139 ( -1.052 0.000 -0.643) 1.233 27.300 ( 0.007 0.000 -0.241) 0.241 27.328 ( -0.046 0.000 -1.969) 1.969 27.377 ( 0.200 0.000 -0.252) 0.321 27.390 ( -0.063 0.000 0.080) 0.102 27.539 ( 3.924 0.000 2.337) 4.568 28.682 ( 0.017 0.000 -0.425) 0.426 28.694 ( 0.085 0.000 0.174) 0.194 28.839 ( 0.183 0.000 1.725) 1.735 29.188 ( -2.258 0.000 5.849) 6.270 29.367 ( 1.091 0.000 -0.620) 1.255 29.500 ( 2.904 0.000 2.100) 3.584 29.553 ( -0.872 0.000 -2.215) 2.381 29.632 ( -2.655 0.000 -4.669) 5.372 29.777 ( -3.523 0.000 0.648) 3.582 29.915 ( 2.044 0.000 0.194) 2.053 30.013 ( 4.983 0.000 3.452) 6.062 30.263 ( -5.051 0.000 4.660) 6.872 30.843 ( -0.302 0.000 0.784) 0.840 30.857 ( 1.181 0.000 0.285) 1.215 31.021 ( -0.183 0.000 0.810) 0.830 31.090 ( -2.541 0.000 -2.435) 3.519 31.262 ( 1.369 0.000 2.689) 3.017 31.344 ( 4.993 0.000 -2.237) 5.471 31.607 ( 0.924 0.000 -58.215) 58.223 31.741 ( -0.245 0.000 -5.823) 5.828 32.266 ( 1.301 0.000 -2.399) 2.729 32.274 ( 11.384 0.000 3.935) 12.045 32.834 ( -4.418 0.000 58.221) 58.388 33.862 ( -10.025 0.000 -1.890) 10.202 ======================= Grid point 2 (3/60) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( 0.000 0.000 -0.000) 0.000 1.045 ( 0.000 0.000 -0.000) 0.000 1.095 ( 0.000 0.000 -0.000) 0.000 1.177 ( 0.000 0.000 -0.000) 0.000 1.671 ( 0.000 0.000 0.000) 0.000 1.754 ( 0.000 0.000 0.000) 0.000 1.828 ( 0.000 0.000 -0.000) 0.000 1.907 ( 0.000 0.000 0.000) 0.000 1.927 ( 0.000 0.000 -0.000) 0.000 1.939 ( -0.000 0.000 0.000) 0.000 2.006 ( 0.000 0.000 0.000) 0.000 2.013 ( -0.000 0.000 -0.000) 0.000 2.103 ( -0.000 0.000 -0.000) 0.000 2.123 ( 0.000 0.000 0.000) 0.000 2.130 ( 0.000 0.000 0.000) 0.000 2.299 ( 0.000 0.000 -0.000) 0.000 2.320 ( 0.000 0.000 0.000) 0.000 2.561 ( 0.000 0.000 -0.000) 0.000 2.579 ( 0.000 0.000 0.000) 0.000 2.637 ( 0.000 0.000 -0.000) 0.000 2.738 ( 0.000 0.000 -0.000) 0.000 2.802 ( 0.000 0.000 -0.000) 0.000 2.903 ( 0.000 0.000 0.000) 0.000 2.990 ( 0.000 0.000 0.000) 0.000 3.037 ( 0.000 0.000 0.000) 0.000 3.087 ( 0.000 0.000 0.000) 0.000 3.103 ( 0.000 0.000 0.000) 0.000 3.166 ( 0.000 0.000 0.000) 0.000 3.194 ( 0.000 0.000 -0.000) 0.000 3.354 ( 0.000 0.000 0.000) 0.000 3.420 ( 0.000 0.000 0.000) 0.000 3.459 ( 0.000 0.000 -0.000) 0.000 3.570 ( 0.000 0.000 0.000) 0.000 3.653 ( 0.000 0.000 0.000) 0.000 3.684 ( 0.000 0.000 -0.000) 0.000 3.871 ( 0.000 0.000 0.000) 0.000 4.116 ( 0.000 0.000 -0.000) 0.000 4.153 ( 0.000 0.000 0.000) 0.000 4.405 ( 0.000 0.000 0.000) 0.000 4.468 ( 0.000 0.000 -0.000) 0.000 4.606 ( 0.000 0.000 0.000) 0.000 4.634 ( 0.000 0.000 -0.000) 0.000 4.804 ( 0.000 0.000 0.000) 0.000 4.896 ( 0.000 0.000 0.000) 0.000 5.192 ( 0.000 0.000 0.000) 0.000 5.362 ( 0.000 0.000 -0.000) 0.000 5.364 ( -0.000 0.000 0.000) 0.000 5.477 ( 0.000 0.000 0.000) 0.000 5.624 ( 0.000 0.000 -0.000) 0.000 5.700 ( 0.000 0.000 -0.000) 0.000 5.858 ( 0.000 0.000 0.000) 0.000 6.074 ( 0.000 0.000 0.000) 0.000 6.121 ( 0.000 0.000 0.000) 0.000 6.280 ( 0.000 0.000 0.000) 0.000 6.382 ( 0.000 0.000 0.000) 0.000 6.477 ( 0.000 0.000 -0.000) 0.000 6.785 ( 0.000 0.000 -0.000) 0.000 6.806 ( 0.000 0.000 0.000) 0.000 7.010 ( 0.000 0.000 0.000) 0.000 7.131 ( 0.000 0.000 0.000) 0.000 7.231 ( 0.000 0.000 0.000) 0.000 7.460 ( 0.000 0.000 0.000) 0.000 7.879 ( 0.000 0.000 0.000) 0.000 7.918 ( 0.000 0.000 -0.000) 0.000 8.124 ( 0.000 0.000 0.000) 0.000 8.271 ( 0.000 0.000 0.000) 0.000 8.518 ( 0.000 0.000 -0.000) 0.000 8.529 ( 0.000 0.000 0.000) 0.000 8.650 ( 0.000 0.000 0.000) 0.000 8.675 ( 0.000 0.000 0.000) 0.000 8.842 ( 0.000 0.000 0.000) 0.000 9.004 ( 0.000 0.000 0.000) 0.000 9.222 ( 0.000 0.000 0.000) 0.000 9.380 ( 0.000 0.000 0.000) 0.000 9.581 ( 0.000 0.000 0.000) 0.000 9.713 ( 0.000 0.000 -0.000) 0.000 10.081 ( 0.000 0.000 0.000) 0.000 10.134 ( 0.000 0.000 -0.000) 0.000 10.415 ( 0.000 0.000 -0.000) 0.000 10.425 ( 0.000 0.000 0.000) 0.000 10.906 ( 0.000 0.000 -0.000) 0.000 10.980 ( 0.000 0.000 0.000) 0.000 11.122 ( 0.000 0.000 0.000) 0.000 11.169 ( 0.000 0.000 0.000) 0.000 11.325 ( 0.000 0.000 0.000) 0.000 11.622 ( 0.000 0.000 0.000) 0.000 12.108 ( 0.000 0.000 0.000) 0.000 12.326 ( 0.000 0.000 0.000) 0.000 12.508 ( 0.000 0.000 0.000) 0.000 12.517 ( -0.000 0.000 -0.000) 0.000 12.977 ( -0.000 0.000 0.000) 0.000 12.979 ( 0.000 0.000 -0.000) 0.000 13.110 ( 0.000 0.000 0.000) 0.000 13.272 ( 0.000 0.000 0.000) 0.000 13.528 ( 0.000 0.000 0.000) 0.000 13.717 ( 0.000 0.000 0.000) 0.000 13.726 ( 0.000 0.000 -0.000) 0.000 13.738 ( 0.000 0.000 0.000) 0.000 14.038 ( 0.000 0.000 0.000) 0.000 14.123 ( 0.000 0.000 -0.000) 0.000 14.486 ( 0.000 0.000 0.000) 0.000 14.578 ( 0.000 0.000 -0.000) 0.000 14.670 ( 0.000 0.000 0.000) 0.000 14.950 ( 0.000 0.000 -0.000) 0.000 15.170 ( 0.000 0.000 0.000) 0.000 15.232 ( 0.000 0.000 0.000) 0.000 15.276 ( 0.000 0.000 0.000) 0.000 15.348 ( 0.000 0.000 0.000) 0.000 15.690 ( 0.000 0.000 0.000) 0.000 15.744 ( 0.000 0.000 0.000) 0.000 17.245 ( 0.000 0.000 -0.000) 0.000 17.274 ( 0.000 0.000 0.000) 0.000 18.132 ( 0.000 0.000 0.000) 0.000 18.133 ( 0.000 0.000 0.000) 0.000 20.620 ( 0.000 0.000 0.000) 0.000 20.628 ( 0.000 0.000 -0.000) 0.000 21.462 ( 0.000 0.000 0.000) 0.000 21.536 ( 0.000 0.000 -0.000) 0.000 21.664 ( 0.000 0.000 0.000) 0.000 21.680 ( 0.000 0.000 -0.000) 0.000 21.840 ( 0.000 0.000 0.000) 0.000 22.037 ( 0.000 0.000 -0.000) 0.000 22.203 ( 0.000 0.000 0.000) 0.000 22.348 ( 0.000 0.000 0.000) 0.000 27.010 ( 0.000 0.000 0.000) 0.000 27.083 ( 0.000 0.000 0.000) 0.000 27.152 ( 0.000 0.000 0.000) 0.000 27.300 ( 0.000 0.000 -0.000) 0.000 27.326 ( 0.000 0.000 -0.000) 0.000 27.379 ( 0.000 0.000 0.000) 0.000 27.389 ( 0.000 0.000 -0.000) 0.000 27.584 ( 0.000 0.000 0.000) 0.000 28.682 ( 0.000 0.000 0.000) 0.000 28.695 ( 0.000 0.000 -0.000) 0.000 28.842 ( 0.000 0.000 0.000) 0.000 29.166 ( 0.000 0.000 -0.000) 0.000 29.387 ( 0.000 0.000 0.000) 0.000 29.528 ( 0.000 0.000 0.000) 0.000 29.561 ( -0.000 0.000 -0.000) 0.000 29.574 ( 0.000 0.000 0.000) 0.000 29.740 ( 0.000 0.000 0.000) 0.000 29.937 ( 0.000 0.000 0.000) 0.000 30.123 ( 0.000 0.000 -0.000) 0.000 30.158 ( 0.000 0.000 0.000) 0.000 30.864 ( 0.000 0.000 0.000) 0.000 30.874 ( 0.000 0.000 -0.000) 0.000 30.973 ( 0.000 0.000 0.000) 0.000 31.057 ( 0.000 0.000 0.000) 0.000 31.311 ( 0.000 0.000 0.000) 0.000 31.412 ( 0.000 0.000 -0.000) 0.000 31.562 ( 0.000 0.000 0.000) 0.000 31.726 ( 0.000 0.000 0.000) 0.000 32.280 ( 0.000 0.000 -0.000) 0.000 32.434 ( 0.000 0.000 -0.000) 0.000 32.825 ( 0.000 0.000 0.000) 0.000 33.721 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 5 (4/60) ======================= q-point: ( 0.00 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.420 ( 0.000 22.802 0.000) 22.802 0.575 ( 0.000 29.094 0.000) 29.094 0.972 ( 0.000 47.493 0.000) 47.493 1.658 ( 0.000 8.185 0.000) 8.185 1.736 ( 0.000 6.008 0.000) 6.008 1.783 ( 0.000 4.343 0.000) 4.343 1.829 ( 0.000 7.298 0.000) 7.298 1.899 ( 0.000 1.701 0.000) 1.701 1.931 ( 0.000 5.672 0.000) 5.672 2.029 ( 0.000 0.987 0.000) 0.987 2.039 ( 0.000 2.004 0.000) 2.004 2.146 ( 0.000 2.689 0.000) 2.689 2.194 ( 0.000 11.134 0.000) 11.134 2.228 ( 0.000 5.028 0.000) 5.028 2.325 ( 0.000 2.407 0.000) 2.407 2.364 ( 0.000 5.170 0.000) 5.170 2.642 ( 0.000 0.952 0.000) 0.952 2.658 ( 0.000 -1.253 0.000) 1.253 2.699 ( 0.000 -1.840 0.000) 1.840 2.800 ( 0.000 -2.217 0.000) 2.217 2.840 ( 0.000 3.149 0.000) 3.149 2.903 ( 0.000 2.392 0.000) 2.392 2.969 ( 0.000 11.536 0.000) 11.536 3.097 ( 0.000 0.333 0.000) 0.333 3.105 ( 0.000 5.382 0.000) 5.382 3.169 ( 0.000 14.342 0.000) 14.342 3.206 ( 0.000 7.251 0.000) 7.251 3.304 ( 0.000 7.723 0.000) 7.723 3.314 ( 0.000 8.740 0.000) 8.740 3.411 ( 0.000 6.721 0.000) 6.721 3.452 ( 0.000 0.274 0.000) 0.274 3.570 ( 0.000 5.103 0.000) 5.103 3.579 ( 0.000 -5.265 0.000) 5.265 3.644 ( 0.000 5.072 0.000) 5.072 3.830 ( 0.000 1.244 0.000) 1.244 3.894 ( 0.000 5.742 0.000) 5.742 4.064 ( 0.000 -1.492 0.000) 1.492 4.201 ( 0.000 -1.822 0.000) 1.822 4.262 ( 0.000 -2.417 0.000) 2.417 4.492 ( 0.000 -0.849 0.000) 0.849 4.565 ( 0.000 -2.535 0.000) 2.535 4.701 ( 0.000 0.217 0.000) 0.217 4.716 ( 0.000 0.398 0.000) 0.398 4.793 ( 0.000 0.979 0.000) 0.979 4.916 ( 0.000 2.643 0.000) 2.643 5.015 ( 0.000 -0.251 0.000) 0.251 5.286 ( 0.000 0.441 0.000) 0.441 5.345 ( 0.000 -0.512 0.000) 0.512 5.551 ( 0.000 -0.218 0.000) 0.218 5.559 ( 0.000 0.925 0.000) 0.925 5.916 ( 0.000 -0.600 0.000) 0.600 6.070 ( 0.000 -2.433 0.000) 2.433 6.159 ( 0.000 -2.006 0.000) 2.006 6.204 ( 0.000 -0.130 0.000) 0.130 6.416 ( 0.000 3.570 0.000) 3.570 6.473 ( 0.000 -0.895 0.000) 0.895 6.779 ( 0.000 2.891 0.000) 2.891 6.829 ( 0.000 -0.086 0.000) 0.086 7.192 ( 0.000 10.938 0.000) 10.938 7.345 ( 0.000 2.486 0.000) 2.486 7.449 ( 0.000 0.394 0.000) 0.394 7.495 ( 0.000 6.313 0.000) 6.313 7.905 ( 0.000 6.470 0.000) 6.470 7.960 ( 0.000 0.960 0.000) 0.960 8.109 ( 0.000 7.219 0.000) 7.219 8.262 ( 0.000 -1.040 0.000) 1.040 8.370 ( 0.000 11.763 0.000) 11.763 8.495 ( 0.000 1.720 0.000) 1.720 8.750 ( 0.000 1.460 0.000) 1.460 8.861 ( 0.000 -3.216 0.000) 3.216 8.943 ( 0.000 -7.589 0.000) 7.589 9.018 ( 0.000 3.320 0.000) 3.320 9.292 ( 0.000 6.731 0.000) 6.731 9.319 ( 0.000 -6.706 0.000) 6.706 9.616 ( 0.000 -0.167 0.000) 0.167 9.701 ( 0.000 6.340 0.000) 6.340 10.104 ( 0.000 2.316 0.000) 2.316 10.165 ( 0.000 8.325 0.000) 8.325 10.423 ( 0.000 -1.072 0.000) 1.072 10.455 ( 0.000 -0.465 0.000) 0.465 11.028 ( 0.000 -1.179 0.000) 1.179 11.098 ( 0.000 7.105 0.000) 7.105 11.173 ( 0.000 6.544 0.000) 6.544 11.231 ( 0.000 2.958 0.000) 2.958 11.384 ( 0.000 2.199 0.000) 2.199 11.427 ( 0.000 1.188 0.000) 1.188 12.170 ( 0.000 -3.757 0.000) 3.757 12.210 ( 0.000 -7.837 0.000) 7.837 12.477 ( 0.000 1.618 0.000) 1.618 12.542 ( 0.000 5.618 0.000) 5.618 12.923 ( 0.000 -2.592 0.000) 2.592 13.014 ( 0.000 -3.001 0.000) 3.001 13.171 ( 0.000 -0.729 0.000) 0.729 13.240 ( 0.000 -1.384 0.000) 1.384 13.323 ( 0.000 -8.337 0.000) 8.337 13.597 ( 0.000 -0.973 0.000) 0.973 13.688 ( 0.000 -2.286 0.000) 2.286 13.984 ( 0.000 -6.459 0.000) 6.459 14.086 ( 0.000 -3.959 0.000) 3.959 14.145 ( 0.000 -7.215 0.000) 7.215 14.352 ( 0.000 -8.695 0.000) 8.695 14.540 ( 0.000 -8.975 0.000) 8.975 14.592 ( 0.000 -3.261 0.000) 3.261 14.820 ( 0.000 -13.019 0.000) 13.019 15.064 ( 0.000 -14.086 0.000) 14.086 15.138 ( 0.000 -12.170 0.000) 12.170 15.158 ( 0.000 -14.936 0.000) 14.936 15.289 ( 0.000 -14.657 0.000) 14.657 15.746 ( 0.000 12.600 0.000) 12.600 16.182 ( 0.000 21.299 0.000) 21.299 17.152 ( 0.000 10.100 0.000) 10.100 17.230 ( 0.000 4.216 0.000) 4.216 18.302 ( 0.000 13.077 0.000) 13.077 18.455 ( 0.000 12.066 0.000) 12.066 20.407 ( 0.000 -13.162 0.000) 13.162 20.463 ( 0.000 -12.038 0.000) 12.038 21.411 ( 0.000 -6.540 0.000) 6.540 21.458 ( 0.000 -7.329 0.000) 7.329 21.709 ( 0.000 1.202 0.000) 1.202 21.738 ( 0.000 1.499 0.000) 1.499 21.997 ( 0.000 8.005 0.000) 8.005 22.119 ( 0.000 11.233 0.000) 11.233 22.328 ( 0.000 11.630 0.000) 11.630 22.483 ( 0.000 10.446 0.000) 10.446 27.079 ( 0.000 -0.385 0.000) 0.385 27.095 ( 0.000 4.379 0.000) 4.379 27.141 ( 0.000 0.595 0.000) 0.595 27.370 ( 0.000 4.264 0.000) 4.264 27.486 ( 0.000 14.781 0.000) 14.781 27.582 ( 0.000 11.445 0.000) 11.445 27.590 ( 0.000 18.359 0.000) 18.359 28.098 ( 0.000 6.302 0.000) 6.302 28.743 ( 0.000 4.850 0.000) 4.850 28.784 ( 0.000 7.503 0.000) 7.503 28.879 ( 0.000 4.555 0.000) 4.555 29.356 ( 0.000 0.091 0.000) 0.091 29.417 ( 0.000 0.366 0.000) 0.366 29.536 ( 0.000 -2.334 0.000) 2.334 29.651 ( 0.000 -0.705 0.000) 0.705 29.798 ( 0.000 -1.364 0.000) 1.364 29.839 ( 0.000 -4.610 0.000) 4.610 29.846 ( 0.000 -0.336 0.000) 0.336 29.903 ( 0.000 -0.636 0.000) 0.636 30.261 ( 0.000 1.508 0.000) 1.508 30.709 ( 0.000 -3.929 0.000) 3.929 30.809 ( 0.000 -3.472 0.000) 3.472 30.932 ( 0.000 -2.112 0.000) 2.112 31.005 ( 0.000 -3.353 0.000) 3.353 31.120 ( 0.000 -4.282 0.000) 4.282 31.205 ( 0.000 -7.221 0.000) 7.221 31.303 ( 0.000 -3.838 0.000) 3.838 31.667 ( 0.000 -8.433 0.000) 8.433 32.086 ( 0.000 -4.169 0.000) 4.169 32.175 ( 0.000 -3.374 0.000) 3.374 32.213 ( 0.000 -5.505 0.000) 5.505 33.765 ( 0.000 -21.175 0.000) 21.175 ======================= Grid point 6 (5/60) ======================= q-point: ( 0.25 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 17.038 17.234 -4.094) 24.578 0.820 ( 23.419 13.982 6.343) 28.003 1.307 ( 25.863 27.807 2.185) 38.038 1.528 ( -8.934 9.276 0.077) 12.879 1.621 ( -16.398 5.190 4.513) 17.782 1.728 ( -2.523 3.669 1.577) 4.724 1.831 ( 2.160 6.874 -8.281) 10.977 1.870 ( 1.170 6.707 -7.776) 10.335 1.939 ( 0.956 4.115 4.812) 6.403 2.026 ( 2.139 3.011 1.786) 4.103 2.077 ( -0.255 1.874 2.557) 3.181 2.127 ( -3.202 3.807 5.659) 7.535 2.139 ( -4.256 4.488 0.483) 6.204 2.252 ( -2.621 8.842 0.496) 9.235 2.354 ( 3.140 3.251 -4.828) 6.613 2.404 ( 2.978 1.422 -5.526) 6.437 2.494 ( -5.903 4.698 -2.506) 7.950 2.596 ( -4.712 0.150 0.605) 4.753 2.682 ( -4.307 2.612 -1.862) 5.371 2.739 ( -10.688 3.415 0.536) 11.233 2.836 ( 0.973 -1.435 -1.974) 2.628 2.951 ( -2.880 3.809 1.297) 4.949 3.002 ( -1.581 4.842 -0.170) 5.096 3.035 ( 2.016 4.277 1.710) 5.028 3.100 ( 3.448 5.883 -0.591) 6.844 3.114 ( -1.379 11.872 1.165) 12.008 3.214 ( 1.367 9.065 -2.255) 9.441 3.307 ( -0.442 5.783 1.042) 5.893 3.348 ( -1.013 12.535 1.632) 12.682 3.409 ( 2.518 1.775 3.512) 4.672 3.453 ( 0.164 1.854 -0.616) 1.960 3.507 ( -3.320 14.626 1.033) 15.033 3.565 ( -2.681 5.652 1.108) 6.353 3.659 ( 4.229 3.640 -1.307) 5.731 3.772 ( -3.991 8.104 4.313) 10.010 3.922 ( -0.874 4.623 2.912) 5.533 4.051 ( 2.298 5.904 2.049) 6.658 4.197 ( 2.333 -1.862 -2.418) 3.841 4.267 ( 5.023 -7.275 -4.606) 9.969 4.434 ( -1.750 -1.163 -0.280) 2.119 4.544 ( -2.935 -2.670 2.881) 4.903 4.650 ( -1.289 -0.765 -2.907) 3.270 4.746 ( 2.219 -1.850 3.719) 4.710 4.914 ( 0.881 -1.603 -4.686) 5.030 5.067 ( 8.919 -4.674 -4.347) 10.967 5.237 ( 12.773 0.017 -1.906) 12.914 5.298 ( 0.761 -2.880 3.413) 4.531 5.438 ( -2.387 0.518 3.557) 4.315 5.525 ( 0.641 0.433 -4.188) 4.259 5.633 ( 11.330 -13.011 7.334) 18.747 5.881 ( -2.245 -2.226 5.832) 6.634 5.973 ( -7.791 -1.679 -2.599) 8.383 6.141 ( -2.484 0.122 1.976) 3.177 6.277 ( 4.272 -1.305 -2.206) 4.982 6.409 ( 0.184 3.287 -2.402) 4.075 6.472 ( -1.136 -0.236 1.983) 2.297 6.747 ( -0.323 -0.887 1.908) 2.129 6.825 ( -0.232 3.844 -1.366) 4.086 7.141 ( -3.389 7.886 -1.419) 8.700 7.273 ( -7.873 2.423 1.751) 8.422 7.366 ( -3.124 6.439 1.586) 7.330 7.513 ( -0.002 4.837 -3.565) 6.009 7.932 ( 1.819 5.390 -0.734) 5.735 7.984 ( 0.868 4.515 -0.072) 4.598 8.146 ( 2.663 5.847 -0.484) 6.443 8.284 ( 0.901 0.781 1.791) 2.152 8.396 ( 3.949 5.146 0.034) 6.487 8.554 ( 3.888 4.591 -1.513) 6.203 8.712 ( -2.236 2.186 -1.675) 3.548 8.853 ( -2.893 -0.364 0.041) 2.916 8.875 ( -3.323 -3.949 -1.801) 5.467 8.956 ( -5.178 1.635 2.895) 6.153 9.276 ( -2.639 -6.170 2.300) 7.093 9.287 ( -0.117 3.115 -3.269) 4.517 9.595 ( 0.367 1.678 -0.734) 1.868 9.764 ( 2.815 6.620 1.862) 7.431 10.116 ( 1.324 1.339 -0.016) 1.883 10.165 ( -0.203 6.976 1.074) 7.061 10.412 ( -0.552 -0.365 0.413) 0.781 10.441 ( -1.016 0.057 -1.037) 1.453 10.960 ( -2.696 1.327 -3.651) 4.729 11.103 ( -3.862 1.765 2.136) 4.753 11.155 ( -0.211 6.924 0.386) 6.938 11.238 ( -0.846 6.801 0.302) 6.860 11.321 ( 2.820 5.191 1.438) 6.080 11.564 ( 5.900 0.502 -2.189) 6.313 12.119 ( -2.373 -3.573 -1.105) 4.429 12.231 ( -0.275 -7.460 1.842) 7.689 12.471 ( 0.882 2.663 1.670) 3.265 12.558 ( 0.479 1.299 -2.931) 3.241 12.932 ( 1.613 -2.083 0.713) 2.729 13.029 ( -0.421 -2.528 -0.250) 2.575 13.145 ( -2.636 -0.594 1.359) 3.025 13.287 ( -1.089 -3.715 -4.596) 6.009 13.338 ( 5.771 -7.196 0.174) 9.226 13.533 ( -2.534 -4.149 0.502) 4.887 13.742 ( 2.236 -0.607 0.901) 2.486 13.882 ( -4.202 1.643 -0.220) 4.517 14.084 ( -0.234 -1.747 -0.447) 1.818 14.097 ( -1.366 -4.782 0.191) 4.977 14.394 ( 1.941 -9.728 -0.278) 9.924 14.460 ( -2.638 -9.485 0.340) 9.851 14.660 ( -1.323 -3.854 0.395) 4.093 14.826 ( 2.043 -12.275 -1.809) 12.574 15.061 ( -0.693 -13.015 1.954) 13.179 15.135 ( -0.019 -13.586 -3.378) 14.000 15.154 ( 0.930 -11.313 0.815) 11.380 15.256 ( -2.312 -12.839 0.332) 13.050 15.739 ( -0.489 10.966 0.473) 10.987 16.020 ( -5.941 26.541 -4.386) 27.550 17.178 ( 7.093 5.554 -0.382) 9.017 17.356 ( 2.583 7.972 -0.722) 8.411 18.251 ( -1.859 11.403 -0.078) 11.554 18.389 ( -6.757 14.077 -0.007) 15.615 20.408 ( 3.431 -13.261 -0.227) 13.700 20.514 ( 1.164 -9.591 2.754) 10.046 21.375 ( -3.184 -10.917 -0.706) 11.393 21.426 ( -1.991 -5.302 -2.348) 6.131 21.722 ( 2.139 4.084 1.517) 4.853 21.792 ( 3.214 3.340 -0.458) 4.658 21.947 ( -3.468 8.142 -1.596) 8.992 22.072 ( -3.032 5.427 -0.647) 6.250 22.331 ( 0.245 11.714 0.125) 11.718 22.477 ( -0.434 10.843 -0.219) 10.854 27.046 ( -1.540 2.915 -2.131) 3.926 27.094 ( -1.188 0.949 1.326) 2.017 27.145 ( 0.233 1.381 0.159) 1.410 27.371 ( 0.250 4.418 -0.581) 4.463 27.478 ( -0.598 14.734 0.196) 14.748 27.548 ( -2.091 16.647 0.281) 16.780 27.613 ( 0.973 13.958 -1.032) 14.030 27.843 ( -9.443 21.580 -0.651) 23.564 28.760 ( 0.782 7.064 -0.741) 7.146 28.782 ( 0.054 7.639 -0.559) 7.660 28.885 ( 0.354 4.713 1.588) 4.986 29.280 ( -9.784 6.847 5.357) 13.089 29.362 ( 0.222 -0.361 -0.269) 0.502 29.504 ( 0.736 0.327 2.177) 2.321 29.531 ( -0.758 -2.199 -1.730) 2.899 29.629 ( -2.608 -0.433 -4.012) 4.805 29.778 ( -2.822 0.276 0.404) 2.864 29.914 ( 1.872 0.138 0.387) 1.916 29.989 ( 4.757 -2.636 1.791) 5.726 30.244 ( -4.302 -1.196 3.548) 5.703 30.799 ( 0.639 -3.848 1.359) 4.130 30.849 ( 0.932 -1.913 -0.933) 2.324 30.938 ( 1.502 -7.451 -2.453) 7.987 31.061 ( -1.664 -3.302 -0.451) 3.726 31.190 ( 1.395 -7.391 -2.367) 7.885 31.280 ( 6.149 -6.018 -6.012) 10.497 31.431 ( 7.035 -13.298 -21.076) 25.895 31.674 ( 0.273 -7.312 -7.477) 10.462 32.190 ( 0.597 -6.691 5.515) 8.691 32.201 ( 9.013 -6.906 3.086) 11.766 32.477 ( 12.546 -19.694 28.025) 36.479 33.663 ( -8.333 -19.305 -1.674) 21.093 ======================= Grid point 7 (6/60) ======================= q-point: (-0.50 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( 0.000 6.780 -0.000) 6.780 1.212 ( 0.000 9.760 0.000) 9.760 1.216 ( -0.000 11.188 -0.000) 11.188 1.303 ( -0.000 12.855 0.000) 12.855 1.709 ( 0.000 -0.149 0.000) 0.149 1.776 ( -0.000 8.007 0.000) 8.007 1.891 ( 0.000 4.287 -0.000) 4.287 1.912 ( 0.000 0.645 0.000) 0.645 1.961 ( 0.000 1.753 0.000) 1.753 2.022 ( 0.000 7.016 -0.000) 7.016 2.026 ( -0.000 -0.748 0.000) 0.748 2.082 ( 0.000 7.020 -0.000) 7.020 2.138 ( 0.000 9.562 -0.000) 9.562 2.184 ( 0.000 9.347 -0.000) 9.347 2.299 ( 0.000 11.055 0.000) 11.055 2.337 ( -0.000 3.392 -0.000) 3.392 2.462 ( 0.000 9.788 -0.000) 9.788 2.559 ( 0.000 0.570 -0.000) 0.570 2.568 ( 0.000 -0.910 0.000) 0.910 2.675 ( 0.000 5.030 -0.000) 5.030 2.875 ( 0.000 4.740 0.000) 4.740 2.877 ( -0.000 13.146 -0.000) 13.146 2.946 ( 0.000 -0.016 0.000) 0.016 3.076 ( 0.000 5.559 0.000) 5.559 3.109 ( 0.000 5.066 0.000) 5.066 3.204 ( -0.000 5.614 0.000) 5.614 3.211 ( 0.000 9.472 0.000) 9.472 3.291 ( 0.000 2.903 -0.000) 2.903 3.329 ( 0.000 13.510 0.000) 13.510 3.421 ( 0.000 6.358 0.000) 6.358 3.473 ( 0.000 17.972 0.000) 17.972 3.507 ( 0.000 -4.480 0.000) 4.480 3.525 ( -0.000 6.088 -0.000) 6.088 3.719 ( 0.000 6.719 -0.000) 6.719 3.747 ( 0.000 10.957 0.000) 10.957 3.889 ( 0.000 1.905 0.000) 1.905 4.122 ( 0.000 -1.706 0.000) 1.706 4.141 ( 0.000 4.104 -0.000) 4.104 4.364 ( 0.000 -3.636 0.000) 3.636 4.425 ( 0.000 -4.951 0.000) 4.951 4.546 ( 0.000 -3.662 0.000) 3.662 4.607 ( 0.000 -2.105 0.000) 2.105 4.823 ( 0.000 0.753 0.000) 0.753 4.875 ( 0.000 -2.510 0.000) 2.510 5.175 ( 0.000 -2.566 0.000) 2.566 5.280 ( 0.000 -6.652 0.000) 6.652 5.304 ( 0.000 -5.645 -0.000) 5.645 5.473 ( 0.000 -1.645 0.000) 1.645 5.629 ( 0.000 2.541 -0.000) 2.541 5.660 ( -0.000 -0.473 -0.000) 0.473 5.872 ( -0.000 0.626 0.000) 0.626 5.893 ( 0.000 -11.951 0.000) 11.951 6.104 ( 0.000 -1.224 0.000) 1.224 6.307 ( 0.000 -0.199 0.000) 0.199 6.427 ( -0.000 5.747 0.000) 5.747 6.438 ( 0.000 -2.575 -0.000) 2.575 6.788 ( 0.000 -1.252 0.000) 1.252 6.802 ( 0.000 0.808 -0.000) 0.808 7.106 ( 0.000 7.381 -0.000) 7.381 7.156 ( 0.000 3.467 0.000) 3.467 7.338 ( 0.000 7.615 0.000) 7.615 7.506 ( 0.000 4.793 -0.000) 4.793 7.949 ( 0.000 5.525 0.000) 5.525 7.989 ( 0.000 7.288 -0.000) 7.288 8.174 ( 0.000 5.342 0.000) 5.342 8.290 ( 0.000 2.336 0.000) 2.336 8.509 ( 0.000 -0.140 0.000) 0.140 8.553 ( 0.000 3.206 -0.000) 3.206 8.720 ( -0.000 -0.075 0.000) 0.075 8.749 ( 0.000 7.672 0.000) 7.672 8.856 ( 0.000 2.103 0.000) 2.103 8.899 ( 0.000 -3.397 0.000) 3.397 9.245 ( 0.000 -9.356 0.000) 9.356 9.289 ( 0.000 4.221 0.000) 4.221 9.604 ( 0.000 2.125 0.000) 2.125 9.796 ( 0.000 7.229 0.000) 7.229 10.136 ( 0.000 0.463 0.000) 0.463 10.162 ( 0.000 5.962 -0.000) 5.962 10.403 ( 0.000 -0.901 -0.000) 0.901 10.431 ( 0.000 0.507 0.000) 0.507 10.937 ( 0.000 3.198 0.000) 3.198 11.030 ( 0.000 2.660 -0.000) 2.660 11.158 ( 0.000 3.375 0.000) 3.375 11.260 ( 0.000 8.849 0.000) 8.849 11.345 ( 0.000 4.246 0.000) 4.246 11.628 ( 0.000 -0.060 0.000) 0.060 12.092 ( 0.000 -1.225 0.000) 1.225 12.223 ( 0.000 -8.688 0.000) 8.688 12.496 ( 0.000 -0.799 -0.000) 0.799 12.554 ( 0.000 2.418 0.000) 2.418 12.965 ( 0.000 -2.321 -0.000) 2.321 13.010 ( 0.000 1.328 0.000) 1.328 13.110 ( 0.000 0.145 0.000) 0.145 13.251 ( 0.000 -4.168 -0.000) 4.168 13.428 ( 0.000 -6.965 0.000) 6.965 13.510 ( 0.000 -9.385 -0.000) 9.385 13.760 ( 0.000 0.785 0.000) 0.785 13.854 ( 0.000 0.217 0.000) 0.217 14.084 ( 0.000 -5.420 -0.000) 5.420 14.085 ( -0.000 1.429 0.000) 1.429 14.419 ( 0.000 -6.855 0.000) 6.855 14.429 ( 0.000 -12.925 -0.000) 12.925 14.628 ( 0.000 -5.081 0.000) 5.081 14.851 ( 0.000 -9.003 -0.000) 9.003 15.053 ( 0.000 -13.147 -0.000) 13.147 15.135 ( 0.000 -13.632 0.000) 13.632 15.179 ( 0.000 -9.876 0.000) 9.876 15.220 ( 0.000 -12.762 0.000) 12.762 15.734 ( 0.000 9.273 0.000) 9.273 15.970 ( 0.000 23.156 0.000) 23.156 17.318 ( 0.000 4.831 0.000) 4.831 17.332 ( 0.000 8.732 -0.000) 8.732 18.249 ( 0.000 11.820 -0.000) 11.820 18.281 ( 0.000 14.275 0.000) 14.275 20.488 ( 0.000 -11.130 0.000) 11.130 20.498 ( -0.000 -11.173 -0.000) 11.173 21.338 ( 0.000 -11.987 0.000) 11.987 21.394 ( 0.000 -4.940 -0.000) 4.940 21.773 ( 0.000 3.346 0.000) 3.346 21.804 ( 0.000 11.156 -0.000) 11.156 21.917 ( 0.000 6.238 0.000) 6.238 22.029 ( 0.000 -1.203 0.000) 1.203 22.334 ( 0.000 11.650 0.000) 11.650 22.471 ( 0.000 11.268 0.000) 11.268 27.029 ( 0.000 3.831 0.000) 3.831 27.072 ( 0.000 0.705 -0.000) 0.705 27.150 ( 0.000 1.506 -0.000) 1.506 27.374 ( 0.000 4.456 0.000) 4.456 27.471 ( 0.000 15.007 -0.000) 15.007 27.525 ( 0.000 15.005 0.000) 15.005 27.622 ( 0.000 17.303 -0.000) 17.303 27.772 ( 0.000 16.921 0.000) 16.921 28.767 ( 0.000 8.261 0.000) 8.261 28.784 ( 0.000 7.841 -0.000) 7.841 28.891 ( 0.000 4.993 -0.000) 4.993 29.192 ( 0.000 2.623 -0.000) 2.623 29.374 ( 0.000 -1.336 0.000) 1.336 29.506 ( 0.000 -2.224 0.000) 2.224 29.549 ( 0.000 -1.193 -0.000) 1.193 29.579 ( 0.000 0.356 0.000) 0.356 29.750 ( 0.000 1.015 0.000) 1.015 29.935 ( 0.000 -0.031 0.000) 0.031 30.074 ( 0.000 -4.672 0.000) 4.672 30.165 ( 0.000 0.768 -0.000) 0.768 30.822 ( 0.000 -3.427 0.000) 3.427 30.867 ( 0.000 -1.573 -0.000) 1.573 30.909 ( 0.000 -6.288 0.000) 6.288 31.033 ( 0.000 -2.657 0.000) 2.657 31.230 ( 0.000 -7.675 -0.000) 7.675 31.351 ( 0.000 -5.720 -0.000) 5.720 31.457 ( 0.000 -10.448 0.000) 10.448 31.665 ( 0.000 -6.400 0.000) 6.400 32.201 ( 0.000 -7.001 -0.000) 7.001 32.328 ( 0.000 -9.919 0.000) 9.919 32.609 ( 0.000 -17.932 0.000) 17.932 33.547 ( 0.000 -17.023 0.000) 17.023 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.00 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( 0.000 22.488 0.000) 22.488 1.140 ( 0.000 28.735 0.000) 28.735 1.703 ( 0.000 7.778 0.000) 7.778 1.767 ( 0.000 10.863 0.000) 10.863 1.839 ( 0.000 4.850 0.000) 4.850 1.840 ( 0.000 13.508 0.000) 13.508 1.912 ( 0.000 2.752 0.000) 2.752 2.045 ( 0.000 8.826 0.000) 8.826 2.048 ( 0.000 3.238 0.000) 3.238 2.109 ( 0.000 7.086 0.000) 7.086 2.128 ( 0.000 6.763 0.000) 6.763 2.212 ( 0.000 4.100 0.000) 4.100 2.304 ( 0.000 3.452 0.000) 3.452 2.368 ( 0.000 7.346 0.000) 7.346 2.390 ( 0.000 5.022 0.000) 5.022 2.496 ( 0.000 6.327 0.000) 6.327 2.574 ( 0.000 -4.921 0.000) 4.921 2.667 ( 0.000 1.288 0.000) 1.288 2.673 ( 0.000 -0.885 0.000) 0.885 2.793 ( 0.000 1.582 0.000) 1.582 2.891 ( 0.000 2.885 0.000) 2.885 2.921 ( 0.000 -0.943 0.000) 0.943 2.985 ( 0.000 -5.363 0.000) 5.363 3.122 ( 0.000 0.200 0.000) 0.200 3.225 ( 0.000 2.604 0.000) 2.604 3.276 ( 0.000 -1.671 0.000) 1.671 3.333 ( 0.000 0.065 0.000) 0.065 3.376 ( 0.000 4.669 0.000) 4.669 3.404 ( 0.000 -1.985 0.000) 1.985 3.534 ( 0.000 0.229 0.000) 0.229 3.596 ( 0.000 7.701 0.000) 7.701 3.718 ( 0.000 13.947 0.000) 13.947 3.772 ( 0.000 18.156 0.000) 18.156 3.847 ( 0.000 -1.233 0.000) 1.233 3.890 ( 0.000 20.876 0.000) 20.876 4.038 ( 0.000 1.286 0.000) 1.286 4.128 ( 0.000 16.819 0.000) 16.819 4.177 ( 0.000 10.019 0.000) 10.019 4.341 ( 0.000 2.819 0.000) 2.819 4.521 ( 0.000 0.373 0.000) 0.373 4.568 ( 0.000 7.286 0.000) 7.286 4.690 ( 0.000 -1.862 0.000) 1.862 4.732 ( 0.000 4.323 0.000) 4.323 4.828 ( 0.000 3.386 0.000) 3.386 4.999 ( 0.000 5.487 0.000) 5.487 5.010 ( 0.000 -0.443 0.000) 0.443 5.319 ( 0.000 2.117 0.000) 2.117 5.347 ( 0.000 0.581 0.000) 0.581 5.570 ( 0.000 2.937 0.000) 2.937 5.571 ( 0.000 0.634 0.000) 0.634 5.902 ( 0.000 -1.242 0.000) 1.242 6.006 ( 0.000 -2.988 0.000) 2.988 6.205 ( 0.000 6.894 0.000) 6.894 6.257 ( 0.000 7.725 0.000) 7.725 6.492 ( 0.000 4.847 0.000) 4.847 6.522 ( 0.000 6.812 0.000) 6.812 6.804 ( 0.000 0.594 0.000) 0.594 6.867 ( 0.000 5.037 0.000) 5.037 7.401 ( 0.000 9.328 0.000) 9.328 7.417 ( 0.000 3.124 0.000) 3.124 7.525 ( 0.000 8.797 0.000) 8.797 7.667 ( 0.000 10.564 0.000) 10.564 8.000 ( 0.000 3.673 0.000) 3.673 8.008 ( 0.000 3.914 0.000) 3.914 8.236 ( 0.000 -1.364 0.000) 1.364 8.255 ( 0.000 5.441 0.000) 5.441 8.548 ( 0.000 -0.142 0.000) 0.142 8.559 ( 0.000 3.701 0.000) 3.701 8.740 ( 0.000 -8.631 0.000) 8.631 8.809 ( 0.000 7.760 0.000) 7.760 8.871 ( 0.000 3.643 0.000) 3.643 8.981 ( 0.000 -3.268 0.000) 3.268 9.354 ( 0.000 6.921 0.000) 6.921 9.456 ( 0.000 9.684 0.000) 9.684 9.670 ( 0.000 5.380 0.000) 5.380 9.874 ( 0.000 11.315 0.000) 11.315 10.143 ( 0.000 2.445 0.000) 2.445 10.289 ( 0.000 3.514 0.000) 3.514 10.412 ( 0.000 0.347 0.000) 0.347 10.474 ( 0.000 3.375 0.000) 3.375 11.006 ( 0.000 -0.895 0.000) 0.895 11.231 ( 0.000 3.770 0.000) 3.770 11.237 ( 0.000 0.182 0.000) 0.182 11.272 ( 0.000 1.480 0.000) 1.480 11.531 ( 0.000 10.921 0.000) 10.921 11.551 ( 0.000 14.329 0.000) 14.329 12.061 ( 0.000 -7.090 0.000) 7.090 12.097 ( 0.000 -3.584 0.000) 3.584 12.502 ( 0.000 0.583 0.000) 0.583 12.608 ( 0.000 0.202 0.000) 0.202 12.859 ( 0.000 -4.087 0.000) 4.087 12.900 ( 0.000 -8.730 0.000) 8.730 13.075 ( 0.000 -12.373 0.000) 12.373 13.145 ( 0.000 -2.309 0.000) 2.309 13.249 ( 0.000 -1.406 0.000) 1.406 13.531 ( 0.000 -6.650 0.000) 6.650 13.578 ( 0.000 -9.984 0.000) 9.984 13.763 ( 0.000 -15.495 0.000) 15.495 13.940 ( 0.000 -10.517 0.000) 10.517 13.977 ( 0.000 -10.352 0.000) 10.352 14.176 ( 0.000 -8.954 0.000) 8.954 14.262 ( 0.000 -17.435 0.000) 17.435 14.464 ( 0.000 -10.306 0.000) 10.306 14.587 ( 0.000 -12.776 0.000) 12.776 14.704 ( 0.000 -21.117 0.000) 21.117 14.776 ( 0.000 -22.049 0.000) 22.049 14.777 ( 0.000 -22.700 0.000) 22.700 14.933 ( 0.000 -20.168 0.000) 20.168 16.128 ( 0.000 24.788 0.000) 24.788 16.642 ( 0.000 24.588 0.000) 24.588 17.377 ( 0.000 10.606 0.000) 10.606 17.421 ( 0.000 16.273 0.000) 16.273 18.665 ( 0.000 23.659 0.000) 23.659 18.788 ( 0.000 21.681 0.000) 21.681 20.159 ( 0.000 -10.290 0.000) 10.290 20.232 ( 0.000 -9.918 0.000) 9.918 21.285 ( 0.000 -6.276 0.000) 6.276 21.311 ( 0.000 -7.041 0.000) 7.041 21.711 ( 0.000 -4.391 0.000) 4.391 21.722 ( 0.000 -1.626 0.000) 1.626 22.170 ( 0.000 8.838 0.000) 8.838 22.298 ( 0.000 6.869 0.000) 6.869 22.569 ( 0.000 11.563 0.000) 11.563 22.708 ( 0.000 11.004 0.000) 11.004 27.134 ( 0.000 5.827 0.000) 5.827 27.217 ( 0.000 6.454 0.000) 6.454 27.218 ( 0.000 7.975 0.000) 7.975 27.493 ( 0.000 7.862 0.000) 7.862 27.807 ( 0.000 17.142 0.000) 17.142 27.856 ( 0.000 15.584 0.000) 15.584 27.962 ( 0.000 18.279 0.000) 18.279 28.246 ( 0.000 8.078 0.000) 8.078 28.851 ( 0.000 6.644 0.000) 6.644 28.991 ( 0.000 12.161 0.000) 12.161 29.002 ( 0.000 7.814 0.000) 7.814 29.356 ( 0.000 -0.230 0.000) 0.230 29.421 ( 0.000 -0.447 0.000) 0.447 29.471 ( 0.000 -4.206 0.000) 4.206 29.624 ( 0.000 -2.284 0.000) 2.284 29.710 ( 0.000 -7.091 0.000) 7.091 29.784 ( 0.000 0.660 0.000) 0.660 29.856 ( 0.000 2.005 0.000) 2.005 29.926 ( 0.000 2.532 0.000) 2.532 30.294 ( 0.000 1.876 0.000) 1.876 30.613 ( 0.000 -5.584 0.000) 5.584 30.710 ( 0.000 -6.535 0.000) 6.535 30.862 ( 0.000 -5.200 0.000) 5.200 30.917 ( 0.000 -5.462 0.000) 5.462 31.007 ( 0.000 -7.012 0.000) 7.012 31.031 ( 0.000 -10.050 0.000) 10.050 31.192 ( 0.000 -7.160 0.000) 7.160 31.446 ( 0.000 -13.591 0.000) 13.591 31.981 ( 0.000 -6.266 0.000) 6.266 32.076 ( 0.000 -8.024 0.000) 8.024 32.089 ( 0.000 -5.155 0.000) 5.155 33.246 ( 0.000 -29.860 0.000) 29.860 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.25 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 11.111 16.519 7.657) 21.330 1.167 ( 8.141 20.951 1.821) 22.551 1.593 ( -11.888 1.974 3.220) 12.474 1.749 ( -8.235 6.364 0.608) 10.425 1.779 ( -2.661 3.988 -1.928) 5.168 1.867 ( 4.228 14.967 -4.898) 16.306 1.929 ( 2.222 5.346 -4.125) 7.108 2.004 ( 3.039 6.209 -3.805) 7.891 2.065 ( -1.108 8.730 -3.158) 9.349 2.100 ( -2.511 4.423 2.224) 5.551 2.126 ( -3.909 3.948 2.072) 5.929 2.222 ( 1.607 5.978 2.363) 6.626 2.285 ( 3.435 9.308 3.531) 10.531 2.368 ( 0.127 4.218 -1.673) 4.539 2.446 ( -0.438 3.614 -3.755) 5.230 2.475 ( 1.142 6.572 -2.731) 7.208 2.572 ( 0.844 4.350 -1.822) 4.791 2.601 ( -3.734 2.455 1.729) 4.792 2.717 ( 1.413 -2.377 0.756) 2.867 2.788 ( -2.319 1.422 -0.219) 2.729 2.837 ( -0.458 3.285 0.201) 3.323 2.933 ( 2.856 -0.846 1.546) 3.356 3.078 ( 5.238 2.313 -2.527) 6.259 3.104 ( -4.882 -0.100 1.070) 4.999 3.175 ( -3.164 2.277 3.796) 5.441 3.281 ( 2.100 0.207 -2.084) 2.966 3.306 ( -2.666 -2.886 -0.298) 3.940 3.364 ( -0.563 4.168 3.853) 5.704 3.402 ( -0.395 -2.701 -0.042) 2.730 3.548 ( -0.168 6.775 -1.165) 6.876 3.597 ( 0.413 10.001 -0.700) 10.034 3.719 ( 0.341 7.832 -0.921) 7.893 3.829 ( 3.270 14.261 3.737) 15.101 3.881 ( 3.800 10.401 2.198) 11.290 3.947 ( 6.012 7.230 3.032) 9.880 4.069 ( 0.163 14.900 -1.504) 14.976 4.146 ( 2.271 11.161 -1.617) 11.504 4.257 ( 6.304 7.142 -0.895) 9.568 4.322 ( -1.888 7.001 -0.760) 7.291 4.438 ( -5.822 6.410 -0.763) 8.692 4.568 ( -4.129 6.424 2.509) 8.038 4.652 ( -3.414 0.978 -2.621) 4.414 4.692 ( 5.974 -1.966 4.590) 7.786 4.852 ( -0.248 -1.701 -1.980) 2.622 5.016 ( 5.163 -0.132 -4.821) 7.065 5.238 ( 1.876 -0.903 2.362) 3.149 5.268 ( 1.853 0.154 0.790) 2.020 5.384 ( -1.127 -4.184 -0.214) 4.338 5.526 ( 2.219 1.009 0.776) 2.558 5.625 ( 7.605 6.943 -3.122) 10.760 5.859 ( -1.960 -0.130 5.327) 5.678 5.952 ( -5.287 -0.023 -2.469) 5.835 6.184 ( -5.641 5.891 2.432) 8.511 6.306 ( 5.042 4.951 -2.780) 7.593 6.453 ( -1.829 4.471 -1.550) 5.073 6.548 ( 0.319 6.289 2.746) 6.870 6.735 ( -2.166 1.178 1.329) 2.801 6.904 ( -1.623 4.149 -0.822) 4.530 7.211 ( -6.799 0.464 2.455) 7.244 7.399 ( -5.222 10.159 -3.769) 12.029 7.516 ( -2.165 8.857 2.168) 9.372 7.671 ( -0.158 10.392 -4.389) 11.283 8.006 ( 1.224 2.343 1.102) 2.864 8.087 ( 3.157 4.604 -0.019) 5.583 8.273 ( 3.235 4.713 -0.972) 5.799 8.322 ( 6.933 3.446 2.381) 8.100 8.492 ( -1.753 3.941 0.600) 4.355 8.585 ( 0.169 -3.060 -1.564) 3.441 8.729 ( -1.865 -4.018 -0.083) 4.430 8.819 ( -0.974 2.839 -0.815) 3.111 8.888 ( 2.933 5.113 -0.323) 5.903 8.978 ( -0.240 1.808 1.305) 2.242 9.261 ( -6.367 7.105 1.483) 9.655 9.422 ( -3.273 8.013 -2.447) 8.995 9.685 ( 2.492 7.673 -0.827) 8.109 9.943 ( 3.766 11.384 1.621) 12.100 10.127 ( -0.605 0.214 -0.130) 0.654 10.263 ( -2.037 2.652 1.136) 3.532 10.424 ( -0.512 2.549 -0.053) 2.601 10.445 ( -1.306 0.163 0.049) 1.317 10.989 ( 0.162 1.145 -3.704) 3.880 11.107 ( -5.864 0.050 2.097) 6.228 11.256 ( -0.811 2.241 1.559) 2.848 11.377 ( 5.357 7.848 -1.155) 9.572 11.562 ( 1.379 15.629 0.007) 15.690 11.587 ( 3.330 4.636 -1.325) 5.860 12.026 ( -0.108 -5.301 -0.200) 5.305 12.120 ( -0.940 -3.991 1.072) 4.238 12.495 ( -0.893 -0.118 0.202) 0.923 12.567 ( -2.218 -1.791 1.086) 3.050 12.852 ( 0.550 -6.491 0.743) 6.557 12.949 ( 3.383 -6.278 -1.377) 7.263 13.062 ( -0.511 -9.232 -0.998) 9.300 13.150 ( -1.687 -4.740 -0.311) 5.041 13.283 ( 3.515 -1.859 -1.442) 4.229 13.448 ( -4.823 -5.536 1.420) 7.478 13.631 ( 2.086 -11.793 0.246) 11.978 13.724 ( -2.313 -15.176 0.511) 15.359 13.955 ( 0.456 -9.184 0.392) 9.204 13.973 ( 0.440 -9.320 -0.796) 9.365 14.192 ( 1.460 -9.885 0.063) 9.993 14.231 ( -1.565 -13.978 1.027) 14.103 14.505 ( -2.101 -14.412 -1.446) 14.636 14.568 ( 2.789 -13.129 -1.790) 13.541 14.711 ( -0.493 -20.926 2.881) 21.129 14.767 ( 0.196 -22.219 -1.421) 22.266 14.815 ( 2.625 -20.674 0.243) 20.841 14.917 ( -1.311 -19.647 1.172) 19.726 16.112 ( -1.276 25.067 0.706) 25.110 16.571 ( -4.889 27.815 -0.617) 28.249 17.369 ( 4.405 12.832 -0.411) 13.574 17.550 ( 4.543 11.841 -0.398) 12.689 18.582 ( -3.517 22.303 -0.289) 22.580 18.757 ( -5.246 23.204 -0.023) 23.790 20.156 ( 4.124 -10.615 -0.138) 11.389 20.328 ( 3.095 -7.851 1.189) 8.522 21.202 ( -4.260 -6.656 0.016) 7.902 21.320 ( -1.120 -5.704 -2.149) 6.197 21.739 ( 2.150 -3.259 1.997) 4.385 21.796 ( 6.941 -3.013 -1.447) 7.704 22.116 ( -4.447 7.694 -0.895) 8.931 22.195 ( -8.590 7.361 0.409) 11.320 22.573 ( 0.271 11.531 0.387) 11.541 22.707 ( -0.014 11.155 -0.316) 11.159 27.132 ( 0.093 6.288 -0.559) 6.313 27.192 ( -1.551 8.115 -1.889) 8.475 27.227 ( 0.133 6.535 2.376) 6.955 27.491 ( -0.049 7.633 -0.435) 7.646 27.798 ( -0.128 17.072 0.012) 17.072 27.880 ( -0.251 16.057 -0.211) 16.061 27.940 ( 0.114 18.275 0.073) 18.275 28.181 ( -4.444 13.768 -0.256) 14.470 28.893 ( 3.356 6.759 -0.597) 7.570 28.982 ( -0.615 11.695 -1.046) 11.758 29.012 ( 0.785 8.093 1.112) 8.207 29.338 ( -1.415 -0.988 0.813) 1.908 29.382 ( -7.022 1.380 1.090) 7.239 29.469 ( -0.835 -3.600 -1.283) 3.912 29.517 ( -3.882 1.054 4.300) 5.889 29.609 ( -1.752 -1.725 -2.048) 3.201 29.799 ( -1.017 2.210 -0.051) 2.434 29.914 ( 3.691 -1.977 0.023) 4.187 29.942 ( 1.319 1.063 -0.261) 1.714 30.242 ( -3.999 1.142 2.086) 4.653 30.693 ( 2.633 -7.171 1.022) 7.707 30.743 ( 3.161 -8.049 -5.452) 10.223 30.817 ( -0.906 -4.721 1.204) 4.956 30.963 ( 0.470 -6.515 -0.006) 6.532 31.010 ( 1.483 -9.876 -3.840) 10.699 31.136 ( 6.840 -8.497 -4.409) 11.765 31.200 ( 0.783 -10.538 2.899) 10.958 31.464 ( 1.284 -13.752 -4.341) 14.478 32.039 ( 4.366 -8.692 3.644) 10.388 32.050 ( -0.242 -7.468 4.181) 8.563 32.200 ( 6.622 -10.700 3.405) 13.036 33.186 ( -4.897 -27.783 -1.199) 28.237 ======================= Grid point 12 (9/60) ======================= q-point: (-0.50 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 0.000 7.653 -0.000) 7.653 1.380 ( -0.000 6.454 0.000) 6.454 1.466 ( 0.000 13.799 -0.000) 13.799 1.492 ( -0.000 7.226 0.000) 7.226 1.762 ( 0.000 4.855 0.000) 4.855 1.889 ( 0.000 3.332 0.000) 3.332 1.983 ( 0.000 0.768 -0.000) 0.768 1.997 ( -0.000 7.354 0.000) 7.354 2.042 ( 0.000 9.644 0.000) 9.644 2.088 ( 0.000 1.420 0.000) 1.420 2.106 ( 0.000 9.093 -0.000) 9.093 2.255 ( 0.000 8.820 0.000) 8.820 2.326 ( 0.000 7.725 0.000) 7.725 2.352 ( 0.000 4.376 -0.000) 4.376 2.459 ( 0.000 8.383 -0.000) 8.383 2.481 ( 0.000 6.757 -0.000) 6.757 2.552 ( 0.000 0.391 0.000) 0.391 2.652 ( -0.000 9.720 0.000) 9.720 2.655 ( 0.000 10.704 -0.000) 10.704 2.767 ( 0.000 2.026 -0.000) 2.026 2.858 ( 0.000 -3.071 -0.000) 3.071 2.951 ( 0.000 0.365 0.000) 0.365 3.028 ( 0.000 -0.242 -0.000) 0.242 3.136 ( 0.000 1.161 -0.000) 1.161 3.182 ( 0.000 3.707 0.000) 3.707 3.269 ( 0.000 0.719 0.000) 0.719 3.284 ( 0.000 -4.268 -0.000) 4.268 3.348 ( 0.000 5.020 -0.000) 5.020 3.416 ( 0.000 -2.065 -0.000) 2.065 3.561 ( 0.000 6.537 0.000) 6.537 3.580 ( 0.000 10.700 0.000) 10.700 3.722 ( 0.000 10.317 0.000) 10.317 3.898 ( 0.000 3.681 -0.000) 3.681 3.919 ( 0.000 9.818 0.000) 9.818 4.030 ( 0.000 17.743 -0.000) 17.743 4.049 ( 0.000 20.261 0.000) 20.261 4.195 ( 0.000 12.763 0.000) 12.763 4.293 ( 0.000 -0.304 -0.000) 0.304 4.328 ( 0.000 6.666 0.000) 6.666 4.358 ( 0.000 4.511 0.000) 4.511 4.543 ( 0.000 5.510 -0.000) 5.510 4.601 ( 0.000 4.913 0.000) 4.913 4.811 ( 0.000 -2.170 -0.000) 2.170 4.817 ( -0.000 -1.566 0.000) 1.566 5.099 ( 0.000 -3.594 0.000) 3.594 5.183 ( 0.000 -5.941 -0.000) 5.941 5.192 ( 0.000 -1.486 0.000) 1.486 5.425 ( 0.000 -2.318 -0.000) 2.318 5.704 ( 0.000 -2.302 -0.000) 2.302 5.740 ( 0.000 6.815 -0.000) 6.815 5.768 ( 0.000 6.604 0.000) 6.604 5.878 ( 0.000 0.457 0.000) 0.457 6.107 ( 0.000 2.989 0.000) 2.989 6.354 ( 0.000 6.206 0.000) 6.206 6.427 ( 0.000 2.338 0.000) 2.338 6.540 ( 0.000 5.286 -0.000) 5.286 6.763 ( -0.000 -0.615 0.000) 0.615 6.804 ( 0.000 0.190 -0.000) 0.190 7.233 ( -0.000 5.820 -0.000) 5.820 7.270 ( 0.000 8.319 0.000) 8.319 7.487 ( 0.000 8.612 0.000) 8.612 7.658 ( 0.000 10.196 0.000) 10.196 8.022 ( 0.000 2.111 0.000) 2.111 8.111 ( 0.000 2.658 -0.000) 2.658 8.322 ( 0.000 7.260 0.000) 7.260 8.401 ( 0.000 8.878 0.000) 8.878 8.515 ( 0.000 -1.496 0.000) 1.496 8.602 ( 0.000 1.001 0.000) 1.001 8.675 ( 0.000 2.087 0.000) 2.087 8.784 ( 0.000 -4.042 0.000) 4.042 8.925 ( 0.000 2.622 0.000) 2.622 8.968 ( 0.000 7.452 -0.000) 7.452 9.205 ( 0.000 7.944 0.000) 7.944 9.376 ( 0.000 5.597 -0.000) 5.597 9.718 ( 0.000 10.110 0.000) 10.110 9.978 ( 0.000 10.813 0.000) 10.813 10.131 ( 0.000 -0.894 -0.000) 0.894 10.237 ( 0.000 1.511 -0.000) 1.511 10.391 ( 0.000 -0.260 -0.000) 0.260 10.450 ( 0.000 1.635 0.000) 1.635 11.005 ( 0.000 2.841 0.000) 2.841 11.041 ( 0.000 -0.885 0.000) 0.885 11.223 ( 0.000 4.383 0.000) 4.383 11.466 ( 0.000 9.369 0.000) 9.369 11.542 ( 0.000 13.896 0.000) 13.896 11.637 ( 0.000 3.523 0.000) 3.523 12.066 ( -0.000 -1.500 0.000) 1.500 12.067 ( 0.000 -6.524 -0.000) 6.524 12.479 ( 0.000 -1.690 -0.000) 1.690 12.552 ( 0.000 -2.769 0.000) 2.769 12.869 ( 0.000 -7.413 0.000) 7.413 12.987 ( 0.000 -5.637 0.000) 5.637 13.074 ( -0.000 -10.131 0.000) 10.131 13.096 ( 0.000 -1.784 -0.000) 1.784 13.343 ( -0.000 -3.288 0.000) 3.288 13.380 ( 0.000 -5.002 -0.000) 5.002 13.650 ( 0.000 -13.251 0.000) 13.251 13.703 ( 0.000 -15.053 0.000) 15.053 13.953 ( 0.000 -7.028 0.000) 7.028 13.987 ( 0.000 -10.392 0.000) 10.392 14.212 ( 0.000 -14.007 0.000) 14.007 14.220 ( 0.000 -8.175 -0.000) 8.175 14.453 ( 0.000 -13.450 0.000) 13.450 14.618 ( 0.000 -15.497 -0.000) 15.497 14.694 ( 0.000 -21.425 0.000) 21.425 14.773 ( 0.000 -21.994 0.000) 21.994 14.854 ( 0.000 -19.904 -0.000) 19.904 14.897 ( 0.000 -18.711 0.000) 18.711 16.096 ( 0.000 25.357 0.000) 25.357 16.515 ( 0.000 29.258 0.000) 29.258 17.465 ( 0.000 9.706 0.000) 9.706 17.560 ( 0.000 13.689 0.000) 13.689 18.583 ( 0.000 22.308 -0.000) 22.308 18.647 ( 0.000 22.805 0.000) 22.805 20.285 ( 0.000 -8.056 -0.000) 8.056 20.289 ( -0.000 -8.578 0.000) 8.578 21.164 ( 0.000 -5.902 0.000) 5.902 21.292 ( 0.000 -5.553 -0.000) 5.553 21.774 ( 0.000 -3.525 0.000) 3.525 21.922 ( 0.000 -5.411 -0.000) 5.411 22.041 ( -0.000 6.566 0.000) 6.566 22.063 ( 0.000 9.629 0.000) 9.629 22.577 ( 0.000 11.738 0.000) 11.738 22.707 ( 0.000 11.190 0.000) 11.190 27.138 ( 0.000 5.994 0.000) 5.994 27.165 ( 0.000 9.389 0.000) 9.389 27.231 ( 0.000 6.291 -0.000) 6.291 27.491 ( 0.000 7.373 0.000) 7.373 27.804 ( 0.000 17.407 0.000) 17.407 27.851 ( 0.000 17.016 0.000) 17.016 27.969 ( 0.000 17.407 -0.000) 17.407 28.125 ( 0.000 17.051 0.000) 17.051 28.941 ( 0.000 7.608 0.000) 7.608 28.969 ( 0.000 11.391 0.000) 11.391 29.028 ( 0.000 8.681 -0.000) 8.681 29.258 ( 0.000 3.668 -0.000) 3.668 29.337 ( 0.000 -2.405 -0.000) 2.405 29.451 ( 0.000 -3.122 0.000) 3.122 29.521 ( 0.000 -1.397 -0.000) 1.397 29.580 ( 0.000 -0.389 0.000) 0.389 29.788 ( 0.000 3.211 0.000) 3.211 29.949 ( 0.000 1.724 0.000) 1.724 29.971 ( 0.000 -4.914 0.000) 4.914 30.190 ( 0.000 1.829 -0.000) 1.829 30.737 ( 0.000 -5.421 0.000) 5.421 30.749 ( -0.000 -9.555 -0.000) 9.555 30.807 ( 0.000 -4.549 -0.000) 4.549 30.955 ( 0.000 -5.211 0.000) 5.211 31.054 ( 0.000 -9.561 -0.000) 9.561 31.201 ( 0.000 -14.160 -0.000) 14.160 31.207 ( 0.000 -8.736 0.000) 8.736 31.473 ( 0.000 -13.274 0.000) 13.274 32.050 ( 0.000 -7.945 -0.000) 7.945 32.106 ( 0.000 -11.595 0.000) 11.595 32.281 ( 0.000 -14.129 0.000) 14.129 33.119 ( 0.000 -25.346 0.000) 25.346 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.00 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( 0.000 19.292 0.000) 19.292 1.659 ( 0.000 23.244 0.000) 23.244 1.677 ( 0.000 -1.531 0.000) 1.531 1.869 ( 0.000 4.321 0.000) 4.321 1.926 ( 0.000 4.801 0.000) 4.801 1.993 ( 0.000 5.854 0.000) 5.854 2.065 ( 0.000 -2.958 0.000) 2.958 2.127 ( 0.000 4.741 0.000) 4.741 2.147 ( 0.000 8.389 0.000) 8.389 2.183 ( 0.000 1.001 0.000) 1.001 2.274 ( 0.000 2.405 0.000) 2.405 2.307 ( 0.000 4.524 0.000) 4.524 2.350 ( 0.000 1.739 0.000) 1.739 2.510 ( 0.000 5.898 0.000) 5.898 2.541 ( 0.000 9.370 0.000) 9.370 2.584 ( 0.000 3.546 0.000) 3.546 2.586 ( 0.000 3.737 0.000) 3.737 2.650 ( 0.000 1.816 0.000) 1.816 2.688 ( 0.000 0.429 0.000) 0.429 2.865 ( 0.000 5.006 0.000) 5.006 2.903 ( 0.000 -1.038 0.000) 1.038 2.909 ( 0.000 1.553 0.000) 1.553 2.940 ( 0.000 0.521 0.000) 0.521 3.112 ( 0.000 -3.449 0.000) 3.449 3.185 ( 0.000 -0.589 0.000) 0.589 3.216 ( 0.000 -5.903 0.000) 5.903 3.330 ( 0.000 -0.550 0.000) 0.550 3.331 ( 0.000 0.359 0.000) 0.359 3.474 ( 0.000 4.144 0.000) 4.144 3.514 ( 0.000 -0.917 0.000) 0.917 3.681 ( 0.000 3.449 0.000) 3.449 3.798 ( 0.000 -3.103 0.000) 3.103 3.878 ( 0.000 5.896 0.000) 5.896 4.076 ( 0.000 5.794 0.000) 5.794 4.128 ( 0.000 4.656 0.000) 4.656 4.268 ( 0.000 -1.231 0.000) 1.231 4.269 ( 0.000 14.511 0.000) 14.511 4.346 ( 0.000 8.487 0.000) 8.487 4.544 ( 0.000 14.795 0.000) 14.795 4.606 ( 0.000 -2.067 0.000) 2.067 4.662 ( 0.000 4.368 0.000) 4.368 4.668 ( 0.000 5.859 0.000) 5.859 4.927 ( 0.000 11.302 0.000) 11.302 4.952 ( 0.000 7.036 0.000) 7.036 5.018 ( 0.000 3.143 0.000) 3.143 5.110 ( 0.000 6.030 0.000) 6.030 5.323 ( 0.000 -1.957 0.000) 1.957 5.352 ( 0.000 -0.729 0.000) 0.729 5.616 ( 0.000 4.919 0.000) 4.919 5.681 ( 0.000 7.370 0.000) 7.370 5.869 ( 0.000 -0.949 0.000) 0.949 5.973 ( 0.000 0.189 0.000) 0.189 6.375 ( 0.000 7.419 0.000) 7.419 6.479 ( 0.000 8.921 0.000) 8.921 6.653 ( 0.000 13.137 0.000) 13.137 6.701 ( 0.000 13.300 0.000) 13.300 6.966 ( 0.000 19.168 0.000) 19.168 7.070 ( 0.000 16.125 0.000) 16.125 7.428 ( 0.000 -0.849 0.000) 0.849 7.530 ( 0.000 3.820 0.000) 3.820 7.771 ( 0.000 15.218 0.000) 15.218 7.850 ( 0.000 7.141 0.000) 7.141 8.065 ( 0.000 2.264 0.000) 2.264 8.074 ( 0.000 1.141 0.000) 1.141 8.247 ( 0.000 3.608 0.000) 3.608 8.253 ( 0.000 -4.817 0.000) 4.817 8.487 ( 0.000 -7.554 0.000) 7.554 8.534 ( 0.000 3.595 0.000) 3.595 8.706 ( 0.000 2.187 0.000) 2.187 8.946 ( 0.000 -0.107 0.000) 0.107 8.961 ( 0.000 7.238 0.000) 7.238 9.038 ( 0.000 8.908 0.000) 8.908 9.527 ( 0.000 11.780 0.000) 11.780 9.669 ( 0.000 11.366 0.000) 11.366 9.764 ( 0.000 4.310 0.000) 4.310 10.089 ( 0.000 8.831 0.000) 8.831 10.225 ( 0.000 5.053 0.000) 5.053 10.326 ( 0.000 1.621 0.000) 1.621 10.466 ( 0.000 6.548 0.000) 6.548 10.594 ( 0.000 8.819 0.000) 8.819 11.008 ( 0.000 1.544 0.000) 1.544 11.209 ( 0.000 -2.548 0.000) 2.548 11.234 ( 0.000 0.040 0.000) 0.040 11.335 ( 0.000 2.640 0.000) 2.640 11.787 ( 0.000 12.362 0.000) 12.362 11.851 ( 0.000 14.334 0.000) 14.334 11.951 ( 0.000 -3.251 0.000) 3.251 12.035 ( 0.000 -2.457 0.000) 2.457 12.466 ( 0.000 -6.088 0.000) 6.088 12.496 ( 0.000 -12.413 0.000) 12.413 12.697 ( 0.000 -10.970 0.000) 10.970 12.721 ( 0.000 -10.710 0.000) 10.710 12.919 ( 0.000 -3.029 0.000) 3.029 13.068 ( 0.000 -5.964 0.000) 5.964 13.179 ( 0.000 -7.239 0.000) 7.239 13.332 ( 0.000 -12.534 0.000) 12.534 13.347 ( 0.000 -9.710 0.000) 9.710 13.439 ( 0.000 -16.224 0.000) 16.224 13.697 ( 0.000 -15.248 0.000) 15.248 13.729 ( 0.000 -15.997 0.000) 15.997 13.933 ( 0.000 -15.443 0.000) 15.443 13.984 ( 0.000 -11.659 0.000) 11.659 14.154 ( 0.000 -21.053 0.000) 21.053 14.228 ( 0.000 -21.777 0.000) 21.777 14.309 ( 0.000 -17.142 0.000) 17.142 14.422 ( 0.000 -14.509 0.000) 14.509 14.422 ( 0.000 -11.857 0.000) 11.857 14.591 ( 0.000 -13.717 0.000) 13.717 16.636 ( 0.000 26.191 0.000) 26.191 17.097 ( 0.000 21.659 0.000) 21.659 17.596 ( 0.000 10.354 0.000) 10.354 17.720 ( 0.000 13.062 0.000) 13.062 19.190 ( 0.000 29.577 0.000) 29.577 19.272 ( 0.000 27.447 0.000) 27.447 20.057 ( 0.000 0.390 0.000) 0.390 20.124 ( 0.000 -0.596 0.000) 0.596 21.161 ( 0.000 -6.818 0.000) 6.818 21.181 ( 0.000 -6.821 0.000) 6.821 21.566 ( 0.000 -10.570 0.000) 10.570 21.612 ( 0.000 -9.869 0.000) 9.869 22.324 ( 0.000 7.112 0.000) 7.112 22.399 ( 0.000 4.137 0.000) 4.137 22.741 ( 0.000 5.929 0.000) 5.929 22.867 ( 0.000 4.977 0.000) 4.977 27.285 ( 0.000 9.227 0.000) 9.227 27.366 ( 0.000 8.374 0.000) 8.374 27.385 ( 0.000 8.699 0.000) 8.699 27.648 ( 0.000 7.439 0.000) 7.439 28.108 ( 0.000 12.883 0.000) 12.883 28.140 ( 0.000 12.577 0.000) 12.577 28.260 ( 0.000 11.928 0.000) 11.928 28.384 ( 0.000 5.657 0.000) 5.657 28.993 ( 0.000 7.470 0.000) 7.470 29.170 ( 0.000 9.255 0.000) 9.255 29.204 ( 0.000 7.968 0.000) 7.968 29.352 ( 0.000 1.133 0.000) 1.133 29.359 ( 0.000 -5.225 0.000) 5.225 29.394 ( 0.000 -4.376 0.000) 4.376 29.572 ( 0.000 -2.309 0.000) 2.309 29.622 ( 0.000 -0.973 0.000) 0.973 29.841 ( 0.000 5.168 0.000) 5.168 29.940 ( 0.000 6.578 0.000) 6.578 29.996 ( 0.000 4.496 0.000) 4.496 30.331 ( 0.000 1.751 0.000) 1.751 30.506 ( 0.000 -5.205 0.000) 5.205 30.567 ( 0.000 -7.828 0.000) 7.828 30.724 ( 0.000 -9.038 0.000) 9.038 30.800 ( 0.000 -6.488 0.000) 6.488 30.847 ( 0.000 -8.042 0.000) 8.042 30.864 ( 0.000 -7.209 0.000) 7.209 31.044 ( 0.000 -7.765 0.000) 7.765 31.168 ( 0.000 -14.416 0.000) 14.416 31.860 ( 0.000 -5.671 0.000) 5.671 31.924 ( 0.000 -7.169 0.000) 7.169 31.985 ( 0.000 -5.329 0.000) 5.329 32.681 ( 0.000 -26.970 0.000) 26.970 ======================= Grid point 16 (11/60) ======================= q-point: ( 0.25 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 6.782 15.457 5.603) 17.785 1.517 ( -7.076 10.690 3.218) 13.217 1.638 ( -6.858 7.106 2.223) 10.123 1.842 ( -2.169 4.217 -2.596) 5.406 1.878 ( -4.126 7.166 0.549) 8.288 1.990 ( -0.193 6.708 -0.995) 6.785 2.038 ( 0.368 1.604 -0.970) 1.910 2.086 ( -2.009 2.765 0.452) 3.448 2.161 ( -0.314 4.351 -0.719) 4.421 2.205 ( -3.131 2.376 -2.992) 4.940 2.256 ( 3.469 7.590 -2.582) 8.735 2.319 ( 1.759 3.093 1.170) 3.746 2.380 ( 1.330 1.490 -1.541) 2.523 2.490 ( -0.362 5.283 -1.571) 5.523 2.542 ( -0.399 1.906 -1.150) 2.262 2.579 ( 0.908 6.923 -2.413) 7.388 2.661 ( -0.151 5.958 0.029) 5.960 2.690 ( 3.857 2.522 1.891) 4.981 2.732 ( 4.376 3.362 2.200) 5.941 2.795 ( 0.152 3.451 -0.793) 3.544 2.906 ( 2.081 4.022 0.295) 4.538 2.955 ( 1.529 1.730 -0.821) 2.451 3.064 ( -0.567 -1.785 -1.567) 2.442 3.102 ( 4.022 -0.122 -0.516) 4.056 3.178 ( -1.429 -1.220 2.423) 3.066 3.217 ( 1.259 -5.260 1.032) 5.506 3.290 ( 0.515 0.700 0.122) 0.877 3.374 ( -0.895 2.310 1.138) 2.726 3.411 ( -1.748 0.775 2.100) 2.839 3.578 ( 4.561 -2.722 1.148) 5.435 3.710 ( 0.391 4.470 -5.457) 7.064 3.806 ( -0.487 3.009 -0.546) 3.097 3.862 ( 2.184 -0.177 -0.854) 2.352 4.058 ( -2.993 4.896 2.280) 6.175 4.169 ( 1.404 3.420 0.926) 3.811 4.262 ( 2.584 4.237 1.098) 5.083 4.359 ( 1.806 8.552 2.017) 8.971 4.368 ( 5.474 6.299 1.105) 8.418 4.485 ( -3.126 8.789 1.780) 9.497 4.580 ( -2.088 -1.092 3.241) 4.007 4.665 ( 2.060 4.777 -3.602) 6.327 4.735 ( 0.858 10.263 1.751) 10.447 4.823 ( -0.491 9.142 -1.731) 9.317 4.929 ( -1.481 9.286 1.242) 9.486 5.075 ( -0.461 5.635 -6.869) 8.897 5.224 ( -2.962 -0.866 1.629) 3.489 5.270 ( -1.150 0.209 0.653) 1.339 5.331 ( 1.957 -0.662 -1.288) 2.434 5.556 ( 2.395 1.761 0.994) 3.135 5.768 ( 3.096 4.773 0.234) 5.694 5.874 ( 3.093 3.795 0.607) 4.933 5.972 ( -0.516 2.349 -1.731) 2.963 6.361 ( -5.348 6.280 1.273) 8.346 6.456 ( 1.416 10.770 -1.901) 11.028 6.658 ( -1.969 11.882 1.550) 12.144 6.673 ( -1.639 11.671 -0.844) 11.816 6.903 ( -4.457 18.099 1.064) 18.669 6.991 ( -9.522 5.850 0.842) 11.207 7.300 ( 1.429 11.857 2.376) 12.177 7.589 ( -3.584 8.347 -3.725) 9.818 7.740 ( -2.380 14.533 -0.565) 14.738 7.837 ( -0.818 5.159 -1.440) 5.418 8.044 ( 0.546 1.074 1.339) 1.801 8.127 ( -0.627 -0.095 0.581) 0.861 8.304 ( 5.005 -1.765 2.068) 5.695 8.341 ( 9.557 -0.143 -1.625) 9.695 8.484 ( 0.154 -5.307 -0.804) 5.370 8.592 ( 4.523 5.469 -0.382) 7.107 8.673 ( -1.575 0.580 -0.961) 1.934 8.886 ( -3.162 0.188 1.261) 3.409 8.992 ( 0.207 9.069 1.857) 9.259 9.105 ( 3.465 6.811 -1.133) 7.725 9.461 ( -3.447 12.922 1.759) 13.489 9.612 ( -4.673 11.197 -2.241) 12.339 9.839 ( 6.241 7.056 -1.637) 9.561 10.129 ( 2.103 6.192 1.467) 6.702 10.162 ( -3.679 3.137 1.300) 5.006 10.328 ( -3.784 5.705 -0.521) 6.866 10.442 ( 0.056 0.697 0.461) 0.838 10.542 ( -2.996 10.280 0.201) 10.710 11.000 ( -0.185 0.344 -2.158) 2.194 11.130 ( -5.336 2.108 1.165) 5.854 11.288 ( 4.446 1.696 1.008) 4.864 11.449 ( 6.880 0.803 -2.800) 7.472 11.770 ( -0.576 10.734 1.233) 10.820 11.825 ( -1.343 6.915 -0.378) 7.054 11.986 ( 1.912 4.840 0.700) 5.251 12.049 ( -0.022 -3.591 0.273) 3.601 12.429 ( -3.399 -8.921 0.765) 9.577 12.457 ( -1.781 -9.400 0.193) 9.569 12.694 ( 1.010 -8.733 -1.535) 8.924 12.753 ( 1.345 -11.793 -0.155) 11.870 12.940 ( 1.730 -3.592 -0.298) 3.998 13.058 ( -1.220 -6.195 0.434) 6.329 13.200 ( 2.067 -8.147 -0.970) 8.461 13.307 ( -1.897 -8.577 0.578) 8.803 13.348 ( -0.940 -13.031 0.878) 13.095 13.397 ( -2.211 -15.903 0.421) 16.062 13.728 ( 2.012 -14.696 -1.193) 14.881 13.740 ( 0.910 -15.918 0.574) 15.955 13.929 ( -0.203 -14.358 0.231) 14.361 13.995 ( 0.857 -13.324 -0.183) 13.353 14.124 ( -2.229 -21.872 -0.523) 21.991 14.228 ( 0.052 -20.700 -0.023) 20.701 14.324 ( 1.103 -16.236 0.485) 16.281 14.404 ( -0.226 -14.456 -0.120) 14.459 14.481 ( 3.354 -12.830 -1.174) 13.313 14.575 ( -1.323 -14.350 1.521) 14.491 16.629 ( -0.562 26.661 0.302) 26.668 17.065 ( -2.481 22.786 0.327) 22.923 17.611 ( 2.344 10.470 -0.379) 10.736 17.779 ( 3.342 10.471 -0.137) 10.992 19.091 ( -3.812 29.326 -0.172) 29.573 19.263 ( -5.245 28.203 0.033) 28.686 20.048 ( 5.460 0.147 -0.034) 5.462 20.250 ( 4.199 0.221 0.538) 4.239 21.093 ( -2.687 -5.423 0.226) 6.056 21.202 ( -0.800 -6.553 -1.328) 6.734 21.589 ( 2.379 -11.804 0.565) 12.054 21.668 ( 4.340 -10.578 -0.366) 11.439 22.240 ( -5.697 6.020 -0.128) 8.289 22.349 ( -5.591 7.870 0.191) 9.656 22.742 ( 0.430 5.435 0.134) 5.454 22.867 ( -0.150 4.908 -0.121) 4.912 27.287 ( 0.182 9.234 -0.182) 9.238 27.365 ( -0.031 8.837 -2.750) 9.255 27.379 ( -0.649 8.572 2.860) 9.060 27.644 ( -0.277 7.448 -0.164) 7.455 28.100 ( -0.211 13.060 -0.113) 13.063 28.152 ( -0.019 11.440 -0.022) 11.440 28.253 ( 0.218 12.921 -0.058) 12.923 28.386 ( -0.005 7.306 0.252) 7.311 29.026 ( 2.885 6.582 0.159) 7.188 29.180 ( 0.288 8.899 -0.274) 8.908 29.195 ( -0.135 8.704 -0.791) 8.741 29.308 ( -2.227 -1.600 1.664) 3.208 29.347 ( -2.586 -3.580 -1.351) 4.618 29.402 ( 0.187 -2.952 -0.433) 2.989 29.554 ( -2.910 1.653 1.241) 3.569 29.578 ( -1.250 0.064 1.324) 1.822 29.861 ( 1.266 3.908 -0.741) 4.174 29.935 ( -0.142 5.469 -0.222) 5.475 30.002 ( 0.407 4.227 0.126) 4.248 30.278 ( -3.757 2.166 1.537) 4.601 30.543 ( 2.031 -7.496 -1.161) 7.853 30.585 ( 1.701 -8.384 -1.107) 8.626 30.710 ( -0.497 -6.397 0.521) 6.438 30.815 ( 2.679 -8.182 -1.230) 8.697 30.844 ( -0.304 -6.942 0.250) 6.953 30.961 ( 5.830 -9.256 -1.528) 11.045 31.015 ( -2.638 -8.659 1.706) 9.211 31.175 ( 0.544 -14.972 -1.829) 15.093 31.884 ( 1.843 -6.871 1.255) 7.223 31.911 ( -0.645 -6.571 1.694) 6.816 32.029 ( 2.987 -7.288 0.179) 7.879 32.654 ( -2.152 -25.660 -0.710) 25.760 ======================= Grid point 17 (12/60) ======================= q-point: (-0.50 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 0.000 13.122 0.000) 13.122 1.466 ( 0.000 4.572 -0.000) 4.572 1.636 ( 0.000 6.669 -0.000) 6.669 1.723 ( 0.000 11.988 -0.000) 11.988 1.870 ( 0.000 5.772 0.000) 5.772 1.962 ( 0.000 3.999 0.000) 3.999 2.056 ( 0.000 7.271 -0.000) 7.271 2.076 ( -0.000 -0.259 0.000) 0.259 2.145 ( 0.000 6.558 0.000) 6.558 2.185 ( 0.000 3.804 0.000) 3.804 2.279 ( 0.000 7.888 -0.000) 7.888 2.349 ( 0.000 0.382 0.000) 0.382 2.425 ( -0.000 3.366 0.000) 3.366 2.449 ( 0.000 4.479 0.000) 4.479 2.558 ( 0.000 2.317 0.000) 2.317 2.582 ( 0.000 5.424 -0.000) 5.424 2.627 ( 0.000 7.530 0.000) 7.530 2.717 ( 0.000 -1.920 0.000) 1.920 2.811 ( 0.000 1.355 -0.000) 1.355 2.863 ( 0.000 7.990 -0.000) 7.990 2.898 ( 0.000 4.064 -0.000) 4.064 2.969 ( 0.000 3.848 0.000) 3.848 3.013 ( 0.000 0.141 0.000) 0.141 3.153 ( 0.000 1.691 -0.000) 1.691 3.169 ( 0.000 -2.530 0.000) 2.530 3.263 ( 0.000 -1.056 0.000) 1.056 3.309 ( 0.000 6.990 0.000) 6.990 3.340 ( 0.000 -3.942 0.000) 3.942 3.394 ( 0.000 -1.219 0.000) 1.219 3.677 ( 0.000 5.612 0.000) 5.612 3.691 ( -0.000 -6.409 -0.000) 6.409 3.759 ( 0.000 5.921 0.000) 5.921 3.927 ( 0.000 -2.553 -0.000) 2.553 4.015 ( 0.000 4.264 -0.000) 4.264 4.201 ( 0.000 0.489 0.000) 0.489 4.248 ( 0.000 4.048 -0.000) 4.048 4.380 ( 0.000 2.433 -0.000) 2.433 4.418 ( 0.000 4.693 -0.000) 4.693 4.505 ( -0.000 11.908 -0.000) 11.908 4.574 ( 0.000 15.829 0.000) 15.829 4.672 ( 0.000 -1.239 0.000) 1.239 4.730 ( 0.000 4.519 0.000) 4.519 4.851 ( 0.000 11.635 0.000) 11.635 4.934 ( 0.000 10.046 -0.000) 10.046 5.080 ( 0.000 1.027 -0.000) 1.027 5.086 ( -0.000 -3.906 0.000) 3.906 5.207 ( 0.000 2.646 0.000) 2.646 5.389 ( 0.000 -0.696 -0.000) 0.696 5.674 ( 0.000 -0.041 0.000) 0.041 5.777 ( 0.000 -2.413 0.000) 2.413 5.922 ( 0.000 2.311 0.000) 2.311 5.980 ( 0.000 11.333 0.000) 11.333 6.289 ( 0.000 13.989 0.000) 13.989 6.477 ( 0.000 1.084 0.000) 1.084 6.543 ( 0.000 10.100 -0.000) 10.100 6.674 ( 0.000 12.314 -0.000) 12.314 6.877 ( -0.000 9.354 0.000) 9.354 6.880 ( 0.000 16.427 -0.000) 16.427 7.378 ( -0.000 10.256 -0.000) 10.256 7.484 ( 0.000 13.419 0.000) 13.419 7.710 ( 0.000 14.939 0.000) 14.939 7.824 ( 0.000 4.866 0.000) 4.866 8.064 ( 0.000 1.778 0.000) 1.778 8.104 ( 0.000 -2.102 -0.000) 2.102 8.352 ( 0.000 -0.848 0.000) 0.848 8.484 ( 0.000 -1.305 0.000) 1.305 8.486 ( -0.000 -3.186 -0.000) 3.186 8.624 ( 0.000 1.371 -0.000) 1.371 8.720 ( -0.000 0.394 0.000) 0.394 8.823 ( 0.000 6.899 0.000) 6.899 8.991 ( 0.000 6.670 0.000) 6.670 9.111 ( 0.000 6.286 -0.000) 6.286 9.457 ( 0.000 15.654 0.000) 15.654 9.540 ( 0.000 11.457 -0.000) 11.457 9.925 ( 0.000 8.418 0.000) 8.418 10.133 ( -0.000 3.609 0.000) 3.609 10.140 ( 0.000 3.533 -0.000) 3.533 10.243 ( 0.000 -1.315 -0.000) 1.315 10.456 ( 0.000 9.797 0.000) 9.797 10.516 ( 0.000 6.148 0.000) 6.148 11.023 ( -0.000 -1.026 -0.000) 1.026 11.041 ( 0.000 1.773 0.000) 1.773 11.342 ( 0.000 7.307 0.000) 7.307 11.530 ( 0.000 -0.270 0.000) 0.270 11.764 ( 0.000 5.336 0.000) 5.336 11.816 ( 0.000 9.912 0.000) 9.912 11.998 ( 0.000 0.486 0.000) 0.486 12.043 ( 0.000 -0.004 -0.000) 0.004 12.399 ( 0.000 -7.200 0.000) 7.200 12.431 ( 0.000 -10.333 -0.000) 10.333 12.719 ( 0.000 -6.786 -0.000) 6.786 12.757 ( -0.000 -13.555 0.000) 13.555 12.966 ( 0.000 -4.160 0.000) 4.160 13.035 ( 0.000 -5.185 0.000) 5.185 13.241 ( -0.000 -9.314 0.000) 9.314 13.266 ( 0.000 -7.626 -0.000) 7.626 13.332 ( 0.000 -14.688 0.000) 14.688 13.381 ( 0.000 -14.375 -0.000) 14.375 13.748 ( 0.000 -16.735 0.000) 16.735 13.754 ( 0.000 -13.449 -0.000) 13.449 13.928 ( 0.000 -13.582 0.000) 13.582 14.008 ( 0.000 -15.553 0.000) 15.553 14.093 ( 0.000 -20.844 0.000) 20.844 14.230 ( 0.000 -21.446 0.000) 21.446 14.339 ( 0.000 -13.934 0.000) 13.934 14.400 ( 0.000 -14.771 0.000) 14.771 14.521 ( 0.000 -13.705 -0.000) 13.705 14.559 ( 0.000 -15.079 0.000) 15.079 16.622 ( 0.000 27.118 0.000) 27.118 17.034 ( 0.000 23.763 0.000) 23.763 17.652 ( 0.000 8.284 -0.000) 8.284 17.809 ( -0.000 10.496 0.000) 10.496 19.091 ( 0.000 29.200 -0.000) 29.200 19.147 ( 0.000 28.131 0.000) 28.131 20.208 ( 0.000 0.662 -0.000) 0.662 20.212 ( -0.000 0.858 0.000) 0.858 21.080 ( 0.000 -3.819 0.000) 3.819 21.174 ( 0.000 -6.855 -0.000) 6.855 21.627 ( 0.000 -11.567 0.000) 11.567 21.724 ( 0.000 -13.905 -0.000) 13.905 22.179 ( -0.000 7.853 0.000) 7.853 22.257 ( 0.000 9.514 0.000) 9.514 22.750 ( 0.000 5.657 -0.000) 5.657 22.864 ( 0.000 4.558 0.000) 4.558 27.290 ( 0.000 9.141 0.000) 9.141 27.360 ( -0.000 9.863 0.000) 9.863 27.374 ( 0.000 8.010 -0.000) 8.010 27.641 ( 0.000 7.425 0.000) 7.425 28.100 ( 0.000 12.516 0.000) 12.516 28.142 ( 0.000 12.258 -0.000) 12.258 28.265 ( 0.000 12.320 0.000) 12.320 28.384 ( 0.000 9.102 0.000) 9.102 29.070 ( 0.000 5.502 0.000) 5.502 29.170 ( 0.000 8.573 0.000) 8.573 29.209 ( 0.000 9.287 -0.000) 9.287 29.288 ( 0.000 -2.058 -0.000) 2.058 29.293 ( 0.000 -0.988 0.000) 0.988 29.399 ( 0.000 -1.844 0.000) 1.844 29.523 ( 0.000 2.586 -0.000) 2.586 29.570 ( 0.000 -0.200 0.000) 0.200 29.873 ( 0.000 4.534 0.000) 4.534 29.937 ( 0.000 3.183 -0.000) 3.183 30.006 ( 0.000 4.015 0.000) 4.015 30.235 ( 0.000 2.614 0.000) 2.614 30.563 ( 0.000 -9.183 0.000) 9.183 30.603 ( 0.000 -8.319 -0.000) 8.319 30.706 ( 0.000 -5.210 -0.000) 5.210 30.836 ( 0.000 -7.214 0.000) 7.214 30.877 ( 0.000 -8.032 0.000) 8.032 30.963 ( 0.000 -10.064 -0.000) 10.064 31.027 ( 0.000 -9.468 0.000) 9.468 31.179 ( 0.000 -15.761 0.000) 15.761 31.907 ( 0.000 -6.528 0.000) 6.528 31.910 ( 0.000 -8.245 -0.000) 8.245 32.065 ( 0.000 -8.723 0.000) 8.723 32.625 ( 0.000 -24.209 0.000) 24.209 ======================= Grid point 20 (13/60) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( 0.000 13.179 0.000) 13.179 1.657 ( 0.000 -0.619 0.000) 0.619 1.924 ( 0.000 2.151 0.000) 2.151 1.953 ( 0.000 2.979 0.000) 2.979 2.029 ( 0.000 1.780 0.000) 1.780 2.044 ( 0.000 5.592 0.000) 5.592 2.098 ( 0.000 4.604 0.000) 4.604 2.181 ( 0.000 3.769 0.000) 3.769 2.224 ( 0.000 -1.511 0.000) 1.511 2.294 ( 0.000 8.541 0.000) 8.541 2.295 ( 0.000 2.532 0.000) 2.532 2.364 ( 0.000 0.999 0.000) 0.999 2.388 ( 0.000 3.105 0.000) 3.105 2.529 ( 0.000 -1.972 0.000) 1.972 2.536 ( 0.000 -1.419 0.000) 1.419 2.657 ( 0.000 2.922 0.000) 2.922 2.716 ( 0.000 3.820 0.000) 3.820 2.733 ( 0.000 6.655 0.000) 6.655 2.778 ( 0.000 4.425 0.000) 4.425 2.890 ( 0.000 -3.529 0.000) 3.529 2.907 ( 0.000 0.476 0.000) 0.476 2.959 ( 0.000 -4.494 0.000) 4.494 2.970 ( 0.000 3.474 0.000) 3.474 3.008 ( 0.000 4.623 0.000) 4.623 3.185 ( 0.000 2.320 0.000) 2.320 3.233 ( 0.000 4.218 0.000) 4.218 3.340 ( 0.000 1.730 0.000) 1.730 3.375 ( 0.000 1.903 0.000) 1.903 3.514 ( 0.000 0.957 0.000) 0.957 3.524 ( 0.000 0.930 0.000) 0.930 3.703 ( 0.000 -1.797 0.000) 1.797 3.831 ( 0.000 7.586 0.000) 7.586 3.934 ( 0.000 -1.613 0.000) 1.613 4.087 ( 0.000 0.648 0.000) 0.648 4.164 ( 0.000 0.007 0.000) 0.007 4.269 ( 0.000 1.749 0.000) 1.749 4.369 ( 0.000 -2.470 0.000) 2.470 4.478 ( 0.000 -2.777 0.000) 2.777 4.588 ( 0.000 6.716 0.000) 6.716 4.721 ( 0.000 5.217 0.000) 5.217 4.769 ( 0.000 4.472 0.000) 4.472 4.792 ( 0.000 6.632 0.000) 6.632 5.025 ( 0.000 2.670 0.000) 2.670 5.067 ( 0.000 3.560 0.000) 3.560 5.122 ( 0.000 4.691 0.000) 4.691 5.192 ( 0.000 -1.453 0.000) 1.453 5.291 ( 0.000 1.161 0.000) 1.161 5.307 ( 0.000 -3.300 0.000) 3.300 5.721 ( 0.000 4.433 0.000) 4.433 5.780 ( 0.000 2.178 0.000) 2.178 5.909 ( 0.000 3.827 0.000) 3.827 6.043 ( 0.000 6.491 0.000) 6.491 6.448 ( 0.000 0.970 0.000) 0.970 6.565 ( 0.000 3.541 0.000) 3.541 6.963 ( 0.000 15.673 0.000) 15.673 7.000 ( 0.000 10.823 0.000) 10.823 7.290 ( 0.000 8.213 0.000) 8.213 7.339 ( 0.000 6.363 0.000) 6.363 7.618 ( 0.000 25.839 0.000) 25.839 7.652 ( 0.000 12.699 0.000) 12.699 7.952 ( 0.000 2.522 0.000) 2.522 7.975 ( 0.000 -2.793 0.000) 2.793 8.106 ( 0.000 0.525 0.000) 0.525 8.111 ( 0.000 7.141 0.000) 7.141 8.159 ( 0.000 0.405 0.000) 0.405 8.238 ( 0.000 -0.270 0.000) 0.270 8.501 ( 0.000 5.012 0.000) 5.012 8.660 ( 0.000 6.318 0.000) 6.318 8.703 ( 0.000 0.005 0.000) 0.005 8.975 ( 0.000 2.537 0.000) 2.537 9.032 ( 0.000 -0.827 0.000) 0.827 9.168 ( 0.000 3.809 0.000) 3.809 9.817 ( 0.000 7.049 0.000) 7.049 9.827 ( 0.000 17.327 0.000) 17.327 9.933 ( 0.000 10.109 0.000) 10.109 10.188 ( 0.000 2.981 0.000) 2.981 10.324 ( 0.000 7.256 0.000) 7.256 10.376 ( 0.000 3.682 0.000) 3.682 10.664 ( 0.000 11.790 0.000) 11.790 10.788 ( 0.000 8.893 0.000) 8.893 11.079 ( 0.000 5.759 0.000) 5.759 11.180 ( 0.000 0.040 0.000) 0.040 11.238 ( 0.000 0.019 0.000) 0.019 11.345 ( 0.000 -1.588 0.000) 1.588 11.841 ( 0.000 -2.464 0.000) 2.464 11.909 ( 0.000 -7.348 0.000) 7.348 12.033 ( 0.000 4.980 0.000) 4.980 12.098 ( 0.000 3.298 0.000) 3.298 12.201 ( 0.000 -15.034 0.000) 15.034 12.281 ( 0.000 -7.443 0.000) 7.443 12.449 ( 0.000 -16.214 0.000) 16.214 12.456 ( 0.000 -15.263 0.000) 15.263 12.871 ( 0.000 -2.561 0.000) 2.561 12.967 ( 0.000 -1.930 0.000) 1.930 13.042 ( 0.000 -3.962 0.000) 3.962 13.104 ( 0.000 -12.561 0.000) 12.561 13.179 ( 0.000 -8.309 0.000) 8.309 13.226 ( 0.000 -6.208 0.000) 6.208 13.382 ( 0.000 -14.300 0.000) 14.300 13.384 ( 0.000 -16.998 0.000) 16.998 13.665 ( 0.000 -12.085 0.000) 12.085 13.666 ( 0.000 -16.660 0.000) 16.660 13.858 ( 0.000 -9.500 0.000) 9.500 13.892 ( 0.000 -11.812 0.000) 11.812 14.071 ( 0.000 -8.636 0.000) 8.636 14.171 ( 0.000 -10.884 0.000) 10.884 14.272 ( 0.000 -4.548 0.000) 4.548 14.384 ( 0.000 -8.222 0.000) 8.222 17.106 ( 0.000 21.635 0.000) 21.635 17.467 ( 0.000 16.299 0.000) 16.299 17.727 ( 0.000 2.417 0.000) 2.417 17.888 ( 0.000 3.939 0.000) 3.939 19.777 ( 0.000 29.955 0.000) 29.955 19.824 ( 0.000 28.667 0.000) 28.667 20.171 ( 0.000 10.579 0.000) 10.579 20.213 ( 0.000 9.297 0.000) 9.297 21.008 ( 0.000 -9.269 0.000) 9.269 21.026 ( 0.000 -9.431 0.000) 9.431 21.303 ( 0.000 -16.400 0.000) 16.400 21.344 ( 0.000 -17.343 0.000) 17.343 22.453 ( 0.000 6.202 0.000) 6.202 22.478 ( 0.000 4.127 0.000) 4.127 22.802 ( 0.000 0.755 0.000) 0.755 22.900 ( 0.000 -1.256 0.000) 1.256 27.466 ( 0.000 8.604 0.000) 8.604 27.526 ( 0.000 7.946 0.000) 7.946 27.533 ( 0.000 6.055 0.000) 6.055 27.760 ( 0.000 3.574 0.000) 3.574 28.289 ( 0.000 5.914 0.000) 5.914 28.316 ( 0.000 5.332 0.000) 5.332 28.425 ( 0.000 5.345 0.000) 5.345 28.460 ( 0.000 2.452 0.000) 2.452 29.114 ( 0.000 4.373 0.000) 4.373 29.237 ( 0.000 -1.699 0.000) 1.699 29.259 ( 0.000 -4.164 0.000) 4.164 29.279 ( 0.000 -3.447 0.000) 3.447 29.379 ( 0.000 8.361 0.000) 8.361 29.469 ( 0.000 8.239 0.000) 8.239 29.565 ( 0.000 2.013 0.000) 2.013 29.648 ( 0.000 2.440 0.000) 2.440 29.969 ( 0.000 7.430 0.000) 7.430 30.082 ( 0.000 7.042 0.000) 7.042 30.087 ( 0.000 4.526 0.000) 4.526 30.344 ( 0.000 -1.392 0.000) 1.392 30.424 ( 0.000 -2.948 0.000) 2.948 30.428 ( 0.000 -5.484 0.000) 5.484 30.536 ( 0.000 -9.244 0.000) 9.244 30.659 ( 0.000 -8.087 0.000) 8.087 30.727 ( 0.000 -4.416 0.000) 4.416 30.753 ( 0.000 -3.652 0.000) 3.652 30.902 ( 0.000 -6.636 0.000) 6.636 30.912 ( 0.000 -11.244 0.000) 11.244 31.777 ( 0.000 -2.577 0.000) 2.577 31.812 ( 0.000 -4.116 0.000) 4.116 31.890 ( 0.000 -4.296 0.000) 4.296 32.231 ( 0.000 -19.138 0.000) 19.138 ======================= Grid point 21 (14/60) ======================= q-point: ( 0.25 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( -1.096 5.068 -2.234) 5.647 1.682 ( 2.475 9.983 4.304) 11.150 1.846 ( -5.823 9.658 1.667) 11.400 1.941 ( -1.012 6.478 0.242) 6.561 1.990 ( -0.913 -0.184 -0.567) 1.090 2.072 ( -3.159 6.918 -2.695) 8.069 2.118 ( -2.266 1.868 0.934) 3.082 2.169 ( -0.153 5.005 4.017) 6.419 2.216 ( 1.844 3.775 2.101) 4.698 2.268 ( 0.856 3.880 0.197) 3.978 2.341 ( -0.209 1.057 -1.683) 1.999 2.372 ( 0.541 2.411 -1.661) 2.977 2.397 ( 3.871 0.069 1.571) 4.178 2.491 ( 0.735 -1.968 -5.399) 5.793 2.596 ( -1.193 2.068 -4.950) 5.496 2.640 ( 2.831 0.508 3.056) 4.197 2.691 ( 1.210 0.919 0.190) 1.531 2.785 ( 1.558 4.259 -1.272) 4.711 2.809 ( -1.076 4.443 2.728) 5.323 2.892 ( 1.377 2.451 -1.283) 3.091 2.951 ( -0.173 1.173 0.021) 1.186 2.985 ( 4.168 0.240 -0.074) 4.176 3.032 ( 2.391 -1.270 -0.485) 2.750 3.089 ( 8.349 -3.375 0.430) 9.016 3.160 ( 0.600 4.197 3.101) 5.253 3.226 ( -1.113 5.545 -0.239) 5.660 3.299 ( -0.326 1.449 -1.731) 2.281 3.424 ( -1.927 1.853 1.396) 3.016 3.461 ( -0.139 3.476 -0.910) 3.596 3.522 ( 0.009 -3.205 -1.808) 3.679 3.759 ( 2.541 -0.157 0.117) 2.549 3.851 ( 2.407 5.515 -2.303) 6.443 3.897 ( -3.231 -0.912 0.511) 3.396 4.084 ( -0.909 1.908 1.059) 2.363 4.184 ( 1.580 0.202 -1.277) 2.042 4.306 ( 2.599 0.709 1.435) 3.052 4.383 ( 0.541 -2.850 1.033) 3.079 4.495 ( 1.874 2.213 2.276) 3.687 4.548 ( -3.810 0.952 3.837) 5.490 4.654 ( -1.297 7.567 1.899) 7.909 4.724 ( 0.182 3.047 -2.594) 4.005 4.876 ( -3.073 2.792 1.232) 4.331 4.925 ( 4.213 2.872 -1.418) 5.292 5.083 ( -3.887 -0.430 -0.225) 3.917 5.092 ( -5.547 0.941 -3.482) 6.616 5.235 ( -3.109 0.751 -1.379) 3.483 5.285 ( 0.158 1.668 -0.153) 1.682 5.359 ( 7.013 1.876 0.371) 7.269 5.602 ( -1.975 3.134 1.782) 4.110 5.785 ( -2.611 -0.311 -0.964) 2.800 5.944 ( 0.895 1.108 -0.638) 1.560 6.078 ( 1.633 3.996 -0.371) 4.332 6.418 ( -1.738 3.202 0.256) 3.652 6.552 ( 0.449 1.180 0.598) 1.397 6.910 ( -3.092 14.016 0.477) 14.361 6.993 ( -2.467 16.822 -0.141) 17.003 7.173 ( -3.332 16.049 1.291) 16.442 7.402 ( -1.118 22.095 -0.488) 22.129 7.635 ( 0.847 18.443 2.286) 18.603 7.709 ( 4.008 6.840 -3.347) 8.605 7.894 ( -4.469 2.401 2.219) 5.537 7.971 ( -0.046 0.762 -0.547) 0.939 8.062 ( -2.349 0.673 -0.668) 2.533 8.119 ( 1.806 7.048 -2.311) 7.634 8.280 ( 7.401 -1.903 2.380) 8.004 8.294 ( 6.728 -1.897 -1.315) 7.113 8.492 ( -1.179 6.349 -1.115) 6.554 8.609 ( -3.438 -1.920 -0.625) 3.987 8.764 ( 3.399 4.512 0.937) 5.726 8.868 ( -4.581 -0.425 2.065) 5.043 9.128 ( 2.874 0.151 1.392) 3.197 9.174 ( 0.542 1.804 -2.345) 3.008 9.751 ( -2.740 15.138 2.265) 15.549 9.832 ( -0.280 11.863 -1.441) 11.953 9.977 ( 2.608 7.139 -3.493) 8.365 10.182 ( -1.613 2.627 1.858) 3.599 10.255 ( -0.614 5.373 2.444) 5.934 10.465 ( -10.375 9.255 -0.617) 13.917 10.546 ( 7.768 9.438 0.113) 12.224 10.800 ( -2.641 14.298 -0.282) 14.543 11.014 ( -2.029 1.339 -2.797) 3.706 11.173 ( -4.818 1.942 2.344) 5.699 11.324 ( 9.304 0.846 0.226) 9.345 11.434 ( 5.855 -2.017 -1.922) 6.484 11.805 ( -2.608 -2.722 2.691) 4.631 11.891 ( -3.166 -5.739 -0.855) 6.610 11.990 ( -2.518 -2.187 -0.495) 3.372 12.087 ( -1.613 -3.472 1.530) 4.123 12.198 ( 1.199 -9.763 -0.750) 9.865 12.266 ( -1.137 -5.553 0.319) 5.678 12.476 ( 2.834 -13.058 -1.710) 13.471 12.525 ( 3.691 -13.304 -0.208) 13.808 12.874 ( 0.533 -3.456 -0.072) 3.498 12.946 ( -1.474 -2.452 0.929) 3.008 13.036 ( -0.903 -5.230 0.409) 5.323 13.100 ( -0.813 -10.743 0.340) 10.779 13.157 ( -0.359 -7.034 -1.057) 7.122 13.233 ( -0.190 -4.671 1.254) 4.840 13.370 ( -0.907 -18.541 1.160) 18.599 13.432 ( 3.995 -14.640 -3.155) 15.500 13.641 ( -1.796 -13.730 1.058) 13.887 13.669 ( -0.539 -16.176 -0.224) 16.187 13.838 ( -0.345 -7.849 -0.106) 7.858 13.905 ( 0.225 -12.534 0.204) 12.538 14.102 ( 2.058 -8.144 -0.206) 8.403 14.158 ( -0.269 -11.178 0.763) 11.208 14.299 ( 1.970 -5.881 -1.266) 6.330 14.363 ( -1.925 -7.908 0.838) 8.182 17.106 ( -0.014 21.859 0.029) 21.859 17.450 ( -1.317 16.931 0.321) 16.985 17.735 ( 0.826 1.930 -0.098) 2.101 17.913 ( 1.725 2.762 -0.166) 3.261 19.684 ( -3.133 30.781 -0.068) 30.940 19.823 ( -5.822 28.726 0.014) 29.310 20.162 ( 6.444 10.826 0.006) 12.598 20.336 ( 3.872 8.135 0.250) 9.013 20.962 ( -0.881 -8.448 0.109) 8.495 21.057 ( -0.563 -8.531 -0.608) 8.572 21.293 ( 1.390 -18.429 0.152) 18.482 21.390 ( 1.991 -17.615 -0.058) 17.727 22.370 ( -3.458 7.493 0.101) 8.253 22.495 ( -2.355 7.220 -0.022) 7.594 22.784 ( -0.345 -0.797 -0.023) 0.868 22.896 ( -0.718 -1.638 0.017) 1.789 27.468 ( 0.167 8.640 -0.187) 8.643 27.524 ( -0.007 7.488 -1.196) 7.583 27.531 ( -0.317 6.598 1.315) 6.735 27.757 ( -0.161 3.711 -0.027) 3.715 28.285 ( -0.331 6.066 -0.211) 6.078 28.314 ( -0.179 5.205 0.170) 5.211 28.429 ( 0.366 5.458 -0.069) 5.471 28.472 ( 0.894 2.130 0.195) 2.318 29.128 ( 1.196 3.480 0.423) 3.704 29.231 ( -0.337 -1.679 -1.042) 2.004 29.250 ( -0.870 -3.544 0.165) 3.653 29.270 ( -0.833 -2.776 0.124) 2.901 29.392 ( 1.167 8.628 0.469) 8.719 29.454 ( -1.216 7.725 -0.228) 7.824 29.573 ( 0.856 2.494 -0.504) 2.684 29.634 ( -1.424 3.537 0.871) 3.911 29.968 ( 0.024 6.881 -0.222) 6.885 30.073 ( -0.669 7.325 0.113) 7.356 30.089 ( 0.106 4.333 -0.019) 4.334 30.309 ( -2.601 0.267 0.810) 2.737 30.412 ( -0.740 -5.958 0.346) 6.014 30.439 ( 0.860 -5.425 -1.158) 5.614 30.572 ( 2.822 -7.558 0.200) 8.071 30.665 ( 0.311 -7.694 -0.038) 7.701 30.736 ( 0.991 -4.131 0.170) 4.251 30.794 ( 2.797 -6.917 -0.532) 7.480 30.862 ( -2.421 -7.270 -0.279) 7.668 30.923 ( -0.033 -10.038 -0.131) 10.039 31.785 ( 0.636 -3.058 0.418) 3.152 31.808 ( -0.220 -3.787 0.410) 3.815 31.909 ( 1.431 -5.039 0.025) 5.238 32.222 ( -0.683 -18.499 -0.357) 18.515 ======================= Grid point 22 (15/60) ======================= q-point: (-0.50 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( -0.000 7.984 0.000) 7.984 1.688 ( 0.000 15.503 -0.000) 15.503 1.767 ( 0.000 7.816 -0.000) 7.816 1.922 ( 0.000 8.559 0.000) 8.559 1.975 ( 0.000 4.901 -0.000) 4.901 2.017 ( 0.000 2.258 0.000) 2.258 2.104 ( 0.000 2.987 0.000) 2.987 2.173 ( 0.000 1.944 -0.000) 1.944 2.267 ( 0.000 7.087 0.000) 7.087 2.270 ( -0.000 5.114 -0.000) 5.114 2.312 ( 0.000 -2.931 -0.000) 2.931 2.361 ( 0.000 0.426 0.000) 0.426 2.463 ( 0.000 -3.995 -0.000) 3.995 2.524 ( 0.000 5.416 0.000) 5.416 2.597 ( 0.000 -1.940 -0.000) 1.940 2.620 ( -0.000 5.070 0.000) 5.070 2.764 ( -0.236 4.665 -3.114) 5.614 2.764 ( 0.236 4.861 3.114) 5.778 2.837 ( 0.000 3.151 0.000) 3.151 2.861 ( -0.000 -5.069 0.000) 5.069 2.949 ( 0.000 2.212 -0.000) 2.212 3.032 ( -0.000 1.512 0.000) 1.512 3.041 ( 0.000 -0.950 0.000) 0.950 3.163 ( 0.000 -0.633 0.000) 0.633 3.227 ( 0.000 6.571 -0.000) 6.571 3.250 ( 0.000 -0.027 0.000) 0.027 3.312 ( -0.000 2.154 0.000) 2.154 3.395 ( 0.000 2.082 0.000) 2.082 3.404 ( 0.000 -0.674 0.000) 0.674 3.556 ( 0.000 -2.667 0.000) 2.667 3.764 ( 0.000 2.879 -0.000) 2.879 3.854 ( 0.000 0.943 0.000) 0.943 3.895 ( 0.000 0.536 0.000) 0.536 4.065 ( 0.000 3.769 -0.000) 3.769 4.211 ( 0.000 -1.169 -0.000) 1.169 4.290 ( 0.000 2.393 0.000) 2.393 4.439 ( 0.000 2.135 0.000) 2.135 4.461 ( 0.000 1.898 -0.000) 1.898 4.567 ( 0.000 -1.867 0.000) 1.867 4.699 ( 0.000 1.011 -0.000) 1.011 4.703 ( 0.000 3.405 0.000) 3.405 4.835 ( 0.000 2.536 0.000) 2.536 4.979 ( 0.000 -2.522 0.000) 2.522 5.023 ( 0.000 4.249 -0.000) 4.249 5.067 ( 0.000 0.336 0.000) 0.336 5.100 ( -0.000 -0.043 0.000) 0.043 5.276 ( 0.000 3.711 0.000) 3.711 5.412 ( 0.000 1.790 -0.000) 1.790 5.682 ( 0.000 1.056 0.000) 1.056 5.731 ( 0.000 -1.402 0.000) 1.402 5.937 ( 0.000 -0.638 -0.000) 0.638 6.061 ( 0.000 -4.140 0.000) 4.140 6.459 ( 0.000 4.780 0.000) 4.780 6.532 ( 0.000 6.142 0.000) 6.142 6.886 ( 0.000 22.326 0.000) 22.326 6.937 ( 0.000 15.515 -0.000) 15.515 7.163 ( 0.000 17.571 0.000) 17.571 7.361 ( 0.000 25.484 -0.000) 25.484 7.644 ( -0.000 16.846 -0.000) 16.846 7.749 ( 0.000 12.232 -0.000) 12.232 7.841 ( 0.000 -1.375 0.000) 1.375 7.971 ( 0.000 4.273 -0.000) 4.273 8.038 ( 0.000 -3.295 0.000) 3.295 8.136 ( 0.000 10.980 -0.000) 10.980 8.389 ( -0.000 -5.028 -0.000) 5.028 8.418 ( 0.000 3.454 0.000) 3.454 8.448 ( 0.000 0.623 0.000) 0.623 8.563 ( -0.000 -4.313 0.000) 4.313 8.787 ( -0.000 3.169 0.000) 3.169 8.837 ( 0.000 -3.117 -0.000) 3.117 9.156 ( -0.000 -2.865 -0.000) 2.865 9.158 ( 0.000 5.794 0.000) 5.794 9.761 ( -0.000 14.118 -0.000) 14.118 9.803 ( 0.000 14.954 0.000) 14.954 10.001 ( 0.000 1.112 0.000) 1.112 10.168 ( -0.000 1.306 -0.000) 1.306 10.269 ( -0.000 7.293 -0.000) 7.293 10.312 ( 0.000 13.140 0.000) 13.140 10.700 ( -0.000 12.344 0.000) 12.344 10.714 ( 0.000 13.820 -0.000) 13.820 10.993 ( 0.000 -0.847 -0.000) 0.847 11.110 ( 0.000 4.571 0.000) 4.571 11.470 ( 0.000 4.555 0.000) 4.555 11.479 ( -0.000 -5.597 -0.000) 5.597 11.749 ( 0.000 -3.782 -0.000) 3.782 11.856 ( 0.000 -6.544 0.000) 6.544 11.966 ( 0.000 -8.118 0.000) 8.118 12.061 ( 0.000 -3.961 0.000) 3.961 12.231 ( -0.000 -3.728 0.000) 3.728 12.241 ( 0.000 -7.969 -0.000) 7.969 12.514 ( 0.000 -11.148 0.000) 11.148 12.559 ( 0.000 -11.827 -0.000) 11.827 12.886 ( 0.000 -4.124 0.000) 4.124 12.932 ( 0.000 -2.262 0.000) 2.262 13.018 ( 0.000 -6.897 0.000) 6.897 13.089 ( 0.000 -8.616 0.000) 8.616 13.160 ( 0.000 -6.618 0.000) 6.618 13.226 ( 0.000 -4.019 -0.000) 4.019 13.361 ( 0.000 -19.544 0.000) 19.544 13.486 ( 0.000 -13.463 -0.000) 13.463 13.609 ( -0.000 -15.909 0.000) 15.909 13.660 ( 0.000 -15.825 0.000) 15.825 13.843 ( 0.000 -6.835 0.000) 6.835 13.902 ( 0.000 -12.777 0.000) 12.777 14.118 ( 0.000 -9.695 0.000) 9.695 14.170 ( 0.000 -10.170 -0.000) 10.170 14.323 ( 0.000 -6.555 0.000) 6.555 14.334 ( 0.000 -7.774 -0.000) 7.774 17.106 ( 0.000 22.081 0.000) 22.081 17.434 ( 0.000 17.496 0.000) 17.496 17.748 ( 0.000 1.087 -0.000) 1.087 17.933 ( -0.000 2.025 0.000) 2.025 19.681 ( 0.000 30.698 -0.000) 30.698 19.715 ( 0.000 29.670 0.000) 29.670 20.308 ( -0.000 8.934 0.000) 8.934 20.314 ( 0.000 9.146 -0.000) 9.146 20.982 ( 0.000 -6.699 0.000) 6.699 21.017 ( -0.000 -9.590 -0.000) 9.590 21.334 ( 0.000 -18.247 0.000) 18.247 21.398 ( 0.000 -19.292 0.000) 19.292 22.349 ( -0.000 9.547 0.000) 9.547 22.435 ( 0.000 9.057 0.000) 9.057 22.791 ( 0.000 -1.275 -0.000) 1.275 22.882 ( 0.000 -2.427 0.000) 2.427 27.470 ( 0.000 8.672 0.000) 8.672 27.524 ( -0.000 6.621 0.000) 6.621 27.527 ( 0.000 7.564 -0.000) 7.564 27.755 ( 0.000 3.827 0.000) 3.827 28.280 ( 0.000 6.149 0.000) 6.149 28.312 ( 0.000 5.248 -0.000) 5.248 28.434 ( 0.000 5.295 0.000) 5.295 28.484 ( 0.000 1.965 -0.000) 1.965 29.146 ( 0.000 2.230 0.000) 2.230 29.229 ( 0.000 -2.035 -0.000) 2.035 29.236 ( 0.000 -2.409 0.000) 2.409 29.257 ( 0.000 -1.599 -0.000) 1.599 29.414 ( 0.000 9.607 0.000) 9.607 29.433 ( 0.000 6.190 0.000) 6.190 29.593 ( 0.000 2.827 -0.000) 2.827 29.606 ( -0.000 4.838 0.000) 4.838 29.969 ( 0.000 6.217 -0.000) 6.217 30.065 ( 0.000 7.557 0.000) 7.557 30.090 ( 0.000 4.166 -0.000) 4.166 30.279 ( 0.000 1.254 0.000) 1.254 30.405 ( 0.000 -6.469 0.000) 6.469 30.448 ( 0.000 -6.565 -0.000) 6.565 30.608 ( 0.000 -5.456 0.000) 5.456 30.668 ( 0.000 -9.396 0.000) 9.396 30.768 ( 0.000 -3.480 -0.000) 3.480 30.789 ( -0.000 -8.101 -0.000) 8.101 30.855 ( 0.000 -7.959 0.000) 7.959 30.917 ( 0.000 -10.023 -0.000) 10.023 31.794 ( 0.000 -3.557 -0.000) 3.557 31.806 ( 0.000 -3.606 0.000) 3.606 31.927 ( 0.000 -5.657 0.000) 5.657 32.213 ( 0.000 -17.825 0.000) 17.825 ======================= Grid point 25 (16/60) ======================= q-point: ( 0.00 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 0.000 2.331 0.000) 2.331 1.727 ( 0.000 -1.072 0.000) 1.072 1.934 ( 0.000 4.577 0.000) 4.577 1.991 ( 0.000 1.600 0.000) 1.600 2.077 ( 0.000 -0.776 0.000) 0.776 2.089 ( 0.000 -1.173 0.000) 1.173 2.179 ( 0.000 2.419 0.000) 2.419 2.185 ( 0.000 0.189 0.000) 0.189 2.270 ( 0.000 3.954 0.000) 3.954 2.307 ( 0.000 -1.291 0.000) 1.291 2.328 ( 0.000 0.017 0.000) 0.017 2.362 ( 0.000 -1.200 0.000) 1.200 2.482 ( 0.000 3.700 0.000) 3.700 2.531 ( 0.000 0.393 0.000) 0.393 2.578 ( 0.000 3.728 0.000) 3.728 2.663 ( 0.000 -7.996 0.000) 7.996 2.735 ( 0.000 5.330 0.000) 5.330 2.790 ( 0.000 -0.523 0.000) 0.523 2.792 ( 0.000 3.678 0.000) 3.678 2.868 ( 0.000 -2.322 0.000) 2.322 2.923 ( 0.000 1.213 0.000) 1.213 2.942 ( 0.000 -0.073 0.000) 0.073 3.046 ( 0.000 3.385 0.000) 3.385 3.073 ( 0.000 0.919 0.000) 0.919 3.268 ( 0.000 4.825 0.000) 4.825 3.299 ( 0.000 1.589 0.000) 1.589 3.397 ( 0.000 3.641 0.000) 3.641 3.406 ( 0.000 1.946 0.000) 1.946 3.503 ( 0.000 -2.792 0.000) 2.792 3.504 ( 0.000 -2.639 0.000) 2.639 3.717 ( 0.000 4.335 0.000) 4.335 3.836 ( 0.000 -6.724 0.000) 6.724 4.011 ( 0.000 10.070 0.000) 10.070 4.133 ( 0.000 2.173 0.000) 2.173 4.169 ( 0.000 0.181 0.000) 0.181 4.225 ( 0.000 -9.889 0.000) 9.889 4.314 ( 0.000 2.993 0.000) 2.993 4.392 ( 0.000 -4.651 0.000) 4.651 4.728 ( 0.000 6.288 0.000) 6.288 4.789 ( 0.000 0.829 0.000) 0.829 4.851 ( 0.000 3.461 0.000) 3.461 4.874 ( 0.000 1.795 0.000) 1.795 5.051 ( 0.000 -0.024 0.000) 0.024 5.071 ( 0.000 -2.842 0.000) 2.842 5.149 ( 0.000 0.504 0.000) 0.504 5.170 ( 0.000 -0.284 0.000) 0.284 5.271 ( 0.000 0.735 0.000) 0.735 5.302 ( 0.000 -1.095 0.000) 1.095 5.799 ( 0.000 0.884 0.000) 0.884 5.803 ( 0.000 2.507 0.000) 2.507 5.967 ( 0.000 4.473 0.000) 4.473 6.094 ( 0.000 -4.332 0.000) 4.332 6.493 ( 0.000 5.603 0.000) 5.603 6.595 ( 0.000 -2.322 0.000) 2.322 7.094 ( 0.000 2.629 0.000) 2.629 7.125 ( 0.000 0.933 0.000) 0.933 7.486 ( 0.000 10.109 0.000) 10.109 7.486 ( 0.000 10.118 0.000) 10.118 7.784 ( 0.000 -4.299 0.000) 4.299 7.823 ( 0.000 -9.174 0.000) 9.174 7.949 ( 0.000 3.877 0.000) 3.877 8.035 ( 0.000 -1.938 0.000) 1.938 8.127 ( 0.000 13.212 0.000) 13.212 8.160 ( 0.000 4.763 0.000) 4.763 8.315 ( 0.000 9.723 0.000) 9.723 8.357 ( 0.000 1.103 0.000) 1.103 8.595 ( 0.000 7.972 0.000) 7.972 8.676 ( 0.000 -4.383 0.000) 4.383 8.740 ( 0.000 3.130 0.000) 3.130 8.928 ( 0.000 -9.908 0.000) 9.908 9.067 ( 0.000 7.022 0.000) 7.022 9.174 ( 0.000 -2.846 0.000) 2.846 9.986 ( 0.000 8.220 0.000) 8.220 10.035 ( 0.000 2.977 0.000) 2.977 10.080 ( 0.000 6.114 0.000) 6.114 10.206 ( 0.000 -4.085 0.000) 4.085 10.549 ( 0.000 14.124 0.000) 14.124 10.574 ( 0.000 16.993 0.000) 16.993 10.822 ( 0.000 -5.703 0.000) 5.703 10.836 ( 0.000 2.119 0.000) 2.119 11.156 ( 0.000 -1.391 0.000) 1.391 11.175 ( 0.000 -2.380 0.000) 2.380 11.260 ( 0.000 5.046 0.000) 5.046 11.326 ( 0.000 -0.088 0.000) 0.088 11.731 ( 0.000 -6.032 0.000) 6.032 11.761 ( 0.000 -6.003 0.000) 6.003 11.994 ( 0.000 -3.192 0.000) 3.192 12.031 ( 0.000 -5.214 0.000) 5.214 12.041 ( 0.000 -1.195 0.000) 1.195 12.145 ( 0.000 -10.981 0.000) 10.981 12.237 ( 0.000 -2.959 0.000) 2.959 12.246 ( 0.000 -5.160 0.000) 5.160 12.860 ( 0.000 1.301 0.000) 1.301 12.898 ( 0.000 -4.058 0.000) 4.058 12.993 ( 0.000 -0.218 0.000) 0.218 12.996 ( 0.000 -1.394 0.000) 1.394 13.078 ( 0.000 -2.805 0.000) 2.805 13.089 ( 0.000 -4.954 0.000) 4.954 13.155 ( 0.000 -4.971 0.000) 4.971 13.182 ( 0.000 -6.505 0.000) 6.505 13.503 ( 0.000 -2.042 0.000) 2.042 13.509 ( 0.000 -3.472 0.000) 3.472 13.721 ( 0.000 -3.761 0.000) 3.761 13.737 ( 0.000 -4.755 0.000) 4.755 13.964 ( 0.000 -1.957 0.000) 1.957 14.005 ( 0.000 -5.882 0.000) 5.882 14.231 ( 0.000 0.018 0.000) 0.018 14.268 ( 0.000 -3.853 0.000) 3.853 17.462 ( 0.000 14.850 0.000) 14.850 17.671 ( 0.000 -5.171 0.000) 5.171 17.739 ( 0.000 8.834 0.000) 8.834 17.881 ( 0.000 -4.310 0.000) 4.310 20.303 ( 0.000 21.377 0.000) 21.377 20.332 ( 0.000 19.726 0.000) 19.726 20.421 ( 0.000 14.224 0.000) 14.224 20.441 ( 0.000 12.348 0.000) 12.348 20.812 ( 0.000 -9.249 0.000) 9.249 20.827 ( 0.000 -9.317 0.000) 9.317 20.951 ( 0.000 -17.947 0.000) 17.947 20.967 ( 0.000 -19.787 0.000) 19.787 22.553 ( 0.000 2.978 0.000) 2.978 22.554 ( 0.000 3.356 0.000) 3.356 22.800 ( 0.000 0.140 0.000) 0.140 22.843 ( 0.000 -3.751 0.000) 3.751 27.587 ( 0.000 3.597 0.000) 3.597 27.608 ( 0.000 1.465 0.000) 1.465 27.676 ( 0.000 7.082 0.000) 7.082 27.773 ( 0.000 -2.355 0.000) 2.355 28.355 ( 0.000 1.509 0.000) 1.509 28.365 ( 0.000 0.516 0.000) 0.516 28.485 ( 0.000 1.322 0.000) 1.322 28.489 ( 0.000 0.663 0.000) 0.663 29.162 ( 0.000 1.328 0.000) 1.328 29.194 ( 0.000 -2.362 0.000) 2.362 29.210 ( 0.000 -0.598 0.000) 0.598 29.221 ( 0.000 -1.785 0.000) 1.785 29.540 ( 0.000 6.408 0.000) 6.408 29.585 ( 0.000 2.364 0.000) 2.364 29.634 ( 0.000 3.979 0.000) 3.979 29.678 ( 0.000 -0.101 0.000) 0.101 30.102 ( 0.000 5.521 0.000) 5.521 30.150 ( 0.000 1.125 0.000) 1.125 30.192 ( 0.000 4.229 0.000) 4.229 30.266 ( 0.000 -4.618 0.000) 4.618 30.374 ( 0.000 -1.258 0.000) 1.258 30.381 ( 0.000 -2.387 0.000) 2.387 30.424 ( 0.000 -0.169 0.000) 0.169 30.502 ( 0.000 -7.242 0.000) 7.242 30.681 ( 0.000 -0.083 0.000) 0.083 30.715 ( 0.000 -1.804 0.000) 1.804 30.761 ( 0.000 -2.842 0.000) 2.842 30.794 ( 0.000 -4.229 0.000) 4.229 31.763 ( 0.000 0.461 0.000) 0.461 31.767 ( 0.000 -0.691 0.000) 0.691 31.837 ( 0.000 0.161 0.000) 0.161 31.944 ( 0.000 -10.397 0.000) 10.397 ======================= Grid point 26 (17/60) ======================= q-point: ( 0.25 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 3.854 7.688 -3.711) 9.367 1.806 ( 4.566 -1.444 -1.837) 5.130 1.944 ( 0.629 4.444 1.622) 4.773 2.009 ( 1.961 2.341 -0.869) 3.175 2.062 ( -1.552 3.907 3.347) 5.374 2.119 ( 1.294 -0.986 -1.589) 2.274 2.154 ( 0.370 0.326 0.613) 0.787 2.201 ( 0.083 -2.825 1.766) 3.332 2.274 ( -3.001 4.318 0.532) 5.285 2.307 ( 0.574 -1.322 0.894) 1.696 2.321 ( 0.247 -0.576 -0.938) 1.128 2.368 ( 1.185 -1.358 1.019) 2.070 2.473 ( -4.435 7.120 3.591) 9.125 2.534 ( 0.089 4.217 -2.012) 4.673 2.594 ( 1.130 -1.943 -2.193) 3.140 2.629 ( 0.447 -2.499 0.323) 2.559 2.733 ( 1.485 2.639 2.254) 3.774 2.788 ( 1.944 -2.276 -0.483) 3.032 2.841 ( 0.704 0.133 0.978) 1.212 2.876 ( 3.659 -2.809 -0.989) 4.718 2.982 ( 2.099 1.491 1.221) 2.850 2.993 ( 1.632 0.830 0.369) 1.868 3.054 ( 1.439 2.218 -0.847) 2.776 3.071 ( 1.295 0.339 -1.707) 2.169 3.255 ( -0.730 5.380 0.918) 5.507 3.322 ( 1.202 2.822 -1.714) 3.513 3.347 ( 0.396 1.792 -2.153) 2.829 3.396 ( -4.666 -5.456 0.330) 7.187 3.494 ( -0.299 3.235 0.553) 3.296 3.528 ( 1.898 1.001 -0.382) 2.179 3.754 ( 2.554 0.843 1.217) 2.952 3.819 ( -1.112 -5.167 0.507) 5.310 3.992 ( -1.564 8.113 -2.446) 8.616 4.136 ( -1.691 -4.656 -2.604) 5.597 4.177 ( 2.143 4.717 2.698) 5.841 4.280 ( 3.675 -5.074 0.084) 6.266 4.350 ( 4.288 3.299 1.168) 5.535 4.437 ( 4.281 -4.809 1.485) 6.607 4.651 ( -5.004 6.243 0.608) 8.024 4.738 ( -4.357 -0.886 -3.386) 5.589 4.810 ( -3.789 5.852 1.556) 7.143 4.878 ( -3.782 -0.808 2.871) 4.817 4.954 ( 0.889 -0.055 -1.163) 1.465 4.987 ( -3.803 -4.589 -2.079) 6.312 5.150 ( -4.123 2.845 -0.600) 5.045 5.213 ( -4.557 -2.950 -1.249) 5.570 5.320 ( 2.941 2.257 1.203) 3.897 5.363 ( 5.344 -1.515 0.948) 5.635 5.687 ( -3.057 5.573 0.595) 6.385 5.772 ( -2.990 -1.904 -2.399) 4.280 5.943 ( -2.247 0.244 -0.438) 2.302 6.015 ( -6.360 -6.724 2.593) 9.612 6.530 ( 2.402 5.824 -0.878) 6.361 6.582 ( 0.599 0.504 0.658) 1.023 7.160 ( 7.186 12.629 0.778) 14.551 7.288 ( 5.741 7.176 -0.267) 9.193 7.441 ( -2.778 7.273 0.420) 7.796 7.498 ( 2.484 0.543 -0.645) 2.623 7.782 ( 0.621 -4.197 1.107) 4.384 7.829 ( 1.304 -5.277 -1.308) 5.591 7.952 ( -0.356 6.608 1.463) 6.778 8.052 ( 1.672 1.591 -0.857) 2.462 8.144 ( 0.790 11.524 -0.070) 11.551 8.198 ( 3.730 3.400 -0.794) 5.109 8.295 ( -1.355 7.434 -0.677) 7.587 8.368 ( 0.676 -0.016 -2.141) 2.245 8.576 ( -2.114 3.237 0.735) 3.935 8.623 ( -4.718 -0.075 1.301) 4.895 8.758 ( 1.391 0.713 1.693) 2.304 8.911 ( -1.505 -3.144 1.027) 3.633 9.031 ( -2.107 -0.066 -2.542) 3.302 9.155 ( -1.702 -5.282 0.915) 5.624 9.971 ( -1.981 6.705 0.849) 7.043 10.015 ( -0.313 3.419 -1.871) 3.910 10.095 ( 0.473 7.363 -0.984) 7.443 10.217 ( 0.223 -1.758 1.738) 2.482 10.467 ( -1.120 14.897 0.202) 14.941 10.633 ( -5.749 2.059 -0.279) 6.113 10.760 ( 7.233 13.822 0.998) 15.632 10.952 ( 2.764 -1.558 -1.204) 3.393 11.128 ( -2.031 8.529 -1.053) 8.830 11.193 ( -0.918 0.590 1.644) 1.973 11.255 ( 2.475 -4.206 -0.437) 4.900 11.383 ( 4.497 -5.047 0.148) 6.762 11.685 ( -2.165 -7.212 0.684) 7.561 11.720 ( -5.006 -8.287 -0.339) 9.687 11.902 ( -6.449 -1.636 -0.982) 6.725 11.960 ( -4.141 -5.839 1.361) 7.286 12.074 ( 3.030 -1.023 -1.232) 3.427 12.189 ( 1.861 -8.592 1.152) 8.867 12.286 ( 4.654 -3.139 -0.904) 5.686 12.318 ( 3.484 -5.743 0.248) 6.721 12.865 ( 0.304 1.931 0.429) 2.002 12.900 ( 0.225 -2.489 0.531) 2.555 12.981 ( 0.085 -1.146 -0.853) 1.431 13.001 ( -1.141 -1.746 -0.631) 2.179 13.046 ( -1.115 -3.356 0.392) 3.558 13.086 ( -0.877 -7.889 0.571) 7.958 13.174 ( 1.423 -1.247 0.295) 1.915 13.224 ( 3.550 -6.221 -1.696) 7.360 13.480 ( -2.009 -2.390 0.942) 3.261 13.496 ( -1.411 -3.529 0.075) 3.801 13.721 ( 0.081 -3.863 -0.416) 3.887 13.736 ( -0.060 -4.766 0.094) 4.768 13.983 ( 1.121 -3.590 -0.182) 3.766 13.993 ( -0.501 -4.963 0.911) 5.071 14.239 ( 0.692 -0.764 -0.534) 1.161 14.260 ( -0.636 -2.935 0.083) 3.004 17.464 ( 0.169 14.888 -0.042) 14.889 17.674 ( 0.147 -4.923 -0.027) 4.926 17.733 ( -0.351 9.075 0.162) 9.083 17.888 ( 0.499 -5.056 -0.036) 5.081 20.241 ( -2.049 24.220 -0.042) 24.307 20.318 ( -4.930 18.068 0.001) 18.728 20.430 ( 5.202 16.123 0.046) 16.942 20.521 ( 2.560 8.695 0.053) 9.064 20.773 ( -0.504 -9.353 -0.025) 9.366 20.879 ( -2.802 -11.923 -0.215) 12.250 20.906 ( 3.364 -15.848 0.145) 16.202 21.015 ( 1.389 -19.088 -0.054) 19.138 22.522 ( -0.210 7.530 0.074) 7.533 22.605 ( 1.897 1.751 -0.009) 2.582 22.748 ( -3.641 -0.265 -0.035) 3.651 22.823 ( -2.104 -5.277 0.006) 5.681 27.589 ( 0.128 3.505 -0.147) 3.511 27.607 ( -0.058 1.598 0.072) 1.601 27.675 ( -0.092 7.109 0.028) 7.110 27.772 ( -0.045 -2.345 0.013) 2.346 28.353 ( -0.112 1.638 -0.099) 1.645 28.364 ( -0.088 0.561 0.108) 0.578 28.487 ( 0.230 1.226 -0.010) 1.247 28.494 ( 0.311 0.402 0.027) 0.510 29.165 ( 0.220 1.010 0.072) 1.036 29.192 ( -0.177 -2.053 -0.050) 2.061 29.208 ( -0.208 -0.469 -0.048) 0.515 29.220 ( -0.112 -1.739 0.026) 1.743 29.543 ( 0.321 5.597 0.086) 5.607 29.573 ( -0.951 2.885 -0.013) 3.037 29.645 ( 1.012 3.849 -0.090) 3.981 29.681 ( 0.032 0.591 0.019) 0.592 30.096 ( -0.520 5.367 -0.008) 5.392 30.147 ( -0.251 0.756 0.062) 0.799 30.189 ( -0.165 4.389 -0.038) 4.393 30.254 ( -0.823 -3.885 0.155) 3.974 30.363 ( -0.161 0.313 -0.101) 0.366 30.389 ( -0.528 -0.655 -0.085) 0.846 30.445 ( 2.193 -3.656 0.120) 4.265 30.506 ( 0.009 -7.647 0.047) 7.647 30.685 ( 0.416 -0.450 0.218) 0.650 30.722 ( 0.607 -2.834 -0.313) 2.915 30.751 ( -0.795 -1.609 -0.385) 1.836 30.791 ( -0.341 -4.321 0.283) 4.343 31.765 ( 0.185 0.230 0.255) 0.390 31.769 ( 0.150 -0.350 -0.109) 0.396 31.846 ( 0.661 -0.339 0.031) 0.743 31.944 ( 0.021 -10.038 -0.124) 10.039 ======================= Grid point 27 (18/60) ======================= q-point: (-0.50 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 0.000 8.167 0.000) 8.167 1.860 ( 0.000 -0.621 -0.000) 0.621 1.941 ( -0.000 9.150 0.000) 9.150 2.040 ( 0.000 1.217 0.000) 1.217 2.061 ( 0.000 4.231 0.000) 4.231 2.111 ( 0.000 7.112 0.000) 7.112 2.168 ( 0.000 -1.142 0.000) 1.142 2.188 ( 0.000 -0.429 -0.000) 0.429 2.220 ( -0.000 0.903 -0.000) 0.903 2.318 ( 0.000 -2.405 0.000) 2.405 2.332 ( 0.000 1.939 0.000) 1.939 2.376 ( 0.000 0.282 0.000) 0.282 2.417 ( -0.000 1.884 -0.000) 1.884 2.532 ( -0.000 -6.820 0.000) 6.820 2.599 ( 0.000 1.147 -0.000) 1.147 2.631 ( 0.000 -3.565 -0.000) 3.565 2.776 ( 0.000 2.650 0.000) 2.650 2.805 ( 0.000 -0.429 0.000) 0.429 2.891 ( 0.000 5.218 0.000) 5.218 2.923 ( 0.000 3.020 0.000) 3.020 2.982 ( 0.000 0.970 -0.000) 0.970 2.993 ( 0.000 -1.742 0.000) 1.742 3.060 ( 0.000 1.823 0.000) 1.823 3.122 ( 0.000 -3.799 -0.000) 3.799 3.260 ( 0.000 1.043 -0.000) 1.043 3.304 ( 0.000 -3.556 0.000) 3.556 3.350 ( 0.000 2.906 0.000) 2.906 3.366 ( 0.000 1.833 -0.000) 1.833 3.473 ( 0.000 5.352 -0.000) 5.352 3.556 ( 0.000 -1.575 -0.000) 1.575 3.789 ( 0.000 0.213 0.000) 0.213 3.809 ( 0.000 -2.775 0.000) 2.775 3.966 ( 0.000 6.388 0.000) 6.388 4.106 ( 0.000 -6.315 0.000) 6.315 4.203 ( 0.000 6.352 0.000) 6.352 4.305 ( 0.000 -2.406 -0.000) 2.406 4.476 ( -0.000 1.898 -0.000) 1.898 4.492 ( 0.000 0.359 0.000) 0.359 4.589 ( 0.000 4.179 0.000) 4.179 4.671 ( 0.000 -3.430 0.000) 3.430 4.753 ( 0.000 2.586 0.000) 2.586 4.812 ( 0.000 -3.218 0.000) 3.218 4.971 ( 0.000 1.878 -0.000) 1.878 5.036 ( -0.000 -3.382 0.000) 3.382 5.056 ( 0.000 -0.513 0.000) 0.513 5.064 ( -0.000 -1.400 -0.000) 1.400 5.349 ( 0.000 3.779 0.000) 3.779 5.410 ( 0.000 -2.067 -0.000) 2.067 5.720 ( 0.000 2.114 0.000) 2.114 5.728 ( -0.000 0.709 -0.000) 0.709 5.907 ( 0.000 -1.553 -0.000) 1.553 5.938 ( 0.000 -5.487 -0.000) 5.487 6.552 ( 0.000 4.592 -0.000) 4.592 6.604 ( -0.000 0.111 0.000) 0.111 7.270 ( -0.000 15.864 0.000) 15.864 7.279 ( 0.000 16.556 -0.000) 16.556 7.426 ( 0.000 5.811 0.000) 5.811 7.544 ( 0.000 -6.323 0.000) 6.323 7.820 ( -0.000 -2.143 -0.000) 2.143 7.839 ( 0.000 -1.413 0.000) 1.413 7.940 ( 0.000 11.415 0.000) 11.415 8.093 ( -0.000 4.655 -0.000) 4.655 8.136 ( -0.000 14.049 0.000) 14.049 8.248 ( 0.000 -2.326 -0.000) 2.326 8.292 ( 0.000 0.602 -0.000) 0.602 8.372 ( -0.000 -2.689 -0.000) 2.689 8.530 ( 0.000 0.177 0.000) 0.177 8.558 ( -0.000 -1.203 -0.000) 1.203 8.790 ( -0.000 2.478 -0.000) 2.478 8.879 ( 0.000 6.489 0.000) 6.489 9.010 ( 0.000 -7.687 -0.000) 7.687 9.135 ( 0.000 -7.813 0.000) 7.813 9.950 ( 0.000 5.532 -0.000) 5.532 10.002 ( -0.000 -0.091 0.000) 0.091 10.097 ( 0.000 12.479 0.000) 12.479 10.217 ( -0.000 0.941 -0.000) 0.941 10.490 ( -0.000 11.342 0.000) 11.342 10.543 ( 0.000 6.614 -0.000) 6.614 10.883 ( 0.000 7.258 0.000) 7.258 10.944 ( 0.000 3.947 -0.000) 3.947 11.101 ( 0.000 16.066 0.000) 16.066 11.171 ( 0.000 1.201 -0.000) 1.201 11.306 ( 0.000 -10.550 0.000) 10.550 11.448 ( -0.000 -9.613 0.000) 9.613 11.646 ( 0.000 -5.600 0.000) 5.600 11.662 ( 0.000 -7.892 -0.000) 7.892 11.823 ( 0.000 -1.987 0.000) 1.987 11.908 ( 0.000 -8.220 0.000) 8.220 12.117 ( 0.000 -0.621 0.000) 0.621 12.208 ( 0.000 -5.355 -0.000) 5.355 12.346 ( -0.000 -5.400 0.000) 5.400 12.347 ( 0.000 -4.859 -0.000) 4.859 12.865 ( 0.000 1.908 0.000) 1.908 12.912 ( 0.000 -2.297 0.000) 2.297 12.975 ( 0.000 0.130 0.000) 0.130 12.983 ( 0.000 -1.549 -0.000) 1.549 13.043 ( 0.000 -4.887 -0.000) 4.887 13.072 ( 0.000 -8.858 0.000) 8.858 13.192 ( 0.000 1.390 -0.000) 1.390 13.276 ( 0.000 -7.017 0.000) 7.017 13.446 ( -0.000 -1.609 0.000) 1.609 13.477 ( 0.000 -4.274 -0.000) 4.274 13.723 ( 0.000 -4.809 0.000) 4.809 13.734 ( 0.000 -4.518 0.000) 4.518 13.979 ( 0.000 -3.345 0.000) 3.345 14.007 ( 0.000 -5.761 -0.000) 5.761 14.249 ( -0.000 -1.672 0.000) 1.672 14.250 ( 0.000 -1.639 0.000) 1.639 17.466 ( 0.000 14.927 0.000) 14.927 17.675 ( 0.000 -3.890 -0.000) 3.890 17.730 ( 0.000 8.422 0.000) 8.422 17.894 ( -0.000 -5.694 0.000) 5.694 20.233 ( 0.000 23.529 -0.000) 23.529 20.253 ( 0.000 22.962 0.000) 22.962 20.507 ( -0.000 9.677 0.000) 9.677 20.524 ( 0.000 10.216 -0.000) 10.216 20.801 ( 0.000 -11.795 0.000) 11.795 20.813 ( -0.000 -10.928 -0.000) 10.928 20.967 ( 0.000 -15.579 -0.000) 15.579 21.014 ( 0.000 -17.629 0.000) 17.629 22.537 ( -0.000 9.184 0.000) 9.184 22.604 ( 0.000 7.227 -0.000) 7.227 22.719 ( 0.000 -4.856 -0.000) 4.856 22.786 ( 0.000 -6.845 0.000) 6.845 27.590 ( -0.000 3.407 0.000) 3.407 27.606 ( 0.000 1.738 -0.000) 1.738 27.674 ( 0.000 7.138 -0.000) 7.138 27.772 ( 0.000 -2.339 0.000) 2.339 28.352 ( 0.000 1.738 0.000) 1.738 28.363 ( 0.000 0.634 -0.000) 0.634 28.490 ( 0.000 1.159 0.000) 1.159 28.497 ( 0.000 0.114 -0.000) 0.114 29.168 ( 0.000 0.631 0.000) 0.631 29.189 ( 0.000 -1.776 -0.000) 1.776 29.205 ( 0.000 -0.307 -0.000) 0.307 29.218 ( 0.000 -1.629 0.000) 1.629 29.553 ( -0.000 4.237 0.000) 4.237 29.556 ( 0.000 4.027 -0.000) 4.027 29.662 ( 0.000 3.167 -0.000) 3.167 29.677 ( 0.000 1.802 0.000) 1.802 30.089 ( -0.000 5.120 -0.000) 5.120 30.144 ( 0.000 0.319 -0.000) 0.319 30.188 ( 0.000 4.641 0.000) 4.641 30.245 ( 0.000 -2.965 -0.000) 2.965 30.364 ( 0.000 1.375 0.000) 1.375 30.378 ( 0.000 -0.485 -0.000) 0.485 30.482 ( 0.000 -6.011 0.000) 6.011 30.497 ( 0.000 -7.229 -0.000) 7.229 30.692 ( 0.000 -1.217 -0.000) 1.217 30.729 ( 0.000 -4.465 0.000) 4.465 30.740 ( 0.000 0.396 0.000) 0.396 30.786 ( 0.000 -4.224 -0.000) 4.224 31.769 ( 0.000 0.293 -0.000) 0.293 31.769 ( -0.000 -0.356 0.000) 0.356 31.854 ( 0.000 -0.791 0.000) 0.791 31.944 ( 0.000 -9.673 0.000) 9.673 ======================= Grid point 55 (19/60) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.510 ( 11.628 0.000 28.631) 30.902 0.527 ( 0.121 0.000 28.685) 28.685 0.966 ( -4.445 0.000 52.245) 52.434 1.399 ( 1.198 0.000 -19.145) 19.182 1.485 ( -5.629 0.000 -21.886) 22.598 1.565 ( -4.206 0.000 3.699) 5.601 1.784 ( 4.786 0.000 -6.947) 8.436 1.863 ( 1.970 0.000 5.410) 5.757 1.914 ( 2.186 0.000 2.391) 3.240 1.968 ( 5.395 0.000 2.479) 5.937 2.054 ( 0.385 0.000 -0.498) 0.629 2.121 ( -5.534 0.000 0.897) 5.606 2.179 ( 1.187 0.000 -2.994) 3.220 2.208 ( -3.638 0.000 7.543) 8.375 2.302 ( -1.799 0.000 2.410) 3.007 2.384 ( -3.212 0.000 4.104) 5.212 2.582 ( -6.513 0.000 -4.731) 8.051 2.588 ( 4.467 0.000 -10.934) 11.812 2.696 ( 1.618 0.000 -0.882) 1.842 2.703 ( 3.097 0.000 -3.387) 4.589 2.781 ( 4.980 0.000 -3.925) 6.341 2.840 ( 4.106 0.000 -1.797) 4.482 2.883 ( -4.597 0.000 0.212) 4.602 2.947 ( -0.470 0.000 -1.504) 1.575 3.010 ( -0.671 0.000 -0.468) 0.818 3.022 ( -0.131 0.000 -4.642) 4.644 3.086 ( 0.378 0.000 -5.032) 5.047 3.145 ( 0.304 0.000 -0.697) 0.761 3.186 ( 1.154 0.000 0.434) 1.233 3.271 ( 0.817 0.000 -0.425) 0.921 3.336 ( -1.946 0.000 -1.508) 2.462 3.371 ( 0.659 0.000 -0.367) 0.754 3.518 ( 6.959 0.000 -0.885) 7.015 3.575 ( -2.117 0.000 -4.653) 5.112 3.694 ( -4.020 0.000 5.938) 7.171 3.925 ( -2.842 0.000 4.449) 5.279 3.965 ( 14.260 0.000 4.422) 14.930 4.108 ( -5.174 0.000 -1.356) 5.349 4.392 ( -0.288 0.000 5.560) 5.567 4.583 ( 6.908 0.000 -0.493) 6.926 4.637 ( -9.124 0.000 2.999) 9.604 4.768 ( 7.991 0.000 4.148) 9.003 4.791 ( -2.806 0.000 4.614) 5.400 4.843 ( 0.948 0.000 -3.935) 4.047 4.958 ( -12.326 0.000 -3.849) 12.913 5.218 ( -11.669 0.000 -4.819) 12.625 5.258 ( 8.715 0.000 -2.408) 9.041 5.424 ( -1.034 0.000 -2.692) 2.884 5.653 ( 6.444 0.000 10.216) 12.078 5.793 ( 11.502 0.000 0.789) 11.529 5.867 ( 6.778 0.000 -3.405) 7.585 6.067 ( 0.858 0.000 -4.320) 4.404 6.191 ( -5.001 0.000 9.817) 11.017 6.371 ( -1.467 0.000 2.487) 2.887 6.466 ( 3.945 0.000 -2.055) 4.448 6.547 ( 6.100 0.000 -5.771) 8.397 6.697 ( -0.795 0.000 0.755) 1.097 6.768 ( -5.124 0.000 -3.128) 6.003 7.129 ( -0.484 0.000 7.063) 7.080 7.329 ( 3.605 0.000 -1.801) 4.030 7.391 ( 3.114 0.000 -4.094) 5.143 7.438 ( -3.784 0.000 -1.387) 4.030 7.834 ( -2.319 0.000 1.489) 2.756 7.943 ( 1.927 0.000 -0.923) 2.137 8.056 ( -1.431 0.000 2.702) 3.057 8.236 ( 1.026 0.000 -4.003) 4.132 8.277 ( -0.162 0.000 2.962) 2.966 8.455 ( 0.716 0.000 -3.121) 3.202 8.741 ( -2.635 0.000 3.081) 4.054 8.906 ( -1.163 0.000 -5.306) 5.432 8.939 ( 1.725 0.000 2.112) 2.727 9.033 ( -2.005 0.000 0.718) 2.130 9.269 ( -4.188 0.000 4.664) 6.268 9.447 ( 2.431 0.000 -1.752) 2.997 9.585 ( -0.225 0.000 -0.185) 0.291 9.621 ( 3.729 0.000 -1.281) 3.943 10.050 ( 0.677 0.000 -0.698) 0.972 10.062 ( -0.141 0.000 -0.288) 0.321 10.410 ( -0.794 0.000 0.843) 1.158 10.480 ( 0.023 0.000 -1.650) 1.650 10.997 ( -3.759 0.000 0.424) 3.783 11.021 ( 2.010 0.000 -0.228) 2.023 11.100 ( -5.154 0.000 1.602) 5.397 11.198 ( 2.925 0.000 -1.829) 3.450 11.265 ( 10.584 0.000 2.999) 11.001 11.410 ( -6.647 0.000 -1.353) 6.783 12.216 ( -1.848 0.000 0.582) 1.938 12.333 ( 0.457 0.000 -1.917) 1.971 12.378 ( 3.926 0.000 3.489) 5.252 12.558 ( -15.583 0.000 -4.100) 16.113 12.948 ( 0.144 0.000 -0.304) 0.336 12.962 ( -2.683 0.000 0.165) 2.688 13.109 ( -6.637 0.000 1.467) 6.797 13.209 ( 9.033 0.000 -3.140) 9.564 13.429 ( -7.543 0.000 3.206) 8.196 13.531 ( 0.421 0.000 -2.074) 2.117 13.698 ( 1.439 0.000 1.172) 1.856 13.727 ( -0.710 0.000 1.685) 1.828 14.105 ( 1.567 0.000 -1.528) 2.189 14.132 ( -1.952 0.000 -0.467) 2.007 14.465 ( -3.829 0.000 0.039) 3.830 14.474 ( -2.237 0.000 0.338) 2.262 14.642 ( 1.083 0.000 1.163) 1.589 14.715 ( 0.513 0.000 -1.424) 1.514 15.172 ( -0.451 0.000 1.357) 1.430 15.223 ( 0.506 0.000 -0.655) 0.828 15.395 ( 0.477 0.000 0.194) 0.515 15.409 ( -8.984 0.000 -0.416) 8.994 15.659 ( -0.583 0.000 0.989) 1.148 15.713 ( 0.725 0.000 -1.381) 1.559 17.060 ( -2.802 0.000 0.571) 2.860 17.067 ( 6.454 0.000 0.371) 6.465 18.181 ( -1.004 0.000 3.219) 3.372 18.313 ( 0.771 0.000 -2.585) 2.697 20.522 ( -1.240 0.000 1.392) 1.864 20.617 ( 6.307 0.000 -2.265) 6.701 21.501 ( -0.124 0.000 -0.139) 0.186 21.515 ( 0.294 0.000 -0.606) 0.674 21.735 ( -0.316 0.000 2.012) 2.037 21.786 ( -2.916 0.000 -0.212) 2.923 21.936 ( -2.385 0.000 -0.650) 2.472 21.969 ( 0.123 0.000 0.376) 0.395 22.356 ( -4.117 0.000 0.278) 4.126 22.367 ( 0.135 0.000 -0.213) 0.252 27.074 ( 0.827 0.000 2.384) 2.524 27.181 ( -1.569 0.000 -2.325) 2.805 27.272 ( 1.201 0.000 0.010) 1.201 27.303 ( 0.094 0.000 0.222) 0.242 27.353 ( -2.197 0.000 -0.506) 2.254 27.374 ( 0.055 0.000 0.082) 0.099 27.480 ( 2.257 0.000 0.370) 2.287 27.507 ( -11.528 0.000 -0.250) 11.530 28.679 ( -0.326 0.000 0.174) 0.369 28.689 ( 1.310 0.000 -0.290) 1.341 28.770 ( 10.607 0.000 1.188) 10.674 28.823 ( 1.692 0.000 -1.159) 2.051 29.367 ( -0.447 0.000 1.315) 1.389 29.449 ( -0.871 0.000 -1.627) 1.845 29.606 ( -3.233 0.000 4.938) 5.902 29.786 ( -1.190 0.000 -1.676) 2.056 29.828 ( 3.567 0.000 -2.047) 4.113 29.881 ( -1.522 0.000 -1.375) 2.051 29.929 ( -0.789 0.000 -1.285) 1.507 29.996 ( 4.905 0.000 -2.447) 5.481 30.857 ( -4.975 0.000 0.929) 5.061 30.884 ( 0.171 0.000 -0.255) 0.307 30.957 ( 1.795 0.000 2.358) 2.964 31.045 ( -22.225 0.000 4.468) 22.670 31.071 ( -0.527 0.000 -4.334) 4.366 31.251 ( 3.184 0.000 -3.782) 4.944 31.459 ( 7.255 0.000 8.886) 11.472 31.712 ( -8.840 0.000 -3.183) 9.396 32.145 ( 5.288 0.000 1.207) 5.423 32.230 ( -3.309 0.000 -2.359) 4.063 33.886 ( 21.633 0.000 1.912) 21.718 33.968 ( -2.409 0.000 -1.611) 2.898 ======================= Grid point 56 (20/60) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( 12.300 0.000 25.324) 28.153 0.819 ( 18.893 0.000 19.527) 27.171 1.368 ( -4.717 0.000 3.604) 5.936 1.386 ( 8.282 0.000 -8.996) 12.228 1.444 ( 8.265 0.000 -10.027) 12.995 1.497 ( 17.742 0.000 9.992) 20.362 1.736 ( -16.385 0.000 7.451) 18.000 1.820 ( -1.687 0.000 -2.758) 3.233 1.947 ( 4.758 0.000 0.934) 4.848 2.002 ( 3.089 0.000 -0.323) 3.106 2.037 ( -3.117 0.000 -2.464) 3.973 2.086 ( -7.737 0.000 2.286) 8.068 2.124 ( -2.599 0.000 -3.082) 4.031 2.258 ( 5.791 0.000 3.817) 6.936 2.303 ( 1.343 0.000 -1.805) 2.250 2.326 ( -1.683 0.000 3.370) 3.767 2.428 ( -4.406 0.000 7.717) 8.886 2.570 ( -6.240 0.000 -2.032) 6.563 2.679 ( -0.825 0.000 -0.965) 1.269 2.696 ( -8.023 0.000 0.518) 8.040 2.742 ( -3.444 0.000 -8.831) 9.479 2.855 ( -3.136 0.000 -1.712) 3.573 2.874 ( -2.973 0.000 -1.921) 3.539 2.982 ( 2.596 0.000 -3.471) 4.334 2.999 ( -1.229 0.000 -3.629) 3.831 3.071 ( 5.888 0.000 -0.574) 5.916 3.130 ( -1.566 0.000 -6.472) 6.659 3.142 ( 3.053 0.000 -2.927) 4.229 3.196 ( -0.274 0.000 -1.081) 1.116 3.248 ( -1.032 0.000 0.628) 1.208 3.331 ( 3.233 0.000 -0.050) 3.234 3.403 ( 3.075 0.000 -4.152) 5.167 3.512 ( -7.100 0.000 0.101) 7.100 3.555 ( -0.487 0.000 -8.620) 8.633 3.711 ( 4.539 0.000 -2.284) 5.081 3.846 ( -3.751 0.000 2.317) 4.409 4.120 ( 5.487 0.000 -6.089) 8.197 4.194 ( 2.445 0.000 2.799) 3.716 4.390 ( -6.620 0.000 4.433) 7.967 4.516 ( 5.104 0.000 6.571) 8.320 4.564 ( -3.207 0.000 -0.230) 3.215 4.691 ( -3.102 0.000 6.453) 7.160 4.797 ( 2.554 0.000 -3.740) 4.529 4.897 ( -6.203 0.000 2.158) 6.568 5.021 ( 12.912 0.000 -0.865) 12.941 5.179 ( 10.813 0.000 -2.858) 11.185 5.404 ( 4.736 0.000 3.855) 6.106 5.489 ( 6.267 0.000 1.513) 6.447 5.625 ( -6.305 0.000 9.094) 11.066 5.881 ( -5.737 0.000 -5.214) 7.752 5.961 ( -0.505 0.000 1.377) 1.467 6.105 ( 1.020 0.000 -1.915) 2.170 6.164 ( 4.594 0.000 -7.564) 8.850 6.296 ( -7.698 0.000 4.537) 8.936 6.431 ( -8.352 0.000 2.295) 8.661 6.471 ( -4.038 0.000 1.323) 4.249 6.724 ( 2.982 0.000 0.078) 2.983 6.734 ( 4.239 0.000 -0.695) 4.295 7.076 ( -4.600 0.000 3.312) 5.668 7.262 ( -8.707 0.000 -1.111) 8.777 7.328 ( -5.503 0.000 1.846) 5.804 7.402 ( 0.817 0.000 -4.343) 4.419 7.854 ( 2.803 0.000 0.191) 2.810 7.966 ( -0.139 0.000 0.785) 0.797 8.082 ( 2.164 0.000 1.385) 2.569 8.253 ( 0.288 0.000 -2.628) 2.643 8.332 ( 6.608 0.000 1.210) 6.718 8.502 ( 4.379 0.000 -1.902) 4.774 8.663 ( -4.468 0.000 0.631) 4.513 8.815 ( -6.873 0.000 -1.071) 6.956 8.930 ( -3.034 0.000 3.713) 4.795 8.990 ( -0.520 0.000 -2.353) 2.409 9.212 ( -0.506 0.000 1.996) 2.059 9.433 ( -3.025 0.000 -0.561) 3.077 9.578 ( 0.182 0.000 -0.232) 0.295 9.681 ( 1.225 0.000 -1.948) 2.301 10.077 ( 1.009 0.000 0.304) 1.054 10.090 ( 2.746 0.000 -1.145) 2.975 10.401 ( 0.032 0.000 -0.299) 0.301 10.430 ( -2.495 0.000 -0.048) 2.496 10.947 ( -1.695 0.000 0.574) 1.790 11.064 ( -1.440 0.000 1.412) 2.016 11.088 ( 3.439 0.000 0.081) 3.440 11.163 ( -3.355 0.000 0.178) 3.360 11.347 ( -0.152 0.000 1.505) 1.512 11.474 ( 8.125 0.000 -3.600) 8.886 12.175 ( -2.402 0.000 2.870) 3.743 12.364 ( 0.825 0.000 0.388) 0.911 12.401 ( 1.604 0.000 -6.794) 6.981 12.436 ( 2.491 0.000 1.956) 3.167 12.942 ( 0.968 0.000 -0.905) 1.325 13.033 ( -0.275 0.000 -2.268) 2.285 13.159 ( 6.342 0.000 -4.148) 7.578 13.236 ( -6.762 0.000 4.955) 8.383 13.490 ( 4.052 0.000 -2.072) 4.551 13.510 ( 7.846 0.000 -1.810) 8.052 13.731 ( 2.133 0.000 1.236) 2.465 13.761 ( 1.576 0.000 4.134) 4.424 14.112 ( -1.917 0.000 1.431) 2.392 14.116 ( 0.152 0.000 -1.269) 1.278 14.493 ( 0.980 0.000 1.409) 1.716 14.547 ( 5.198 0.000 -4.099) 6.620 14.676 ( 0.938 0.000 -4.355) 4.455 14.718 ( 3.749 0.000 -5.306) 6.497 15.172 ( 1.067 0.000 0.731) 1.293 15.228 ( -0.499 0.000 0.815) 0.956 15.276 ( -3.292 0.000 4.047) 5.217 15.362 ( -2.889 0.000 -0.404) 2.917 15.683 ( 2.027 0.000 1.563) 2.559 15.746 ( 1.556 0.000 -0.048) 1.557 17.123 ( 8.290 0.000 -1.333) 8.397 17.234 ( 5.150 0.000 -0.457) 5.170 18.149 ( -1.590 0.000 0.907) 1.831 18.238 ( -6.790 0.000 -1.132) 6.884 20.556 ( 3.871 0.000 0.133) 3.873 20.677 ( -0.918 0.000 -0.243) 0.950 21.464 ( -3.257 0.000 -0.775) 3.348 21.501 ( -0.442 0.000 -2.348) 2.389 21.645 ( -1.967 0.000 0.950) 2.184 21.732 ( -2.874 0.000 0.784) 2.979 21.895 ( -0.535 0.000 3.393) 3.435 22.023 ( 2.131 0.000 0.392) 2.167 22.265 ( -2.447 0.000 4.801) 5.389 22.355 ( -1.085 0.000 -0.455) 1.176 27.053 ( -2.824 0.000 2.961) 4.092 27.111 ( -3.354 0.000 -1.585) 3.709 27.201 ( -2.282 0.000 4.720) 5.243 27.300 ( -0.025 0.000 0.410) 0.411 27.316 ( 0.816 0.000 0.252) 0.854 27.377 ( 0.233 0.000 0.073) 0.244 27.396 ( -0.453 0.000 0.695) 0.830 27.565 ( 2.215 0.000 0.476) 2.265 28.675 ( -0.004 0.000 -0.281) 0.281 28.696 ( 0.138 0.000 0.082) 0.161 28.865 ( 1.638 0.000 0.844) 1.843 29.049 ( 5.870 0.000 -13.118) 14.371 29.372 ( 0.841 0.000 1.871) 2.051 29.477 ( 3.473 0.000 -3.263) 4.765 29.557 ( -1.489 0.000 2.384) 2.810 29.673 ( -5.072 0.000 4.631) 6.868 29.778 ( -4.127 0.000 -0.487) 4.156 29.935 ( 3.327 0.000 1.432) 3.622 29.985 ( 4.275 0.000 -8.926) 9.897 30.086 ( -0.458 0.000 -11.186) 11.196 30.790 ( 2.423 0.000 -0.171) 2.429 30.867 ( 0.524 0.000 1.901) 1.972 31.022 ( 0.274 0.000 -0.002) 0.274 31.028 ( 3.994 0.000 0.665) 4.049 31.072 ( 1.887 0.000 -2.384) 3.040 31.300 ( 2.287 0.000 1.581) 2.780 31.640 ( 4.891 0.000 -1.145) 5.024 31.702 ( 12.055 0.000 13.531) 18.122 32.177 ( -1.723 0.000 -6.569) 6.792 32.319 ( 10.192 0.000 1.449) 10.294 33.574 ( -30.791 0.000 20.692) 37.097 33.781 ( -12.385 0.000 -7.620) 14.542 ======================= Grid point 57 (21/60) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 4.121 0.000 9.945) 10.765 1.142 ( 0.049 0.000 12.259) 12.259 1.210 ( 2.305 0.000 8.902) 9.195 1.283 ( -9.752 0.000 10.379) 14.241 1.539 ( 10.611 0.000 -12.716) 16.561 1.574 ( 8.707 0.000 -15.090) 17.422 1.702 ( -8.596 0.000 -9.313) 12.673 1.793 ( -9.457 0.000 -9.263) 13.238 1.930 ( -19.533 0.000 7.682) 20.989 2.015 ( -0.500 0.000 2.695) 2.741 2.075 ( -2.856 0.000 1.106) 3.062 2.095 ( -0.636 0.000 1.239) 1.393 2.172 ( 2.442 0.000 8.490) 8.834 2.223 ( 16.589 0.000 10.543) 19.655 2.309 ( 6.259 0.000 8.855) 10.844 2.337 ( -1.550 0.000 5.819) 6.022 2.379 ( 2.655 0.000 9.051) 9.433 2.507 ( 3.033 0.000 -3.404) 4.559 2.560 ( -2.236 0.000 0.644) 2.327 2.661 ( 0.079 0.000 1.958) 1.959 2.757 ( 1.914 0.000 -0.488) 1.975 2.775 ( 0.011 0.000 -2.119) 2.119 2.846 ( 0.826 0.000 -3.789) 3.878 2.956 ( -1.627 0.000 -5.029) 5.286 3.027 ( 1.802 0.000 -4.976) 5.292 3.079 ( -0.369 0.000 -2.655) 2.681 3.114 ( -1.498 0.000 2.515) 2.928 3.135 ( -1.223 0.000 -0.102) 1.227 3.190 ( -4.527 0.000 0.959) 4.627 3.293 ( 2.194 0.000 -11.281) 11.493 3.368 ( -4.761 0.000 -10.326) 11.371 3.375 ( -2.072 0.000 -6.145) 6.485 3.455 ( 3.667 0.000 0.147) 3.670 3.556 ( 3.867 0.000 -10.608) 11.291 3.733 ( -1.970 0.000 0.056) 1.971 3.821 ( -0.310 0.000 -2.178) 2.200 4.025 ( -8.804 0.000 2.700) 9.208 4.252 ( 5.189 0.000 -2.850) 5.920 4.406 ( 3.594 0.000 3.198) 4.811 4.492 ( -4.188 0.000 3.786) 5.646 4.644 ( -1.446 0.000 2.736) 3.095 4.699 ( 7.739 0.000 4.004) 8.714 4.765 ( -5.710 0.000 -3.291) 6.590 4.902 ( 4.460 0.000 -0.375) 4.476 5.223 ( 4.786 0.000 1.336) 4.969 5.325 ( 2.679 0.000 2.470) 3.644 5.423 ( -7.701 0.000 0.806) 7.743 5.532 ( 2.712 0.000 6.226) 6.791 5.662 ( 2.950 0.000 5.174) 5.956 5.747 ( -1.336 0.000 1.960) 2.372 5.852 ( -7.193 0.000 1.203) 7.293 6.123 ( -6.916 0.000 0.406) 6.928 6.154 ( -3.495 0.000 2.399) 4.239 6.181 ( 3.978 0.000 -6.774) 7.856 6.388 ( 1.863 0.000 0.909) 2.073 6.441 ( 1.185 0.000 -4.009) 4.180 6.788 ( 1.979 0.000 -0.548) 2.053 6.819 ( 2.122 0.000 2.246) 3.090 7.010 ( -0.557 0.000 0.388) 0.679 7.108 ( -1.901 0.000 -2.559) 3.188 7.254 ( -2.440 0.000 2.733) 3.664 7.430 ( 2.198 0.000 -3.241) 3.916 7.892 ( 0.431 0.000 1.357) 1.424 7.938 ( -1.821 0.000 1.687) 2.482 8.125 ( 1.784 0.000 0.485) 1.849 8.243 ( -0.413 0.000 -2.931) 2.960 8.507 ( -1.703 0.000 -0.843) 1.900 8.525 ( 4.546 0.000 -0.502) 4.573 8.634 ( -3.557 0.000 -1.018) 3.700 8.677 ( 2.968 0.000 -0.077) 2.969 8.870 ( -2.204 0.000 2.928) 3.664 8.986 ( 0.549 0.000 -1.927) 2.003 9.252 ( 3.177 0.000 3.158) 4.480 9.365 ( -2.435 0.000 -1.518) 2.870 9.583 ( -0.005 0.000 -0.084) 0.085 9.681 ( -1.051 0.000 -2.806) 2.996 10.085 ( -0.421 0.000 0.526) 0.674 10.122 ( 0.202 0.000 -1.152) 1.169 10.406 ( 0.601 0.000 -0.877) 1.063 10.414 ( 0.580 0.000 -0.795) 0.984 10.947 ( 1.887 0.000 3.635) 4.095 10.999 ( -2.254 0.000 1.891) 2.943 11.122 ( -0.626 0.000 0.013) 0.626 11.156 ( 0.551 0.000 -1.358) 1.465 11.334 ( -1.897 0.000 0.935) 2.115 11.579 ( 2.346 0.000 -4.057) 4.686 12.149 ( 0.186 0.000 4.530) 4.534 12.351 ( -2.457 0.000 2.257) 3.337 12.412 ( 0.117 0.000 -7.656) 7.657 12.513 ( 4.518 0.000 -1.940) 4.917 12.965 ( -0.125 0.000 -0.428) 0.445 12.994 ( -1.366 0.000 0.559) 1.476 13.134 ( -3.059 0.000 2.493) 3.946 13.248 ( 4.812 0.000 -2.555) 5.448 13.514 ( -0.072 0.000 -0.751) 0.754 13.632 ( 1.170 0.000 -4.822) 4.962 13.754 ( -1.297 0.000 3.179) 3.433 13.815 ( 2.695 0.000 2.652) 3.781 14.054 ( -2.943 0.000 2.163) 3.652 14.132 ( 1.557 0.000 0.317) 1.589 14.496 ( -0.926 0.000 1.416) 1.692 14.585 ( 0.868 0.000 0.536) 1.020 14.660 ( -0.137 0.000 -1.275) 1.283 14.804 ( 2.141 0.000 -11.921) 12.112 15.202 ( -1.329 0.000 2.209) 2.578 15.236 ( -1.724 0.000 0.677) 1.852 15.248 ( 6.126 0.000 -1.140) 6.231 15.333 ( 0.509 0.000 -1.554) 1.635 15.708 ( -0.059 0.000 1.913) 1.914 15.774 ( 1.024 0.000 0.791) 1.294 17.258 ( -1.365 0.000 0.779) 1.571 17.277 ( 2.285 0.000 0.296) 2.304 18.125 ( -0.470 0.000 -0.401) 0.618 18.135 ( -0.596 0.000 0.058) 0.599 20.619 ( 0.387 0.000 0.221) 0.445 20.642 ( -1.562 0.000 0.890) 1.798 21.434 ( 0.952 0.000 -2.690) 2.853 21.488 ( -0.256 0.000 -3.109) 3.119 21.640 ( 0.575 0.000 -0.380) 0.689 21.700 ( 0.213 0.000 0.036) 0.217 21.909 ( 1.188 0.000 5.892) 6.010 22.032 ( -0.982 0.000 -0.848) 1.297 22.251 ( 0.194 0.000 4.042) 4.047 22.340 ( 0.085 0.000 -0.908) 0.912 27.026 ( -0.045 0.000 1.485) 1.485 27.077 ( 0.542 0.000 -0.699) 0.885 27.198 ( 0.296 0.000 3.572) 3.585 27.304 ( 0.107 0.000 0.264) 0.285 27.336 ( 1.201 0.000 1.119) 1.642 27.387 ( 0.609 0.000 0.408) 0.733 27.393 ( 0.107 0.000 1.400) 1.404 27.556 ( -2.427 0.000 -3.092) 3.930 28.678 ( 0.289 0.000 -0.297) 0.415 28.697 ( -0.055 0.000 0.149) 0.158 28.861 ( -1.997 0.000 2.297) 3.043 29.064 ( -1.203 0.000 -8.567) 8.651 29.395 ( 0.272 0.000 1.437) 1.463 29.518 ( -0.088 0.000 -2.767) 2.768 29.568 ( 2.526 0.000 3.896) 4.643 29.637 ( 1.308 0.000 3.673) 3.898 29.730 ( -0.284 0.000 -1.169) 1.203 29.930 ( -4.777 0.000 -14.779) 15.532 29.971 ( -0.269 0.000 1.016) 1.051 30.126 ( 3.138 0.000 -3.454) 4.666 30.838 ( 2.023 0.000 -0.259) 2.040 30.874 ( -2.064 0.000 0.747) 2.195 30.967 ( 0.802 0.000 -0.667) 1.044 31.031 ( -0.460 0.000 -3.417) 3.448 31.210 ( 6.126 0.000 -1.734) 6.367 31.290 ( -3.744 0.000 -2.292) 4.390 31.766 ( 6.342 0.000 4.761) 7.931 32.014 ( 11.139 0.000 16.804) 20.161 32.150 ( 3.715 0.000 -6.275) 7.292 32.409 ( -4.832 0.000 -3.016) 5.696 33.046 ( -23.540 0.000 20.877) 31.464 33.651 ( 4.303 0.000 -8.057) 9.134 ======================= Grid point 58 (22/60) ======================= q-point: (-0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( -27.966 0.000 7.143) 28.864 0.746 ( -19.507 0.000 17.762) 26.382 1.316 ( -28.729 0.000 35.967) 46.032 1.481 ( 1.289 0.000 -4.407) 4.591 1.503 ( 1.873 0.000 -3.115) 3.635 1.586 ( 7.584 0.000 -1.009) 7.651 1.623 ( 3.996 0.000 -7.565) 8.555 1.681 ( 7.493 0.000 -8.572) 11.385 1.872 ( 9.419 0.000 -4.333) 10.368 1.955 ( -4.137 0.000 4.471) 6.091 2.030 ( -2.805 0.000 -0.887) 2.942 2.103 ( 3.749 0.000 -1.237) 3.948 2.187 ( -0.549 0.000 7.127) 7.148 2.294 ( -3.355 0.000 3.499) 4.848 2.350 ( 2.984 0.000 8.103) 8.635 2.407 ( -4.657 0.000 -2.243) 5.169 2.480 ( 6.400 0.000 0.527) 6.422 2.588 ( 3.156 0.000 0.448) 3.188 2.673 ( 2.916 0.000 0.125) 2.919 2.738 ( 3.079 0.000 2.133) 3.746 2.772 ( 0.808 0.000 -7.930) 7.971 2.822 ( -2.311 0.000 -9.704) 9.976 2.910 ( 6.322 0.000 1.988) 6.627 2.957 ( -4.128 0.000 -6.394) 7.611 2.967 ( 4.022 0.000 -4.992) 6.411 3.033 ( -5.027 0.000 0.127) 5.029 3.100 ( 1.511 0.000 1.547) 2.162 3.136 ( 0.474 0.000 -4.597) 4.621 3.174 ( 8.782 0.000 2.884) 9.243 3.246 ( -4.138 0.000 -5.275) 6.704 3.298 ( 0.157 0.000 -3.274) 3.277 3.356 ( -1.260 0.000 -0.354) 1.309 3.453 ( -1.136 0.000 -4.197) 4.348 3.672 ( -4.235 0.000 -3.426) 5.447 3.703 ( 9.974 0.000 -3.649) 10.621 3.781 ( -2.311 0.000 -0.351) 2.337 3.951 ( -1.010 0.000 2.001) 2.242 4.257 ( -5.760 0.000 0.098) 5.761 4.427 ( -2.243 0.000 2.247) 3.175 4.458 ( 2.653 0.000 2.884) 3.918 4.612 ( -2.360 0.000 -0.175) 2.366 4.685 ( 3.365 0.000 3.971) 5.205 4.855 ( 2.987 0.000 2.500) 3.895 4.928 ( -3.849 0.000 0.661) 3.905 5.143 ( -6.072 0.000 -6.887) 9.182 5.236 ( -5.499 0.000 -5.022) 7.447 5.401 ( -15.347 0.000 7.071) 16.897 5.446 ( 5.250 0.000 12.175) 13.259 5.633 ( -2.731 0.000 2.438) 3.661 5.777 ( -1.311 0.000 -2.880) 3.164 5.788 ( -4.232 0.000 4.006) 5.827 6.024 ( 2.402 0.000 -2.875) 3.746 6.203 ( 4.464 0.000 4.423) 6.284 6.267 ( 7.294 0.000 -2.493) 7.708 6.401 ( -0.824 0.000 3.561) 3.655 6.493 ( 2.609 0.000 -3.721) 4.544 6.761 ( -5.110 0.000 0.832) 5.177 6.798 ( 0.031 0.000 -1.894) 1.894 7.074 ( 4.349 0.000 5.607) 7.096 7.234 ( 9.896 0.000 -4.371) 10.818 7.247 ( 3.112 0.000 0.961) 3.257 7.463 ( 0.990 0.000 -2.291) 2.496 7.882 ( -1.178 0.000 0.170) 1.190 7.921 ( -0.242 0.000 0.948) 0.979 8.126 ( -2.804 0.000 2.335) 3.649 8.234 ( -0.126 0.000 -3.646) 3.648 8.354 ( -9.033 0.000 2.178) 9.292 8.464 ( -1.530 0.000 -2.807) 3.197 8.745 ( 1.870 0.000 2.078) 2.796 8.815 ( 10.912 0.000 -4.397) 11.765 8.880 ( 2.511 0.000 2.332) 3.427 9.005 ( 1.415 0.000 0.427) 1.478 9.299 ( 0.298 0.000 5.387) 5.395 9.373 ( 3.534 0.000 -3.436) 4.930 9.571 ( -0.753 0.000 -0.823) 1.116 9.644 ( -1.955 0.000 -1.202) 2.295 10.062 ( -1.497 0.000 0.001) 1.497 10.097 ( -2.270 0.000 -0.819) 2.413 10.420 ( -0.034 0.000 -0.017) 0.038 10.438 ( 2.508 0.000 -0.883) 2.659 10.986 ( 2.060 0.000 0.026) 2.060 11.055 ( 2.707 0.000 5.237) 5.895 11.082 ( 0.248 0.000 -0.395) 0.467 11.150 ( -0.056 0.000 -1.039) 1.041 11.259 ( -5.483 0.000 -0.795) 5.540 11.548 ( -4.885 0.000 -1.991) 5.275 12.209 ( 3.946 0.000 4.065) 5.666 12.304 ( -0.805 0.000 -0.137) 0.817 12.372 ( -2.572 0.000 -4.101) 4.841 12.598 ( 3.830 0.000 -3.451) 5.155 12.952 ( 0.543 0.000 -2.860) 2.911 12.984 ( -0.440 0.000 0.733) 0.855 13.116 ( 0.827 0.000 -0.960) 1.267 13.390 ( 9.186 0.000 -1.191) 9.263 13.427 ( -9.938 0.000 -1.722) 10.086 13.579 ( -5.527 0.000 -2.724) 6.161 13.721 ( -2.048 0.000 1.113) 2.331 13.784 ( -4.445 0.000 4.141) 6.075 14.058 ( 2.609 0.000 -1.036) 2.807 14.159 ( 0.429 0.000 0.644) 0.774 14.473 ( -0.941 0.000 -0.111) 0.947 14.611 ( 1.549 0.000 1.017) 1.853 14.677 ( 1.157 0.000 -2.847) 3.073 14.743 ( -7.303 0.000 -11.562) 13.675 15.181 ( -0.842 0.000 1.891) 2.070 15.218 ( -0.070 0.000 -0.845) 0.848 15.361 ( 2.094 0.000 -0.855) 2.262 15.398 ( 7.767 0.000 -1.742) 7.960 15.687 ( -1.916 0.000 1.603) 2.498 15.772 ( -2.082 0.000 -0.953) 2.289 17.153 ( -8.282 0.000 -5.196) 9.777 17.196 ( -8.563 0.000 2.179) 8.836 18.153 ( 2.242 0.000 2.362) 3.256 18.220 ( 7.254 0.000 -1.945) 7.510 20.574 ( -2.924 0.000 -0.512) 2.968 20.597 ( -3.619 0.000 2.111) 4.190 21.483 ( 2.700 0.000 -0.934) 2.857 21.493 ( 0.960 0.000 -1.395) 1.694 21.682 ( 3.829 0.000 -0.141) 3.832 21.732 ( 3.261 0.000 -1.125) 3.449 21.954 ( 1.757 0.000 4.851) 5.160 21.994 ( -2.124 0.000 -1.349) 2.516 22.294 ( 4.237 0.000 4.989) 6.545 22.353 ( 1.012 0.000 -0.733) 1.249 27.045 ( 1.449 0.000 1.304) 1.949 27.133 ( 4.602 0.000 -0.707) 4.656 27.223 ( 2.033 0.000 3.377) 3.942 27.303 ( -0.117 0.000 0.108) 0.160 27.360 ( 0.780 0.000 -0.081) 0.784 27.381 ( -0.706 0.000 -0.170) 0.726 27.447 ( 4.719 0.000 5.333) 7.121 27.491 ( -1.932 0.000 -1.450) 2.416 28.682 ( 0.093 0.000 -0.518) 0.527 28.694 ( -0.316 0.000 0.262) 0.410 28.822 ( -1.385 0.000 0.413) 1.445 28.954 ( -10.665 0.000 -10.522) 14.982 29.382 ( -1.092 0.000 1.304) 1.701 29.484 ( -2.056 0.000 -0.993) 2.284 29.631 ( 1.082 0.000 6.036) 6.132 29.713 ( 5.144 0.000 1.873) 5.474 29.760 ( 3.212 0.000 -1.225) 3.438 29.842 ( -1.073 0.000 -10.501) 10.555 29.947 ( -1.587 0.000 1.039) 1.897 30.118 ( -4.253 0.000 -6.969) 8.164 30.834 ( 0.753 0.000 -0.362) 0.836 30.876 ( 0.280 0.000 3.602) 3.612 30.994 ( -0.047 0.000 -2.594) 2.594 31.050 ( 1.365 0.000 -3.633) 3.881 31.201 ( -1.410 0.000 -4.076) 4.313 31.303 ( 3.927 0.000 1.293) 4.135 31.810 ( -15.485 0.000 -12.704) 20.029 31.885 ( -10.705 0.000 -5.255) 11.925 32.180 ( -10.286 0.000 -6.507) 12.172 32.332 ( -4.193 0.000 0.599) 4.236 32.987 ( 29.549 0.000 49.115) 57.319 33.858 ( 11.880 0.000 -2.182) 12.079 ======================= Grid point 59 (23/60) ======================= q-point: ( 0.00 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( 12.867 14.269 21.483) 28.822 0.813 ( -0.381 18.580 20.939) 27.997 1.299 ( -5.995 30.326 28.971) 42.366 1.519 ( -1.778 8.488 -16.840) 18.942 1.567 ( -3.963 9.987 -16.950) 20.069 1.699 ( -1.737 8.617 2.742) 9.208 1.847 ( 1.986 2.288 -0.287) 3.043 1.918 ( 6.425 2.854 0.955) 7.094 1.947 ( 0.447 4.382 0.587) 4.444 2.002 ( 0.888 3.187 0.327) 3.324 2.069 ( 1.375 1.923 -2.417) 3.381 2.137 ( 2.026 1.667 4.984) 5.633 2.196 ( -6.917 6.680 -0.730) 9.644 2.299 ( 0.356 4.180 0.625) 4.242 2.366 ( -2.540 3.863 4.097) 6.177 2.415 ( -2.742 4.622 3.202) 6.256 2.563 ( 0.081 -1.032 -5.649) 5.743 2.645 ( -5.392 3.832 -7.509) 10.007 2.672 ( 1.812 -3.036 -1.273) 3.758 2.776 ( 2.939 5.059 -6.987) 9.113 2.804 ( 7.062 0.975 -2.501) 7.555 2.885 ( 2.424 2.408 -6.005) 6.908 2.929 ( -4.871 4.428 2.512) 7.046 3.058 ( -2.481 8.044 -2.252) 8.714 3.096 ( -0.067 6.822 -4.155) 7.988 3.148 ( -0.569 3.623 -1.519) 3.969 3.209 ( -3.168 8.847 -1.177) 9.470 3.223 ( -1.323 5.645 -1.791) 6.068 3.287 ( 3.983 12.237 0.159) 12.870 3.376 ( 2.246 6.503 -2.352) 7.271 3.424 ( 2.288 10.693 0.783) 10.963 3.509 ( 1.350 0.914 -3.650) 3.998 3.558 ( 0.985 5.719 -2.242) 6.221 3.635 ( 8.850 12.946 -5.091) 16.488 3.734 ( -7.882 12.445 -5.527) 15.734 3.915 ( -0.384 -1.776 -0.216) 1.829 3.971 ( 7.936 2.330 5.716) 10.054 4.119 ( -4.578 1.852 -1.727) 5.232 4.344 ( -2.251 -3.415 10.540) 11.306 4.555 ( -3.249 -4.193 8.381) 9.919 4.638 ( 3.266 0.834 -3.348) 4.751 4.716 ( 9.656 -3.613 1.665) 10.444 4.768 ( -3.566 -3.047 2.486) 5.309 4.848 ( -0.757 -0.004 -2.898) 2.996 4.963 ( -9.897 0.647 -2.928) 10.341 5.031 ( -1.002 -12.028 2.937) 12.422 5.261 ( 1.650 0.940 -0.885) 2.096 5.402 ( 3.688 -2.169 2.303) 4.859 5.552 ( 0.924 -1.880 4.078) 4.585 5.679 ( -1.613 -3.846 6.468) 7.696 5.899 ( 8.130 -0.334 -1.186) 8.223 6.043 ( -0.390 -0.838 -2.941) 3.083 6.177 ( -3.195 -1.445 4.674) 5.843 6.302 ( 0.490 -8.534 3.757) 9.337 6.411 ( -1.007 2.494 1.136) 2.920 6.498 ( 0.604 0.493 0.973) 1.247 6.708 ( 1.815 2.741 -3.228) 4.607 6.806 ( -0.139 1.934 -3.423) 3.934 7.217 ( -2.116 6.982 2.673) 7.770 7.353 ( 2.517 3.300 -0.953) 4.259 7.395 ( 2.767 2.700 -2.446) 4.575 7.505 ( -4.278 5.466 -0.856) 6.994 7.912 ( -1.094 5.177 1.883) 5.617 7.990 ( 0.071 2.646 0.127) 2.650 8.116 ( -0.409 5.682 1.196) 5.821 8.248 ( 0.911 1.480 -1.099) 2.056 8.403 ( 0.007 11.383 3.453) 11.896 8.527 ( -1.667 3.253 0.779) 3.737 8.755 ( -1.032 0.920 1.051) 1.736 8.848 ( -0.910 -4.567 -1.348) 4.848 8.945 ( -1.129 -0.543 -0.519) 1.356 9.017 ( 2.587 -2.242 0.670) 3.488 9.271 ( -0.481 0.580 -0.980) 1.237 9.361 ( -0.587 -0.962 2.906) 3.117 9.608 ( -2.419 2.032 0.341) 3.177 9.694 ( 3.862 6.081 -1.593) 7.378 10.097 ( -0.058 2.790 -0.305) 2.808 10.142 ( 1.114 6.770 -2.213) 7.209 10.415 ( -0.155 0.116 0.298) 0.356 10.458 ( -0.169 -0.808 -0.628) 1.037 11.016 ( -4.740 0.956 0.535) 4.865 11.127 ( -0.530 6.034 -0.945) 6.131 11.157 ( -0.177 6.170 0.189) 6.175 11.234 ( 4.708 2.157 -0.378) 5.193 11.334 ( 5.652 5.398 -1.550) 7.968 11.430 ( -6.542 2.079 -0.643) 6.894 12.160 ( -2.748 -4.766 -0.394) 5.515 12.213 ( 3.877 -7.317 -0.412) 8.291 12.454 ( -0.496 4.571 -0.010) 4.598 12.563 ( -1.604 1.430 -0.076) 2.150 12.927 ( 1.988 -2.204 0.447) 3.001 13.004 ( -1.899 -0.516 -0.915) 2.170 13.156 ( -1.766 1.160 -0.091) 2.115 13.252 ( 1.683 -0.900 -0.397) 1.950 13.334 ( -3.691 -7.668 1.405) 8.625 13.539 ( 2.219 -1.329 -6.222) 6.738 13.710 ( -0.351 -2.010 1.848) 2.753 13.843 ( 0.361 0.956 -9.613) 9.667 14.087 ( -0.500 -4.229 -0.510) 4.289 14.109 ( 1.933 -2.859 -1.978) 3.978 14.364 ( -1.459 -8.937 1.022) 9.112 14.449 ( 0.434 -6.531 -5.548) 8.581 14.607 ( -1.565 -3.304 1.405) 3.916 14.718 ( 0.548 -3.543 -4.884) 6.058 15.056 ( 0.058 -12.916 1.026) 12.957 15.118 ( 0.217 -12.600 -1.250) 12.663 15.213 ( -1.089 -16.341 2.374) 16.549 15.273 ( 0.449 -14.333 -1.270) 14.397 15.766 ( 0.648 13.437 2.258) 13.640 15.965 ( -3.491 24.614 -11.839) 27.535 17.149 ( -0.247 9.266 -0.442) 9.280 17.167 ( 0.882 8.470 -1.963) 8.739 18.319 ( -1.000 13.512 2.428) 13.764 18.434 ( 0.529 12.251 -2.323) 12.481 20.398 ( -3.281 -11.514 0.227) 11.974 20.451 ( 6.097 -13.424 -1.478) 14.818 21.434 ( -1.323 -6.970 0.967) 7.160 21.469 ( -1.614 -5.999 0.695) 6.251 21.712 ( 1.042 0.547 0.502) 1.280 21.741 ( -0.337 -0.260 -0.087) 0.434 22.043 ( 0.027 7.535 2.268) 7.869 22.114 ( -2.208 10.427 -0.402) 10.666 22.396 ( -0.633 7.648 4.478) 8.885 22.477 ( -0.292 10.104 -0.697) 10.133 27.048 ( -0.851 1.114 0.150) 1.410 27.102 ( 0.314 -0.810 -0.970) 1.302 27.228 ( -0.101 1.186 5.721) 5.844 27.350 ( -0.709 4.070 -1.944) 4.566 27.500 ( 0.197 14.363 1.221) 14.416 27.555 ( -0.937 13.655 -1.310) 13.750 27.647 ( 1.939 17.077 4.618) 17.797 27.949 ( -4.653 17.618 -12.297) 21.983 28.758 ( -1.304 5.647 1.552) 6.000 28.794 ( -1.247 7.809 0.927) 7.962 28.868 ( 1.158 4.791 -0.975) 5.025 29.084 ( 10.755 22.880 -22.130) 33.599 29.370 ( -0.046 0.207 1.390) 1.406 29.461 ( -0.913 1.293 -2.993) 3.386 29.582 ( -2.846 -2.519 4.747) 6.081 29.774 ( 1.628 -1.514 -2.228) 3.148 29.813 ( 2.651 -1.723 -2.393) 3.965 29.858 ( -4.472 -2.387 -1.604) 5.317 29.919 ( -0.288 0.317 1.586) 1.643 30.037 ( 3.988 4.231 -6.289) 8.565 30.809 ( -8.168 -5.795 2.035) 10.219 30.820 ( 0.301 -4.339 1.206) 4.514 30.936 ( 4.179 -2.402 1.820) 5.152 31.014 ( -8.727 -3.095 1.747) 9.423 31.054 ( -7.171 -2.343 -3.290) 8.230 31.183 ( 2.572 -6.684 -3.156) 7.826 31.403 ( 6.415 -5.611 7.942) 11.649 31.630 ( -7.381 -8.160 -3.027) 11.412 32.100 ( 4.207 -4.411 0.866) 6.157 32.163 ( -1.655 -6.291 -1.807) 6.752 33.091 ( 12.991 -45.476 43.904) 64.532 33.721 ( -1.977 -23.431 -5.119) 24.065 ======================= Grid point 60 (24/60) ======================= q-point: ( 0.25 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 7.033 14.327 19.098) 24.889 1.011 ( 14.909 14.470 14.821) 25.521 1.422 ( -0.065 4.603 -20.146) 20.665 1.547 ( -0.417 13.148 3.993) 13.747 1.590 ( 7.672 13.656 5.722) 16.676 1.616 ( 9.987 7.879 0.531) 12.732 1.770 ( -11.683 2.758 4.756) 12.912 1.822 ( -6.017 0.496 -1.193) 6.154 1.962 ( 0.979 2.525 -3.776) 4.647 2.046 ( 1.149 4.215 -0.179) 4.372 2.078 ( 2.079 4.547 -0.452) 5.020 2.151 ( -0.898 5.865 4.063) 7.191 2.229 ( 1.489 4.713 -6.155) 7.894 2.296 ( 0.789 4.412 1.814) 4.836 2.330 ( -1.666 1.461 8.303) 8.594 2.377 ( -0.746 6.546 2.088) 6.911 2.475 ( -2.933 3.522 1.685) 4.883 2.567 ( -4.266 0.332 -2.190) 4.807 2.687 ( -3.640 2.732 1.868) 4.920 2.725 ( -4.273 0.463 -1.008) 4.414 2.835 ( -3.399 6.515 -2.847) 7.881 2.925 ( 1.073 1.767 -3.284) 3.881 2.956 ( 0.728 6.299 -4.527) 7.791 3.031 ( 1.369 6.035 -5.524) 8.295 3.043 ( -0.812 4.377 -3.535) 5.685 3.132 ( 0.517 5.111 -1.782) 5.437 3.164 ( 0.135 7.666 -0.001) 7.667 3.234 ( 3.357 8.726 -5.696) 10.948 3.331 ( -0.533 11.511 -3.012) 11.911 3.361 ( -1.581 5.858 0.051) 6.068 3.447 ( 0.809 4.547 -3.651) 5.887 3.491 ( -4.788 1.805 0.702) 5.165 3.576 ( -3.289 19.558 -0.611) 19.842 3.617 ( 1.967 10.372 -4.370) 11.426 3.763 ( 3.041 7.275 -5.345) 9.525 3.877 ( -1.373 3.599 -0.168) 3.856 4.118 ( 5.765 -0.303 -2.955) 6.485 4.192 ( 4.122 -0.386 0.895) 4.235 4.296 ( -1.925 -5.642 9.747) 11.425 4.502 ( 1.180 -2.030 5.848) 6.302 4.574 ( -4.161 0.262 0.840) 4.253 4.631 ( -5.069 -4.028 3.072) 7.167 4.781 ( 0.862 -0.999 -5.018) 5.188 4.870 ( -1.815 -2.936 1.717) 3.855 5.009 ( 9.580 -2.483 -0.755) 9.925 5.215 ( 13.440 3.255 -0.930) 13.860 5.368 ( 2.924 -3.246 3.989) 5.916 5.486 ( 2.693 -0.099 1.276) 2.982 5.538 ( -4.332 -4.967 4.296) 7.868 5.719 ( 9.520 -17.667 -0.722) 20.082 5.904 ( -8.167 -0.683 -2.416) 8.544 6.003 ( -3.688 -1.777 4.041) 5.752 6.197 ( 3.461 0.191 -1.760) 3.887 6.260 ( -3.801 -3.775 4.902) 7.261 6.381 ( -1.563 0.882 0.204) 1.806 6.501 ( -0.732 3.103 -0.253) 3.198 6.765 ( 0.750 1.881 -1.464) 2.498 6.780 ( 1.272 2.232 -0.903) 2.723 7.118 ( -5.318 4.074 -0.816) 6.749 7.287 ( -8.371 2.506 -0.066) 8.738 7.393 ( -2.487 5.881 0.354) 6.395 7.439 ( 0.059 4.438 -2.428) 5.059 7.933 ( 1.969 5.737 0.884) 6.129 8.001 ( 0.573 4.729 0.983) 4.864 8.148 ( 2.162 6.250 0.796) 6.661 8.292 ( 2.483 2.855 -0.706) 3.849 8.414 ( 1.619 6.298 1.345) 6.640 8.542 ( 3.649 5.049 0.147) 6.231 8.699 ( -3.352 2.292 0.516) 4.094 8.827 ( -2.055 -0.706 -0.840) 2.330 8.894 ( -2.024 -3.344 1.545) 4.203 8.990 ( -5.081 1.400 0.726) 5.320 9.240 ( -0.545 0.897 -1.622) 1.932 9.323 ( -3.383 -4.024 2.650) 5.887 9.591 ( 1.190 2.646 0.534) 2.950 9.761 ( 1.675 6.613 -2.297) 7.198 10.113 ( 1.466 1.735 -0.190) 2.279 10.162 ( 0.656 5.977 -1.396) 6.173 10.408 ( -0.158 -0.038 -0.479) 0.506 10.431 ( -1.927 0.736 0.017) 2.063 10.932 ( -1.621 0.302 0.595) 1.753 11.125 ( -3.997 2.034 0.405) 4.503 11.158 ( 2.189 6.945 -0.030) 7.282 11.245 ( -1.813 9.004 0.676) 9.209 11.347 ( 1.638 1.047 0.670) 2.056 11.499 ( 5.974 1.506 -3.588) 7.130 12.118 ( -0.991 -4.589 0.936) 4.787 12.252 ( -0.945 -6.839 0.164) 6.906 12.444 ( 2.329 2.816 -3.319) 4.937 12.550 ( -0.782 5.488 1.501) 5.743 12.943 ( 0.974 0.464 0.233) 1.103 13.021 ( 1.154 -3.098 -0.394) 3.329 13.149 ( 0.495 -1.817 -1.970) 2.725 13.219 ( -4.045 -2.029 -0.249) 4.532 13.345 ( 4.517 -7.616 0.350) 8.861 13.515 ( -2.012 -4.071 -2.099) 5.003 13.777 ( 3.998 -0.756 1.774) 4.438 13.835 ( 0.916 2.757 -2.604) 3.901 14.078 ( -0.342 -4.275 -0.374) 4.305 14.102 ( -2.102 -3.518 0.084) 4.099 14.390 ( 2.414 -10.004 -0.173) 10.293 14.447 ( -0.276 -7.607 -1.891) 7.844 14.645 ( 1.870 -4.438 -2.710) 5.526 14.699 ( 0.657 -5.172 -5.225) 7.381 15.073 ( 1.376 -12.196 0.763) 12.298 15.129 ( 0.431 -11.683 -0.102) 11.691 15.179 ( -1.550 -12.807 1.877) 13.036 15.252 ( -1.906 -11.740 -0.568) 11.907 15.772 ( -0.550 12.520 3.121) 12.914 15.898 ( -0.483 20.942 -6.407) 21.906 17.170 ( 6.905 6.112 -0.406) 9.231 17.324 ( 5.717 8.246 -1.259) 10.113 18.256 ( -2.917 11.223 0.743) 11.620 18.379 ( -5.752 13.959 -0.924) 15.126 20.407 ( 3.862 -13.157 0.066) 13.713 20.543 ( 1.114 -11.116 -0.292) 11.176 21.349 ( -3.356 -8.530 -0.666) 9.190 21.414 ( -3.700 -5.636 0.468) 6.758 21.735 ( 2.798 5.475 -0.467) 6.166 21.807 ( 3.160 1.290 1.454) 3.710 21.953 ( -5.302 8.274 1.589) 9.954 22.077 ( -2.531 4.495 0.830) 5.225 22.380 ( -0.851 10.854 3.952) 11.583 22.467 ( -0.462 10.346 -0.878) 10.393 27.031 ( -0.651 1.540 0.797) 1.852 27.087 ( -1.241 0.283 -1.096) 1.680 27.218 ( -1.456 2.657 5.294) 6.099 27.346 ( 0.561 3.630 -1.914) 4.142 27.492 ( -0.733 14.055 1.024) 14.112 27.556 ( -1.689 16.036 0.359) 16.129 27.597 ( -1.596 16.950 -0.473) 17.031 27.823 ( -3.397 19.739 -1.079) 20.058 28.753 ( 0.174 6.934 0.098) 6.937 28.778 ( -0.065 7.663 0.114) 7.664 28.909 ( 1.901 4.371 0.541) 4.797 29.161 ( -1.486 9.748 -12.914) 16.248 29.375 ( 0.341 0.298 2.381) 2.423 29.474 ( 2.663 -0.256 -3.533) 4.431 29.538 ( -1.348 -1.943 2.411) 3.377 29.672 ( -4.889 -0.153 4.488) 6.639 29.775 ( -3.384 -0.104 -0.678) 3.452 29.914 ( 4.310 -3.135 -5.413) 7.597 29.960 ( 2.902 -0.916 -1.513) 3.399 30.102 ( -0.275 1.699 -10.357) 10.499 30.752 ( 2.877 -3.712 -0.334) 4.708 30.838 ( 1.374 -3.190 2.294) 4.162 30.945 ( 0.392 -5.142 1.728) 5.439 31.027 ( 2.520 -2.504 -1.485) 3.851 31.037 ( 0.356 -3.267 -2.076) 3.887 31.253 ( 3.375 -4.698 1.437) 5.961 31.541 ( 4.999 -9.646 2.714) 11.198 31.632 ( 9.403 -7.209 7.824) 14.199 32.118 ( -2.218 -5.460 -6.033) 8.434 32.237 ( 7.701 -7.684 0.743) 10.904 33.128 ( -11.378 -33.913 29.494) 46.362 33.570 ( -9.506 -20.179 -9.200) 24.129 ======================= Grid point 61 (25/60) ======================= q-point: (-0.50 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 13.731 5.076 9.581) 17.496 1.274 ( -12.979 6.720 6.983) 16.198 1.305 ( -15.376 8.667 5.685) 18.544 1.359 ( 6.451 9.191 7.423) 13.461 1.586 ( 11.892 4.247 -14.674) 19.359 1.648 ( -0.653 2.966 -7.295) 7.902 1.737 ( 2.089 9.512 -7.087) 12.044 1.899 ( -5.504 4.194 -13.325) 15.015 1.969 ( -9.063 5.040 3.253) 10.869 2.059 ( 1.740 0.021 3.684) 4.074 2.084 ( -5.432 6.223 2.699) 8.690 2.136 ( -3.450 5.656 6.947) 9.600 2.253 ( 5.658 5.354 8.378) 11.440 2.313 ( 1.266 2.481 12.318) 12.629 2.354 ( 6.318 8.862 3.771) 11.518 2.412 ( 2.087 3.910 4.219) 6.119 2.452 ( 6.089 9.093 2.929) 11.329 2.490 ( 0.592 -0.037 -1.305) 1.434 2.596 ( -2.115 3.020 2.748) 4.599 2.735 ( -1.326 4.003 2.959) 5.151 2.824 ( 3.305 4.691 -5.635) 8.042 2.847 ( -1.395 4.203 -2.362) 5.020 2.925 ( -0.007 8.144 -2.116) 8.414 3.030 ( 0.369 4.888 -5.853) 7.635 3.067 ( -3.101 2.329 -3.145) 4.993 3.133 ( -0.873 7.167 -3.497) 8.022 3.200 ( 1.765 7.609 -2.847) 8.314 3.255 ( -0.521 10.458 -5.041) 11.621 3.322 ( -3.161 2.635 -2.337) 4.733 3.359 ( 0.651 5.912 -7.500) 9.572 3.397 ( 1.056 6.834 -7.410) 10.135 3.453 ( -0.167 14.366 -1.167) 14.414 3.526 ( -1.010 10.300 0.939) 10.392 3.669 ( 2.194 10.126 -7.691) 12.903 3.745 ( -1.681 5.196 1.369) 5.630 3.861 ( -1.971 4.808 0.790) 5.256 4.081 ( -5.688 6.189 1.620) 8.561 4.245 ( 4.509 -0.564 -1.871) 4.914 4.367 ( 3.267 -2.645 4.815) 6.391 4.460 ( -5.400 -4.956 2.288) 7.678 4.570 ( -1.615 -4.347 4.288) 6.316 4.647 ( 6.552 -3.861 2.549) 8.021 4.785 ( -4.728 1.090 -3.121) 5.769 4.875 ( 5.219 -3.763 -2.449) 6.885 5.161 ( 3.214 -4.313 1.410) 5.561 5.297 ( -2.396 -5.068 3.743) 6.741 5.399 ( 2.150 -3.251 3.902) 5.516 5.504 ( -3.285 -0.504 3.996) 5.197 5.594 ( 2.866 -5.033 1.101) 5.896 5.725 ( -3.026 -1.145 1.120) 3.424 5.849 ( -5.465 -0.228 -0.810) 5.529 5.905 ( 1.318 -9.815 -1.719) 10.051 6.140 ( -3.960 -1.107 3.985) 5.726 6.282 ( 1.712 2.633 -1.651) 3.548 6.377 ( 2.189 -0.264 -1.678) 2.770 6.479 ( -0.960 3.771 0.198) 3.897 6.782 ( 2.231 -0.665 -0.343) 2.353 6.813 ( -1.087 -0.615 0.755) 1.460 7.079 ( 0.605 4.610 -1.864) 5.009 7.138 ( -1.359 4.720 -1.794) 5.229 7.344 ( -1.900 6.844 0.997) 7.172 7.477 ( 3.486 4.448 -2.831) 6.321 7.965 ( 0.789 5.660 1.603) 5.936 7.996 ( -0.991 6.564 0.377) 6.649 8.179 ( 0.712 5.363 0.170) 5.413 8.289 ( -1.420 5.096 0.186) 5.293 8.512 ( 1.106 0.452 0.147) 1.204 8.548 ( 0.437 3.120 -0.387) 3.174 8.726 ( 4.528 4.578 0.497) 6.458 8.753 ( -3.385 5.012 0.378) 6.060 8.867 ( -0.782 0.396 1.162) 1.456 8.913 ( -0.773 -2.489 1.057) 2.812 9.236 ( -1.090 -7.525 -0.674) 7.633 9.295 ( 1.994 1.995 0.433) 2.854 9.619 ( 0.705 3.619 1.842) 4.122 9.759 ( -1.315 7.185 -3.848) 8.256 10.133 ( 0.012 1.703 -0.001) 1.703 10.157 ( -0.878 4.390 -0.596) 4.516 10.399 ( -0.557 -0.488 -0.150) 0.755 10.422 ( 1.214 0.882 -0.940) 1.771 10.960 ( 3.670 2.021 2.021) 4.652 11.030 ( -2.692 1.403 -0.133) 3.039 11.179 ( -1.395 4.836 2.195) 5.491 11.251 ( 0.981 8.930 -0.931) 9.032 11.350 ( -1.422 3.571 0.574) 3.887 11.580 ( 2.164 -0.118 -4.553) 5.043 12.119 ( 0.627 -2.476 2.768) 3.767 12.222 ( -1.267 -8.455 -0.652) 8.574 12.464 ( -1.506 2.189 -2.258) 3.487 12.560 ( 2.215 2.698 0.061) 3.491 12.968 ( -0.476 -0.574 0.135) 0.758 13.016 ( 0.066 1.059 0.636) 1.237 13.112 ( -1.994 -1.829 0.629) 2.777 13.216 ( 3.467 -4.446 -3.480) 6.626 13.427 ( 0.493 -6.858 0.064) 6.876 13.481 ( 0.097 -8.340 -2.301) 8.652 13.804 ( -1.236 -0.012 3.626) 3.831 13.860 ( 0.039 -0.246 0.541) 0.596 14.062 ( -0.266 -2.012 -0.621) 2.122 14.097 ( 1.210 -3.876 -0.274) 4.069 14.414 ( -0.154 -8.507 0.028) 8.508 14.436 ( -0.349 -11.495 0.141) 11.501 14.621 ( -0.757 -5.021 -0.665) 5.121 14.751 ( 2.046 -6.166 -7.725) 10.093 15.084 ( -1.026 -12.835 2.601) 13.136 15.145 ( 2.039 -12.378 0.578) 12.558 15.168 ( -0.750 -10.785 -1.128) 10.870 15.220 ( -0.248 -11.511 -0.011) 11.514 15.759 ( -0.844 10.002 2.740) 10.405 15.922 ( 2.938 18.494 -4.740) 19.317 17.319 ( 0.094 5.542 0.218) 5.547 17.338 ( 0.673 7.331 0.240) 7.365 18.245 ( 0.012 12.136 -0.209) 12.138 18.276 ( -0.249 13.794 -0.468) 13.804 20.491 ( -0.114 -10.889 0.381) 10.897 20.507 ( -0.968 -11.620 0.581) 11.675 21.329 ( -0.071 -9.024 -0.615) 9.045 21.372 ( 1.735 -5.589 -1.881) 6.147 21.769 ( -2.873 7.501 0.139) 8.033 21.820 ( 2.152 8.645 0.332) 8.915 21.940 ( 1.053 3.006 2.801) 4.242 22.028 ( -0.091 -0.801 -0.592) 1.000 22.374 ( -0.274 10.993 3.527) 11.549 22.463 ( 0.278 11.169 -0.986) 11.216 27.032 ( 0.698 2.552 0.505) 2.693 27.069 ( -0.103 1.070 -0.587) 1.225 27.203 ( -0.406 1.776 4.984) 5.307 27.355 ( 0.455 3.903 -2.166) 4.487 27.482 ( -0.252 14.713 0.983) 14.748 27.518 ( -0.193 14.904 -0.739) 14.923 27.642 ( 2.949 17.722 2.128) 18.092 27.755 ( -2.521 17.159 -1.845) 17.441 28.759 ( 0.590 7.638 -0.468) 7.675 28.785 ( 0.390 8.042 -0.119) 8.052 28.914 ( -1.499 5.354 2.534) 6.110 29.101 ( -2.284 3.649 -7.689) 8.812 29.386 ( -0.102 -0.899 1.816) 2.029 29.508 ( 0.272 -1.110 -2.336) 2.601 29.546 ( 1.930 -2.157 3.443) 4.498 29.634 ( 0.760 -0.354 3.324) 3.428 29.738 ( -0.094 0.906 -1.266) 1.559 29.909 ( -2.917 -1.664 -11.597) 12.074 29.979 ( -0.505 0.351 -0.265) 0.669 30.117 ( 2.404 -0.340 -3.671) 4.402 30.799 ( 1.171 -3.749 -0.237) 3.935 30.855 ( -1.432 -2.115 0.058) 2.555 30.917 ( 1.319 -4.914 0.257) 5.094 31.006 ( -0.672 -2.582 -3.135) 4.117 31.157 ( 5.737 -5.054 -0.783) 7.685 31.243 ( -3.698 -4.772 -2.942) 6.716 31.678 ( 6.340 -9.526 5.816) 12.836 31.885 ( 11.558 -15.669 18.219) 26.665 32.043 ( -4.414 -5.388 -9.871) 12.081 32.296 ( -4.223 -10.327 -3.832) 11.797 32.860 ( -15.813 -16.760 21.533) 31.537 33.472 ( 3.748 -17.322 -8.497) 19.654 ======================= Grid point 62 (26/60) ======================= q-point: (-0.25 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( -24.109 7.503 4.615) 25.667 0.955 ( -14.868 13.990 17.155) 26.666 1.513 ( 6.107 7.592 1.948) 9.937 1.543 ( -3.307 14.155 16.532) 22.014 1.595 ( 2.247 6.389 -5.556) 8.760 1.674 ( 0.023 10.410 5.506) 11.776 1.729 ( -5.922 10.442 -12.125) 17.062 1.820 ( 4.216 10.757 -5.762) 12.911 1.887 ( 9.180 2.027 -4.469) 10.409 2.013 ( -0.785 2.366 -0.578) 2.559 2.054 ( -1.649 1.972 2.529) 3.606 2.091 ( -0.432 4.559 1.989) 4.993 2.278 ( -0.833 5.490 7.039) 8.966 2.345 ( -2.030 3.420 3.646) 5.395 2.402 ( 0.724 4.093 1.989) 4.608 2.452 ( -2.287 3.705 0.398) 4.372 2.522 ( 2.435 1.948 -1.706) 3.554 2.565 ( 4.328 -0.344 2.991) 5.273 2.723 ( 1.762 2.473 1.094) 3.227 2.755 ( 3.969 1.820 -2.621) 5.093 2.824 ( 2.910 2.772 -2.275) 4.618 2.873 ( -6.020 3.137 -15.154) 16.605 2.904 ( 0.382 -3.049 -3.855) 4.930 3.021 ( 3.127 5.014 -3.646) 6.944 3.055 ( 2.686 6.631 1.074) 7.235 3.124 ( 6.140 12.419 2.847) 14.144 3.225 ( -0.563 7.393 -4.433) 8.638 3.245 ( -0.010 11.066 -3.277) 11.541 3.296 ( -0.391 10.214 -0.521) 10.234 3.345 ( 0.226 4.088 -3.071) 5.118 3.377 ( -2.659 10.034 -2.848) 10.764 3.474 ( 2.330 15.174 -0.957) 15.382 3.520 ( 1.330 7.577 -2.140) 7.985 3.628 ( -4.308 -1.435 -2.228) 5.057 3.783 ( 2.636 10.092 0.529) 10.444 3.829 ( 1.566 5.171 -3.871) 6.647 4.012 ( -3.629 5.780 -0.886) 6.882 4.241 ( -5.234 -0.721 0.512) 5.308 4.372 ( -1.348 -3.602 7.062) 8.041 4.450 ( 5.297 -1.539 0.123) 5.517 4.571 ( -0.222 -4.523 5.963) 7.488 4.641 ( -1.959 -1.934 -0.440) 2.788 4.778 ( 2.417 -3.548 1.063) 4.423 4.954 ( 1.269 -3.938 -1.392) 4.365 5.078 ( -11.415 -3.406 -2.326) 12.138 5.237 ( -5.061 -0.558 -2.423) 5.639 5.349 ( -6.535 -3.859 9.530) 12.183 5.434 ( -3.989 -1.552 1.531) 4.546 5.563 ( -6.338 -5.949 -0.177) 8.695 5.671 ( -0.651 -2.360 8.902) 9.232 5.765 ( 3.300 -2.076 -5.004) 6.343 6.010 ( 4.451 -0.196 0.094) 4.456 6.156 ( 4.656 -2.347 2.117) 5.627 6.295 ( -0.651 0.301 0.615) 0.945 6.413 ( 0.490 1.731 0.082) 1.801 6.482 ( 1.135 0.218 0.325) 1.201 6.734 ( -4.386 -2.143 1.094) 5.003 6.807 ( 0.324 2.705 -2.687) 3.827 7.152 ( 6.682 2.379 -0.877) 7.147 7.237 ( 7.384 6.742 -0.622) 10.019 7.340 ( 1.592 6.162 -0.971) 6.438 7.536 ( 1.516 6.220 -1.203) 6.514 7.956 ( -1.969 5.861 2.125) 6.538 7.986 ( 0.190 5.122 -0.928) 5.208 8.163 ( -2.704 3.732 0.868) 4.690 8.260 ( -1.691 2.772 0.057) 3.248 8.416 ( -3.225 5.106 1.789) 6.299 8.567 ( -1.867 6.572 -0.595) 6.858 8.742 ( 1.313 0.872 0.885) 1.808 8.851 ( 4.600 0.884 0.139) 4.687 8.882 ( 3.200 1.037 -1.975) 3.900 8.947 ( 3.125 -3.953 2.740) 5.736 9.240 ( 2.068 -5.675 -1.432) 6.208 9.346 ( 1.824 2.594 2.532) 4.058 9.617 ( -0.595 3.366 1.733) 3.833 9.711 ( -2.657 6.746 -3.446) 8.028 10.115 ( -1.392 1.837 0.096) 2.307 10.137 ( -0.512 5.421 -1.557) 5.663 10.407 ( 0.883 -0.773 -0.013) 1.173 10.445 ( 1.042 0.654 -0.566) 1.354 11.038 ( 3.094 1.806 -0.861) 3.684 11.060 ( 4.417 0.928 2.544) 5.181 11.147 ( -0.610 6.589 -0.295) 6.623 11.240 ( -1.710 5.569 0.872) 5.890 11.299 ( -2.977 7.720 -1.023) 8.337 11.560 ( -3.937 0.420 -2.493) 4.679 12.150 ( 2.100 -5.479 1.552) 6.070 12.204 ( -0.910 -6.318 -0.474) 6.401 12.430 ( 0.081 3.428 -2.089) 4.015 12.591 ( 0.116 -0.150 0.196) 0.272 12.926 ( -1.991 -1.531 0.193) 2.519 13.030 ( 0.060 0.455 -0.113) 0.473 13.119 ( 2.689 0.748 -1.315) 3.086 13.313 ( 3.254 -8.428 -1.066) 9.097 13.350 ( -4.500 -3.864 0.276) 5.937 13.496 ( 0.518 -5.297 -2.670) 5.954 13.760 ( -3.027 -1.217 2.193) 3.931 13.842 ( -0.633 0.544 -2.652) 2.780 14.071 ( 0.988 -1.585 -1.086) 2.160 14.111 ( -0.361 -4.719 0.547) 4.764 14.395 ( -1.178 -8.302 -0.300) 8.390 14.442 ( 0.715 -12.373 -1.536) 12.489 14.638 ( 1.629 -3.900 -1.895) 4.632 14.733 ( -2.510 -4.572 -6.553) 8.375 15.064 ( -0.938 -13.053 2.044) 13.245 15.133 ( -1.444 -11.356 -1.481) 11.543 15.199 ( 2.065 -16.945 2.063) 17.195 15.242 ( 1.882 -12.945 -0.826) 13.108 15.753 ( 0.104 11.003 1.937) 11.173 15.979 ( 2.801 20.504 -6.966) 21.836 17.180 ( -7.310 5.950 -0.412) 9.434 17.324 ( -6.190 9.254 -2.231) 11.355 18.263 ( 3.563 11.418 1.138) 12.015 18.374 ( 5.845 14.577 -1.344) 15.763 20.412 ( -2.688 -13.501 0.019) 13.766 20.492 ( -3.991 -9.359 0.570) 10.190 21.371 ( 4.576 -9.945 -0.625) 10.965 21.447 ( 3.949 -3.653 -0.461) 5.399 21.707 ( -1.980 3.999 0.044) 4.463 21.811 ( -3.791 1.844 1.017) 4.336 21.979 ( 4.044 7.400 0.855) 8.476 22.094 ( 4.063 4.781 0.881) 6.335 22.381 ( 0.653 9.161 4.062) 10.043 22.473 ( 0.660 10.858 -0.711) 10.901 27.052 ( 0.770 2.203 -0.438) 2.375 27.080 ( 1.171 0.163 -0.288) 1.217 27.215 ( 0.633 0.302 5.396) 5.442 27.360 ( 0.189 4.087 -1.754) 4.451 27.487 ( 0.572 14.341 0.976) 14.386 27.547 ( 3.190 17.118 0.122) 17.413 27.625 ( -3.124 13.816 -0.036) 14.165 27.835 ( 9.985 21.290 -1.334) 23.553 28.770 ( 0.247 7.751 0.110) 7.756 28.795 ( 0.857 7.957 0.609) 8.026 28.879 ( -1.711 5.999 1.748) 6.478 29.040 ( -2.567 8.779 -13.550) 16.348 29.375 ( -0.699 -0.764 1.335) 1.689 29.484 ( -1.351 -0.142 -0.988) 1.680 29.600 ( 1.157 -3.071 5.451) 6.362 29.694 ( 4.092 -1.976 0.994) 4.652 29.763 ( 2.640 0.500 -1.261) 2.968 29.849 ( -0.312 0.600 -8.519) 8.546 29.953 ( -1.720 0.513 0.961) 2.036 30.113 ( -3.226 0.068 -6.762) 7.492 30.793 ( 0.296 -3.925 0.301) 3.947 30.856 ( 0.611 -2.290 2.138) 3.192 30.946 ( -0.688 -4.825 -1.061) 4.988 31.013 ( 1.136 -3.537 -3.710) 5.250 31.146 ( -1.791 -5.508 -3.791) 6.922 31.259 ( 3.878 -4.389 0.853) 5.918 31.669 ( -21.589 -15.460 -9.296) 28.133 31.779 ( -7.043 -10.301 -0.420) 12.485 32.118 ( -5.479 -5.821 -4.040) 8.957 32.157 ( 3.080 -12.134 8.381) 15.065 32.734 ( 6.066 -17.487 38.713) 42.910 33.637 ( 9.521 -21.076 -4.544) 23.569 ======================= Grid point 63 (27/60) ======================= q-point: ( 0.00 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 10.470 18.198 13.271) 24.838 1.198 ( 1.362 21.597 7.562) 22.923 1.628 ( -3.510 5.718 -13.592) 15.158 1.722 ( -1.280 4.575 -11.503) 12.446 1.774 ( -1.085 2.396 0.035) 2.631 1.861 ( -1.423 4.876 1.759) 5.375 1.922 ( -1.048 16.020 5.270) 16.897 2.012 ( 0.737 6.307 -0.943) 6.419 2.056 ( -1.686 4.468 -1.174) 4.918 2.087 ( 2.830 3.927 -2.197) 5.316 2.158 ( -1.750 11.850 3.390) 12.449 2.211 ( -0.339 3.725 4.032) 5.500 2.317 ( -1.266 3.850 0.346) 4.068 2.378 ( -3.284 5.884 -1.215) 6.847 2.422 ( -2.097 3.836 1.373) 4.582 2.493 ( 0.663 2.469 -1.233) 2.838 2.562 ( 0.898 -0.682 -3.405) 3.587 2.616 ( 0.819 1.084 4.531) 4.731 2.734 ( -3.571 4.306 1.638) 5.829 2.787 ( 0.985 -0.306 -3.012) 3.184 2.850 ( 1.860 1.575 -0.197) 2.445 2.972 ( 9.493 3.026 -5.421) 11.343 3.009 ( -4.914 1.955 4.072) 6.675 3.090 ( -4.041 -0.617 -5.342) 6.727 3.127 ( 4.407 0.101 -2.258) 4.953 3.216 ( 0.567 2.913 -2.158) 3.670 3.256 ( 0.954 -1.125 -4.174) 4.427 3.356 ( -0.313 0.938 -0.653) 1.185 3.444 ( 0.685 1.660 0.261) 1.815 3.504 ( 0.692 3.673 -1.261) 3.944 3.615 ( -3.958 11.099 0.353) 11.788 3.734 ( 1.537 11.008 0.501) 11.127 3.822 ( 1.727 14.657 0.583) 14.770 3.842 ( 3.147 10.035 0.634) 10.536 3.922 ( 1.082 11.999 2.730) 12.353 4.034 ( 0.085 11.713 -5.511) 12.945 4.108 ( 0.791 8.634 4.847) 9.933 4.238 ( -3.400 13.890 3.048) 14.621 4.379 ( -2.248 5.725 5.458) 8.223 4.501 ( -1.631 3.612 4.585) 6.060 4.615 ( 4.028 -3.489 1.152) 5.453 4.655 ( 3.805 -1.663 -3.821) 5.643 4.727 ( -1.278 1.995 -0.133) 2.373 4.837 ( -3.470 1.350 -1.786) 4.129 4.973 ( -0.708 3.229 -2.781) 4.320 5.000 ( -0.681 1.401 -0.877) 1.788 5.279 ( 0.612 0.768 -1.747) 2.005 5.389 ( 1.169 0.601 1.610) 2.078 5.561 ( -1.611 1.666 2.026) 3.078 5.643 ( -2.827 -0.036 3.471) 4.477 5.873 ( 6.435 -1.910 -0.871) 6.769 6.021 ( -0.156 -1.543 -0.696) 1.700 6.198 ( -2.567 5.944 0.215) 6.478 6.280 ( 0.020 6.830 1.627) 7.021 6.487 ( -1.370 5.758 0.814) 5.974 6.548 ( 1.974 4.878 1.017) 5.360 6.776 ( 3.570 4.275 -1.763) 5.842 6.845 ( -2.567 3.564 -2.479) 5.043 7.323 ( 2.087 5.019 -3.313) 6.365 7.448 ( -1.633 6.034 -2.249) 6.644 7.552 ( 1.261 11.257 3.360) 11.815 7.656 ( -4.714 9.593 -0.097) 10.689 7.982 ( 0.991 2.946 0.126) 3.111 8.054 ( -0.179 4.074 1.150) 4.237 8.213 ( 0.496 2.710 -1.328) 3.058 8.295 ( 0.533 2.292 3.045) 3.848 8.524 ( -0.396 -2.197 -0.188) 2.240 8.606 ( -0.637 2.337 2.111) 3.213 8.751 ( 0.885 -2.959 1.690) 3.520 8.814 ( -2.069 5.515 0.052) 5.891 8.869 ( 0.744 -2.285 -0.136) 2.407 8.983 ( 0.365 0.195 -0.026) 0.415 9.367 ( 2.456 7.798 1.318) 8.282 9.452 ( -2.782 8.270 -0.678) 8.752 9.700 ( -2.739 6.959 3.597) 8.299 9.862 ( 3.236 11.056 -2.022) 11.696 10.143 ( -0.316 2.561 0.608) 2.651 10.248 ( 1.172 3.891 -3.673) 5.477 10.429 ( -1.331 1.695 1.025) 2.386 10.469 ( 1.456 2.271 -0.384) 2.725 11.016 ( -4.755 -0.626 1.599) 5.056 11.170 ( 5.035 -1.153 -5.218) 7.342 11.265 ( 1.918 3.979 2.768) 5.213 11.298 ( -3.394 2.182 1.203) 4.210 11.510 ( 0.178 12.993 -1.657) 13.099 11.555 ( -1.312 12.361 0.062) 12.431 12.047 ( -0.439 -5.987 -0.996) 6.085 12.108 ( 1.448 -4.063 0.728) 4.374 12.507 ( -2.324 0.821 0.618) 2.541 12.581 ( 3.340 -0.664 -2.396) 4.164 12.871 ( 1.840 -3.766 1.493) 4.450 12.933 ( -1.619 -6.676 2.178) 7.206 13.087 ( -1.090 -10.788 1.749) 10.983 13.174 ( -2.052 -3.320 3.201) 5.048 13.224 ( -1.452 -3.471 -2.251) 4.385 13.467 ( 2.748 -6.334 -6.739) 9.648 13.604 ( -0.377 -9.903 1.865) 10.084 13.705 ( 1.030 -13.146 -4.835) 14.045 13.939 ( -0.348 -10.167 -0.071) 10.173 13.976 ( 0.270 -10.480 -0.171) 10.485 14.174 ( 0.177 -10.281 -0.246) 10.286 14.227 ( 1.323 -13.501 -2.431) 13.782 14.488 ( -3.824 -9.916 1.807) 10.780 14.567 ( 1.117 -11.862 -1.651) 12.029 14.701 ( 1.171 -21.031 0.393) 21.067 14.753 ( -0.223 -22.778 -1.421) 22.824 14.819 ( -0.450 -22.430 2.750) 22.602 14.912 ( 1.379 -20.631 -2.029) 20.776 16.165 ( 0.682 25.581 4.282) 25.946 16.498 ( -0.145 27.757 -12.821) 30.576 17.367 ( -0.252 12.710 -0.144) 12.714 17.412 ( -0.261 15.665 -1.153) 15.710 18.683 ( -0.691 23.452 1.963) 23.544 18.772 ( 0.390 21.956 -1.776) 22.032 20.164 ( -2.629 -10.107 0.623) 10.462 20.212 ( 3.686 -9.729 -1.727) 10.546 21.295 ( -0.192 -6.810 0.751) 6.854 21.328 ( -1.711 -7.325 1.331) 7.639 21.709 ( -0.566 -3.139 -0.214) 3.197 21.724 ( 1.050 -2.562 0.186) 2.775 22.195 ( -0.822 7.762 2.255) 8.124 22.285 ( 0.104 6.762 -1.386) 6.904 22.598 ( 0.365 10.780 2.765) 11.135 22.695 ( -0.372 10.758 -1.353) 10.849 27.123 ( -0.425 6.286 -0.627) 6.332 27.169 ( -0.050 6.768 -1.388) 6.909 27.314 ( 0.315 6.745 5.666) 8.815 27.469 ( -0.395 7.695 -2.518) 8.106 27.816 ( 0.040 16.986 0.801) 17.005 27.849 ( -0.380 16.005 -0.694) 16.024 28.002 ( 0.791 17.244 4.195) 17.765 28.202 ( -1.166 10.368 -4.545) 11.380 28.872 ( -0.684 6.743 2.140) 7.107 28.973 ( 1.493 8.154 -2.203) 8.578 29.031 ( -2.392 12.061 3.804) 12.871 29.351 ( 4.600 5.855 -9.001) 11.682 29.372 ( 0.799 -0.006 0.643) 1.025 29.488 ( 1.084 0.869 -7.017) 7.153 29.510 ( -1.978 -4.748 4.151) 6.610 29.691 ( 3.469 -6.565 -3.565) 8.236 29.791 ( -2.540 0.811 0.392) 2.695 29.843 ( -1.474 1.367 -1.029) 2.259 29.953 ( -0.116 3.182 2.643) 4.138 30.145 ( 2.464 6.037 -9.456) 11.486 30.677 ( -4.759 -6.951 3.558) 9.144 30.717 ( -0.738 -6.347 0.570) 6.415 30.858 ( 3.389 -5.637 0.557) 6.600 30.927 ( -3.347 -5.853 0.644) 6.773 30.975 ( -4.421 -5.531 -2.192) 7.413 31.016 ( 1.458 -9.686 -1.887) 9.975 31.255 ( 4.132 -9.141 5.512) 11.446 31.418 ( -4.490 -12.973 -2.563) 13.966 31.988 ( 2.119 -6.721 0.395) 7.058 32.020 ( 0.530 -7.621 -1.350) 7.758 32.475 ( 3.653 -21.436 28.903) 36.169 33.171 ( -1.095 -30.449 -8.601) 31.659 ======================= Grid point 64 (28/60) ======================= q-point: ( 0.25 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 1.153 19.060 8.420) 20.869 1.275 ( 12.190 13.049 11.231) 21.095 1.548 ( -3.007 7.917 -14.463) 16.760 1.687 ( -2.575 1.701 -6.826) 7.491 1.711 ( -4.384 2.942 1.589) 5.514 1.802 ( -6.674 4.105 -2.749) 8.303 1.852 ( -2.655 7.756 -3.185) 8.795 1.968 ( 1.008 10.904 2.382) 11.207 2.035 ( -0.444 5.962 -0.492) 5.999 2.119 ( -0.673 2.739 0.415) 2.851 2.182 ( 4.207 5.973 -2.334) 7.670 2.255 ( 2.531 2.031 4.274) 5.366 2.309 ( 1.452 3.792 -3.628) 5.445 2.359 ( -0.960 4.633 2.383) 5.298 2.428 ( 1.981 7.497 5.510) 9.512 2.503 ( -0.389 4.075 -1.141) 4.249 2.538 ( 0.264 3.982 2.438) 4.676 2.612 ( -3.712 4.038 -0.399) 5.500 2.709 ( 4.027 1.673 -1.497) 4.611 2.789 ( -4.116 4.289 0.812) 6.000 2.858 ( -0.733 -3.349 -2.864) 4.468 2.911 ( -2.178 1.115 2.702) 3.645 3.031 ( 3.909 3.305 -2.782) 5.826 3.128 ( -3.366 1.380 -1.657) 3.997 3.186 ( 1.485 -0.214 0.569) 1.604 3.235 ( -1.950 5.218 -2.617) 6.155 3.267 ( 6.295 7.785 -5.437) 11.393 3.357 ( 1.170 1.409 0.348) 1.864 3.438 ( -0.774 1.104 -1.272) 1.853 3.525 ( -0.857 8.628 -0.212) 8.673 3.567 ( -0.412 8.668 -0.362) 8.686 3.714 ( -1.637 9.812 -0.059) 9.948 3.862 ( 1.047 4.005 0.452) 4.164 3.867 ( 1.564 5.873 -6.104) 8.614 3.964 ( 0.572 18.971 -1.030) 19.008 4.089 ( 3.103 17.010 2.921) 17.536 4.169 ( 4.786 7.094 1.928) 8.772 4.269 ( 4.411 13.348 0.132) 14.058 4.325 ( -1.447 6.621 5.151) 8.512 4.473 ( -1.984 3.422 4.599) 6.066 4.581 ( -7.371 4.366 0.987) 8.623 4.619 ( -1.739 0.711 -1.451) 2.374 4.757 ( 2.248 -3.564 -1.721) 4.552 4.807 ( 0.640 0.633 -0.923) 1.289 4.945 ( 6.323 -2.280 -1.225) 6.832 5.264 ( 9.997 0.763 0.664) 10.048 5.316 ( -1.861 -1.563 3.033) 3.886 5.390 ( -1.065 -6.523 0.146) 6.611 5.550 ( 3.064 -0.815 0.601) 3.227 5.578 ( 3.867 6.849 -0.725) 7.899 5.878 ( -6.085 -1.614 -1.753) 6.535 5.992 ( -3.109 0.418 4.618) 5.583 6.228 ( 1.533 2.630 -2.918) 4.217 6.249 ( -1.282 5.943 1.723) 6.319 6.445 ( -1.832 5.984 1.146) 6.362 6.586 ( 0.936 5.183 0.454) 5.287 6.739 ( -1.890 -0.688 -1.224) 2.355 6.876 ( -0.129 6.576 -1.442) 6.734 7.204 ( -5.833 3.873 -3.082) 7.650 7.362 ( -7.344 6.337 0.619) 9.720 7.551 ( -0.651 9.954 -2.147) 10.204 7.577 ( -2.848 9.278 -0.302) 9.709 8.041 ( 1.411 5.350 1.277) 5.679 8.108 ( 3.329 4.421 1.877) 5.844 8.263 ( 4.141 5.171 -0.554) 6.647 8.358 ( 6.676 2.815 1.702) 7.442 8.505 ( -0.509 2.471 0.219) 2.532 8.581 ( -1.452 -2.592 1.565) 3.357 8.735 ( -2.893 -5.079 1.061) 5.940 8.814 ( -0.361 4.857 -0.166) 4.873 8.889 ( 1.489 2.675 0.258) 3.072 8.984 ( 0.797 2.822 -0.726) 3.021 9.309 ( -6.915 8.420 2.801) 11.250 9.384 ( -2.864 6.864 -0.950) 7.498 9.702 ( 2.996 8.068 2.633) 9.001 9.944 ( 2.530 11.758 -1.948) 12.184 10.128 ( -0.310 0.435 0.518) 0.744 10.246 ( -0.963 2.290 -2.776) 3.725 10.412 ( 0.218 1.160 -0.437) 1.258 10.464 ( -2.441 2.465 0.996) 3.609 10.950 ( 0.014 1.012 -0.296) 1.055 11.135 ( -6.065 0.083 1.065) 6.158 11.278 ( 1.360 2.095 0.129) 2.501 11.357 ( 3.581 4.393 -0.305) 5.676 11.534 ( 1.420 13.172 -2.402) 13.464 11.571 ( 2.725 10.184 -0.248) 10.545 12.024 ( 0.224 -4.637 -0.064) 4.643 12.141 ( -0.740 -4.543 0.850) 4.681 12.479 ( 0.853 0.654 -1.373) 1.743 12.594 ( -2.279 -1.394 0.901) 2.819 12.895 ( -1.538 -8.349 4.059) 9.410 12.942 ( 3.837 -3.125 0.748) 5.005 13.040 ( -1.605 -10.021 -1.445) 10.251 13.142 ( -2.492 -3.168 -0.893) 4.129 13.246 ( 3.803 -3.171 -1.564) 5.193 13.432 ( -3.373 -5.268 -2.836) 6.868 13.648 ( 2.303 -12.701 1.167) 12.961 13.709 ( -0.175 -14.581 -1.777) 14.690 13.947 ( 1.247 -8.596 -0.782) 8.721 13.973 ( -0.758 -9.114 0.389) 9.154 14.190 ( 1.394 -9.909 -0.125) 10.008 14.236 ( -0.629 -13.854 -0.689) 13.885 14.458 ( -0.009 -14.190 -2.167) 14.354 14.546 ( -1.340 -10.775 -0.573) 10.873 14.739 ( 2.006 -20.093 0.492) 20.199 14.768 ( 0.441 -23.558 0.551) 23.568 14.818 ( 0.844 -21.157 0.341) 21.177 14.924 ( -0.291 -19.471 -0.562) 19.481 16.163 ( -1.463 25.461 4.983) 25.985 16.446 ( -2.189 30.120 -11.131) 32.185 17.367 ( 4.440 13.182 0.251) 13.912 17.530 ( 5.166 12.251 -1.246) 13.353 18.584 ( -4.178 22.220 0.535) 22.616 18.749 ( -4.937 23.436 -0.665) 23.960 20.155 ( 4.480 -10.577 0.021) 11.487 20.339 ( 3.497 -8.366 -0.267) 9.071 21.204 ( -3.407 -6.173 0.185) 7.054 21.305 ( -3.284 -5.516 0.808) 6.471 21.755 ( 5.570 -5.106 -1.027) 7.625 21.795 ( 4.154 -1.421 1.739) 4.722 22.118 ( -5.908 6.803 0.968) 9.062 22.195 ( -7.459 7.833 -0.410) 10.824 22.607 ( -0.022 10.787 2.839) 11.154 22.691 ( 0.149 11.077 -1.462) 11.174 27.118 ( 0.213 6.852 -0.446) 6.870 27.160 ( -0.584 6.878 -0.936) 6.966 27.312 ( -1.115 6.767 5.426) 8.745 27.461 ( 0.092 7.673 -2.796) 8.167 27.804 ( -0.132 16.898 0.439) 16.904 27.878 ( 0.416 16.094 -0.012) 16.099 27.958 ( -2.030 18.426 1.588) 18.605 28.165 ( -2.294 14.508 -1.322) 14.747 28.894 ( 2.157 7.538 0.653) 7.868 28.972 ( -1.568 10.753 0.177) 10.868 29.027 ( 2.179 7.818 0.228) 8.119 29.318 ( -6.333 4.311 -6.458) 10.019 29.382 ( -1.019 0.226 3.106) 3.276 29.463 ( -0.743 -1.874 -1.384) 2.445 29.493 ( 0.232 -1.351 -0.862) 1.620 29.654 ( -3.865 -2.451 2.401) 5.168 29.785 ( -0.500 1.466 -1.574) 2.208 29.850 ( 3.420 -0.985 -5.268) 6.358 29.974 ( 1.184 2.196 2.822) 3.767 30.156 ( -1.225 3.866 -8.648) 9.552 30.652 ( 2.979 -6.389 0.033) 7.049 30.742 ( 2.099 -6.358 2.580) 7.175 30.838 ( -2.549 -6.020 0.382) 6.549 30.932 ( 3.186 -6.351 -0.836) 7.155 30.955 ( -0.665 -5.517 -1.954) 5.890 31.129 ( 5.143 -7.727 1.277) 9.369 31.301 ( 1.524 -13.854 3.610) 14.398 31.431 ( 5.570 -12.996 2.318) 14.328 31.993 ( -1.670 -6.846 -4.122) 8.164 32.062 ( 3.451 -9.350 -0.340) 9.972 32.554 ( -0.627 -23.651 24.192) 33.838 33.087 ( -4.524 -27.271 -10.013) 29.401 ======================= Grid point 65 (29/60) ======================= q-point: (-0.50 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( 0.212 8.349 7.207) 11.032 1.372 ( -11.467 5.153 1.593) 12.672 1.471 ( -9.646 7.751 0.620) 12.390 1.555 ( 7.480 10.503 5.554) 14.039 1.691 ( 8.793 5.250 -9.563) 14.011 1.733 ( 1.986 6.447 -6.063) 9.070 1.903 ( 1.693 4.374 -6.914) 8.355 1.944 ( 0.173 4.684 -6.045) 7.649 2.082 ( 0.322 3.922 -0.448) 3.961 2.107 ( -1.438 4.884 -1.101) 5.209 2.234 ( -1.815 5.849 4.969) 7.887 2.263 ( 0.533 6.683 2.094) 7.024 2.329 ( 2.338 3.599 4.042) 5.895 2.380 ( 2.108 4.758 6.996) 8.720 2.493 ( 0.460 4.407 2.110) 4.907 2.510 ( 3.197 4.638 -3.013) 6.388 2.520 ( -1.974 3.748 0.480) 4.263 2.609 ( 0.660 4.847 -1.428) 5.096 2.716 ( 0.734 8.779 4.596) 9.936 2.768 ( -0.096 0.221 -0.859) 0.892 2.846 ( -1.797 -0.807 -6.027) 6.341 2.884 ( -0.656 1.862 0.049) 1.974 3.027 ( -2.932 2.282 -0.561) 3.757 3.083 ( 0.061 2.921 -1.459) 3.265 3.180 ( -0.584 5.797 -0.206) 5.830 3.226 ( 0.205 2.225 -1.136) 2.507 3.329 ( 1.468 1.243 1.023) 2.178 3.415 ( 2.482 8.037 0.578) 8.432 3.429 ( -1.364 4.550 -0.063) 4.751 3.504 ( 0.216 5.868 -2.290) 6.303 3.556 ( -0.340 11.319 -2.766) 11.657 3.700 ( 0.235 6.520 -1.895) 6.794 3.815 ( -3.362 12.322 -4.257) 13.463 3.880 ( -0.291 9.703 -6.252) 11.547 3.964 ( -0.614 13.429 0.643) 13.459 4.116 ( -1.569 17.416 2.075) 17.610 4.221 ( -1.632 4.937 -2.217) 5.653 4.308 ( 2.565 4.935 3.118) 6.376 4.359 ( -0.066 6.442 1.963) 6.735 4.426 ( -1.310 6.147 7.485) 9.774 4.540 ( 0.982 5.021 -0.053) 5.116 4.604 ( 1.623 2.321 0.979) 2.996 4.774 ( 0.470 -1.129 -2.202) 2.519 4.821 ( -1.860 -0.150 -1.973) 2.716 5.097 ( 5.282 -2.004 2.009) 5.996 5.195 ( -2.774 -3.743 0.860) 4.737 5.272 ( -0.201 -7.075 6.531) 9.631 5.451 ( 0.027 -4.646 1.769) 4.971 5.632 ( -6.592 2.753 -6.531) 9.679 5.686 ( 4.080 2.652 -2.396) 5.424 5.848 ( 8.976 3.804 3.398) 10.324 5.883 ( -6.980 1.859 0.666) 7.254 6.136 ( -3.754 2.356 3.283) 5.515 6.316 ( 3.480 3.428 -3.923) 6.266 6.432 ( 0.291 5.889 1.422) 6.066 6.568 ( -2.386 4.803 1.733) 5.636 6.759 ( 1.131 -0.926 -0.216) 1.477 6.798 ( -1.644 -0.150 -0.940) 1.899 7.189 ( -3.883 7.471 -2.868) 8.895 7.258 ( 5.388 7.340 -1.481) 9.225 7.492 ( -2.418 8.862 0.844) 9.225 7.612 ( 4.533 9.470 -4.361) 11.369 8.059 ( 0.160 3.676 3.127) 4.828 8.123 ( -0.892 4.050 0.625) 4.193 8.323 ( 1.024 8.491 -0.547) 8.570 8.418 ( -3.040 5.966 2.437) 7.125 8.544 ( -0.665 0.505 2.441) 2.580 8.594 ( 1.108 0.847 -0.584) 1.512 8.679 ( 1.826 -1.503 0.541) 2.426 8.784 ( -0.136 -3.017 -0.601) 3.079 8.916 ( 1.093 2.872 -0.594) 3.130 8.975 ( -2.694 6.432 0.348) 6.982 9.228 ( -0.733 9.022 2.364) 9.355 9.368 ( 2.285 5.799 -0.926) 6.302 9.757 ( 0.674 10.479 4.112) 11.277 9.942 ( -1.188 10.819 -3.878) 11.554 10.140 ( 0.300 -0.354 0.987) 1.091 10.216 ( -0.973 1.161 -1.968) 2.483 10.397 ( -2.079 0.265 0.801) 2.244 10.446 ( 1.911 1.610 -0.702) 2.595 11.014 ( 4.498 2.596 0.587) 5.226 11.036 ( -2.493 -0.205 -0.364) 2.527 11.246 ( -2.833 3.111 2.609) 4.951 11.439 ( 3.164 6.769 -2.985) 8.046 11.535 ( -1.112 13.513 -0.685) 13.576 11.612 ( 0.912 6.744 -1.963) 7.083 12.056 ( 0.818 -4.490 -0.066) 4.564 12.095 ( -1.442 -3.599 1.539) 4.172 12.484 ( -2.065 -0.388 0.362) 2.132 12.561 ( 0.770 -2.981 0.822) 3.187 12.886 ( -0.483 -7.838 2.338) 8.194 13.000 ( 0.882 -6.920 0.991) 7.046 13.055 ( 3.655 -6.319 -2.218) 7.630 13.081 ( -2.167 -2.119 -1.513) 3.387 13.320 ( 3.017 -4.714 -1.705) 5.851 13.361 ( -3.378 -4.808 -1.741) 6.129 13.669 ( -0.295 -14.418 1.648) 14.515 13.703 ( -0.265 -15.325 -0.068) 15.327 13.953 ( -0.680 -6.781 0.060) 6.815 13.979 ( 1.274 -9.339 -0.789) 9.459 14.213 ( -0.363 -12.534 0.007) 12.539 14.219 ( -0.159 -10.001 -0.010) 10.002 14.439 ( -0.039 -14.162 -1.373) 14.229 14.560 ( 1.944 -13.245 -3.488) 13.834 14.740 ( -2.121 -21.579 2.916) 21.878 14.780 ( 1.074 -22.727 0.559) 22.759 14.840 ( 0.262 -19.254 -1.298) 19.299 14.905 ( -1.170 -18.794 0.583) 18.839 16.137 ( -1.177 26.049 4.539) 26.467 16.424 ( 1.484 29.131 -8.805) 30.469 17.475 ( 0.933 10.183 1.206) 10.296 17.545 ( -0.373 12.822 -1.648) 12.933 18.586 ( 0.510 22.557 0.326) 22.565 18.637 ( -0.267 22.764 -0.953) 22.786 20.288 ( 3.041 -8.559 0.275) 9.087 20.293 ( -3.729 -8.308 0.307) 9.112 21.183 ( -1.275 -5.637 1.946) 6.098 21.270 ( 2.849 -5.248 -2.205) 6.366 21.800 ( -3.305 -3.695 2.539) 5.570 21.908 ( 4.326 -5.225 -1.485) 6.944 22.040 ( -1.432 8.130 -0.087) 8.255 22.068 ( 0.176 7.538 0.462) 7.554 22.604 ( -0.535 11.222 2.673) 11.549 22.695 ( 0.417 11.022 -1.295) 11.105 27.128 ( 0.388 6.632 -0.736) 6.684 27.153 ( 0.387 7.549 -0.522) 7.577 27.294 ( -1.045 7.028 5.355) 8.897 27.465 ( 0.591 7.290 -2.798) 7.830 27.813 ( -0.116 17.400 0.870) 17.423 27.845 ( 0.007 17.105 -0.625) 17.116 27.993 ( 1.179 17.368 2.521) 17.589 28.108 ( -1.038 17.035 -1.883) 17.170 28.930 ( 0.922 8.774 -0.704) 8.850 28.964 ( 0.309 9.725 -0.333) 9.736 29.057 ( 0.217 8.665 2.431) 9.002 29.194 ( -2.622 5.560 -5.605) 8.319 29.363 ( -1.033 -1.257 3.043) 3.450 29.466 ( 1.017 -3.335 0.675) 3.552 29.498 ( -0.107 -2.353 0.006) 2.355 29.615 ( -0.195 -1.798 1.277) 2.214 29.775 ( 0.205 3.251 -1.215) 3.477 29.880 ( -0.105 -0.780 -7.519) 7.560 29.988 ( -0.244 1.263 2.476) 2.790 30.137 ( 0.740 2.476 -4.651) 5.320 30.697 ( 0.561 -6.727 -0.526) 6.770 30.780 ( -0.992 -7.239 -1.115) 7.391 30.799 ( 1.711 -5.203 2.003) 5.832 30.932 ( -0.709 -4.930 -2.429) 5.541 31.034 ( 4.826 -7.224 0.362) 8.695 31.110 ( -3.966 -8.546 -3.082) 9.913 31.399 ( 3.661 -17.224 8.651) 19.619 31.537 ( 2.498 -18.074 4.560) 18.807 31.949 ( -1.356 -4.988 -3.619) 6.310 32.077 ( -2.552 -10.842 -3.613) 11.710 32.503 ( -6.161 -18.012 18.077) 26.252 33.044 ( 2.561 -24.924 -8.338) 26.406 ======================= Grid point 66 (30/60) ======================= q-point: (-0.25 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -12.822 14.749 2.569) 19.711 1.235 ( -6.940 15.624 9.727) 19.669 1.554 ( 12.937 0.521 -0.682) 12.966 1.691 ( 1.347 5.690 -5.119) 7.771 1.788 ( 5.041 6.521 -1.670) 8.410 1.861 ( -0.719 6.512 -7.584) 10.022 1.918 ( 5.176 4.570 -4.775) 8.395 1.969 ( 2.145 5.747 -3.253) 6.943 2.037 ( -1.159 5.934 -0.569) 6.073 2.084 ( -0.620 6.805 -2.259) 7.197 2.198 ( -1.389 10.596 5.630) 12.079 2.243 ( -3.295 10.518 6.907) 13.007 2.360 ( -3.395 3.545 5.601) 7.447 2.420 ( 0.756 5.236 2.507) 5.854 2.463 ( 0.203 2.781 -3.781) 4.698 2.510 ( 0.487 2.493 0.813) 2.668 2.558 ( -3.224 3.762 0.021) 4.955 2.596 ( 1.435 2.685 1.930) 3.604 2.718 ( 0.120 -2.007 0.545) 2.083 2.792 ( 3.457 -0.224 -3.563) 4.969 2.833 ( -0.214 1.710 -0.042) 1.724 2.857 ( 0.560 2.536 -0.665) 2.681 2.996 ( 0.114 6.398 -7.860) 10.135 3.109 ( -2.569 5.057 -2.523) 6.208 3.140 ( 3.558 -1.279 0.974) 3.904 3.254 ( 0.183 3.586 -1.458) 3.875 3.324 ( -5.222 -0.150 1.094) 5.338 3.344 ( -4.411 0.360 -0.432) 4.447 3.434 ( 1.285 1.717 0.377) 2.178 3.504 ( 0.648 5.471 -2.214) 5.938 3.607 ( 4.272 13.113 0.634) 13.806 3.699 ( 0.208 7.757 -2.750) 8.232 3.789 ( 0.238 19.110 0.251) 19.113 3.845 ( -2.013 16.462 -3.293) 16.908 3.922 ( -2.151 3.269 0.376) 3.931 4.085 ( -0.987 16.676 1.899) 16.813 4.134 ( -4.849 4.809 -3.061) 7.484 4.318 ( -2.678 8.863 2.528) 9.598 4.393 ( -0.507 6.904 7.502) 10.208 4.465 ( 7.937 3.515 1.349) 8.785 4.539 ( -0.565 6.084 1.699) 6.342 4.615 ( -2.966 0.279 -1.134) 3.187 4.724 ( 0.070 -1.127 1.510) 1.885 4.844 ( 2.221 -3.140 -3.083) 4.930 5.044 ( -8.250 -0.918 -2.217) 8.592 5.211 ( -1.321 -0.485 0.988) 1.719 5.297 ( -5.757 -2.027 2.356) 6.543 5.392 ( -0.274 -1.307 0.107) 1.340 5.531 ( 0.725 0.162 1.134) 1.356 5.677 ( -3.704 2.090 0.207) 4.258 5.775 ( 1.479 3.663 -0.721) 4.016 6.008 ( 2.467 0.080 2.498) 3.512 6.157 ( 5.053 4.231 -0.639) 6.621 6.335 ( -2.577 5.814 0.108) 6.360 6.462 ( 2.473 4.238 0.063) 4.907 6.541 ( -0.606 4.677 1.641) 4.994 6.708 ( 0.182 1.423 -1.270) 1.916 6.894 ( 2.023 5.151 -1.598) 5.761 7.159 ( 6.120 1.002 -2.218) 6.586 7.424 ( 6.433 9.326 -1.671) 11.452 7.491 ( 2.512 10.614 -0.255) 10.910 7.696 ( 2.513 9.426 -1.173) 9.826 8.032 ( -3.683 1.895 3.049) 5.143 8.093 ( -2.219 4.950 0.128) 5.426 8.268 ( -5.075 6.064 -2.154) 8.196 8.325 ( -5.162 2.832 3.645) 6.925 8.498 ( 1.107 1.801 0.874) 2.287 8.612 ( 0.497 -1.562 1.014) 1.927 8.729 ( 1.320 -3.078 0.289) 3.361 8.837 ( 1.825 -3.167 0.352) 3.673 8.898 ( -3.988 6.091 0.429) 7.293 8.952 ( 2.183 3.702 -0.865) 4.384 9.267 ( 4.769 7.628 1.837) 9.181 9.449 ( 3.740 7.717 0.013) 8.576 9.729 ( -2.480 8.514 3.729) 9.620 9.897 ( -3.408 11.482 -3.149) 12.384 10.136 ( 0.137 0.533 1.265) 1.380 10.219 ( 1.489 3.112 -3.151) 4.673 10.409 ( 2.576 1.100 -0.664) 2.878 10.464 ( -0.448 1.496 0.974) 1.840 11.032 ( 2.590 -1.508 -1.778) 3.485 11.093 ( 1.860 1.952 3.017) 4.046 11.231 ( 1.008 2.483 -0.934) 2.839 11.392 ( -4.957 8.651 0.434) 9.980 11.542 ( -1.003 11.927 -2.076) 12.148 11.590 ( -1.811 7.511 -0.817) 7.770 12.027 ( -0.319 -5.711 -0.149) 5.722 12.119 ( 0.244 -3.342 1.010) 3.500 12.472 ( 2.462 0.426 -1.437) 2.882 12.573 ( -0.641 -2.347 1.085) 2.664 12.866 ( -1.207 -5.234 2.337) 5.858 12.975 ( -2.712 -5.944 0.998) 6.609 13.074 ( 1.312 -8.223 0.377) 8.336 13.158 ( 4.549 -4.232 -0.047) 6.213 13.281 ( -3.683 -3.953 -1.407) 5.583 13.383 ( 3.935 -6.107 -4.573) 8.584 13.645 ( -2.228 -12.062 1.542) 12.363 13.697 ( -0.030 -13.974 -1.962) 14.111 13.946 ( -0.119 -8.357 -0.435) 8.370 13.982 ( -0.763 -10.337 0.017) 10.365 14.188 ( -1.477 -12.025 -0.159) 12.117 14.215 ( 0.016 -10.860 -0.503) 10.871 14.492 ( 4.499 -12.170 -2.353) 13.187 14.569 ( -1.630 -12.334 -1.692) 12.555 14.700 ( -1.394 -22.061 2.111) 22.205 14.786 ( -1.511 -22.263 -0.490) 22.320 14.818 ( -0.585 -20.027 1.212) 20.072 14.896 ( 0.210 -20.445 -0.764) 20.460 16.139 ( 0.838 26.131 3.872) 26.430 16.470 ( 3.548 27.372 -9.838) 29.302 17.379 ( -4.777 13.383 0.517) 14.219 17.532 ( -4.618 11.972 -1.822) 12.960 18.592 ( 4.217 22.112 0.597) 22.519 18.748 ( 5.004 23.428 -0.791) 23.970 20.158 ( -3.907 -10.655 -0.001) 11.348 20.314 ( -4.380 -7.433 -0.073) 8.628 21.205 ( 4.433 -6.806 0.298) 8.128 21.349 ( 2.403 -5.998 0.386) 6.473 21.717 ( -2.932 -3.317 -0.164) 4.430 21.820 ( -7.188 -2.438 0.835) 7.636 22.142 ( 5.154 6.049 1.459) 8.080 22.182 ( 8.723 7.223 -0.859) 11.358 22.596 ( -0.481 10.967 2.496) 11.258 22.700 ( 0.129 10.895 -1.089) 10.950 27.129 ( -0.027 6.151 -0.698) 6.191 27.166 ( 0.520 7.299 -1.360) 7.443 27.295 ( 0.442 7.015 5.707) 9.054 27.473 ( 0.381 7.282 -2.421) 7.683 27.803 ( 0.093 17.038 0.433) 17.044 27.882 ( 0.584 16.040 -0.083) 16.050 27.957 ( -0.632 18.388 1.710) 18.478 28.170 ( 4.534 13.558 -1.341) 14.359 28.914 ( -2.718 6.556 1.460) 7.246 28.961 ( 0.085 9.037 -1.971) 9.250 29.054 ( -0.564 11.070 4.872) 12.108 29.235 ( 6.454 9.599 -11.043) 15.992 29.353 ( 0.182 -1.364 1.471) 2.015 29.468 ( -0.024 -1.744 -1.148) 2.088 29.518 ( 0.959 -5.076 4.008) 6.539 29.638 ( 1.934 -3.675 -0.729) 4.216 29.789 ( 1.212 2.523 -0.957) 2.958 29.862 ( -0.227 0.915 -4.507) 4.604 29.971 ( -1.443 1.934 2.391) 3.397 30.144 ( -0.021 3.173 -6.415) 7.157 30.689 ( -0.197 -6.668 0.552) 6.693 30.773 ( -0.352 -6.767 0.048) 6.776 30.825 ( -0.345 -6.557 1.150) 6.666 30.926 ( 0.395 -5.224 -2.860) 5.969 31.002 ( -2.380 -8.778 -2.410) 9.408 31.142 ( 3.372 -7.268 0.135) 8.013 31.313 ( -14.345 -17.522 3.871) 22.973 31.515 ( -3.553 -16.073 0.446) 16.467 31.973 ( 2.755 -7.108 2.775) 8.113 31.997 ( -2.504 -6.765 -2.992) 7.809 32.421 ( -2.738 -14.899 21.382) 26.204 33.133 ( 5.228 -28.469 -7.109) 29.805 ======================= Grid point 67 (31/60) ======================= q-point: ( 0.00 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( 4.427 16.832 6.877) 18.714 1.622 ( 2.709 19.955 -4.148) 20.561 1.682 ( 2.678 1.429 -0.610) 3.096 1.761 ( 3.807 4.061 -3.885) 6.789 1.879 ( -5.748 6.644 -6.539) 10.952 1.964 ( -2.410 5.137 -3.734) 6.793 2.064 ( -0.446 1.757 -3.702) 4.122 2.104 ( 2.674 1.915 -3.735) 4.976 2.129 ( 0.560 4.837 -0.286) 4.878 2.178 ( 1.845 6.246 -2.845) 7.107 2.226 ( -3.715 0.253 3.944) 5.424 2.330 ( -1.016 0.870 1.164) 1.772 2.383 ( -4.196 3.655 1.570) 5.782 2.468 ( -3.665 3.118 -4.586) 6.647 2.519 ( 2.410 3.518 -0.625) 4.310 2.581 ( -2.218 5.004 0.488) 5.495 2.614 ( 0.069 6.170 -0.249) 6.175 2.677 ( -1.101 3.278 1.808) 3.902 2.753 ( 4.217 -1.550 6.347) 7.776 2.843 ( -2.329 4.280 1.014) 4.977 2.907 ( -1.760 2.694 3.696) 4.901 2.959 ( 4.117 4.188 2.409) 6.348 3.019 ( -3.797 -2.032 2.386) 4.924 3.072 ( -0.827 -0.618 0.170) 1.046 3.161 ( 4.094 0.787 -1.304) 4.368 3.224 ( -0.031 0.053 -3.895) 3.895 3.302 ( 4.970 4.128 -1.765) 6.698 3.354 ( -1.699 0.620 -1.704) 2.485 3.444 ( 1.619 0.144 2.596) 3.062 3.526 ( -1.682 -0.243 0.875) 1.912 3.740 ( -5.279 2.514 2.924) 6.538 3.759 ( 0.375 -2.506 -3.032) 3.951 3.869 ( -0.777 3.514 0.921) 3.715 4.082 ( 3.284 1.910 -0.151) 3.802 4.164 ( 2.484 4.060 2.018) 5.169 4.237 ( -1.766 8.269 -0.829) 8.496 4.321 ( 2.881 10.760 4.623) 12.060 4.405 ( -1.090 5.441 4.874) 7.385 4.544 ( 0.613 7.431 0.142) 7.457 4.579 ( 3.457 2.299 -2.467) 4.830 4.635 ( -1.917 4.608 -1.838) 5.319 4.709 ( 2.006 7.637 4.060) 8.879 4.868 ( 1.049 9.263 -4.726) 10.451 4.944 ( -7.530 6.513 -2.682) 10.311 5.020 ( 1.649 4.604 -0.310) 4.900 5.062 ( -0.275 4.378 -3.803) 5.805 5.289 ( 0.543 0.024 -1.668) 1.754 5.391 ( -0.885 -1.038 1.677) 2.161 5.619 ( 2.301 4.406 0.588) 5.005 5.699 ( -2.568 6.160 1.711) 6.890 5.835 ( 1.301 -1.009 -1.938) 2.543 5.998 ( 0.144 -0.355 0.853) 0.935 6.385 ( -3.450 8.449 1.440) 9.239 6.494 ( 1.576 8.852 0.830) 9.029 6.641 ( 0.059 12.802 -0.481) 12.811 6.695 ( -0.211 11.812 -0.988) 11.855 6.965 ( -0.596 18.712 0.024) 18.721 7.039 ( 3.504 16.297 -2.983) 16.934 7.407 ( 7.401 3.693 -0.525) 8.288 7.566 ( -9.139 5.123 0.571) 10.493 7.766 ( -1.668 10.451 0.563) 10.599 7.845 ( -1.806 9.405 1.242) 9.657 8.057 ( 4.891 4.679 -0.345) 6.778 8.131 ( -2.491 1.890 2.750) 4.164 8.222 ( 2.801 -1.642 -2.068) 3.849 8.277 ( -0.972 -2.115 2.242) 3.231 8.462 ( -1.335 -1.580 -1.144) 2.364 8.573 ( -0.021 -1.583 2.186) 2.699 8.734 ( -2.084 1.175 3.679) 4.389 8.897 ( -0.476 3.529 -3.132) 4.742 8.949 ( 6.069 3.659 -3.112) 7.740 9.038 ( -2.679 6.146 0.154) 6.706 9.544 ( 2.781 11.080 1.783) 11.562 9.646 ( -2.662 10.843 -2.296) 11.398 9.820 ( -3.702 5.332 5.828) 8.724 10.071 ( 4.060 8.862 -3.572) 10.382 10.207 ( 0.924 2.897 0.238) 3.050 10.344 ( -1.746 6.505 0.971) 6.805 10.485 ( -1.786 5.417 1.739) 5.963 10.571 ( 3.180 8.614 -2.219) 9.446 11.011 ( -4.290 0.650 0.535) 4.372 11.138 ( 3.901 -1.417 -4.624) 6.214 11.288 ( 1.722 -0.294 3.139) 3.593 11.341 ( -3.861 1.986 0.259) 4.349 11.783 ( 1.720 12.766 -0.367) 12.886 11.833 ( -1.782 13.024 -1.500) 13.231 11.957 ( 0.855 -1.974 0.364) 2.182 12.038 ( 0.372 -2.983 0.372) 3.029 12.465 ( -1.107 -6.802 -0.203) 6.895 12.484 ( 2.323 -9.881 -0.773) 10.180 12.722 ( -0.516 -11.861 2.658) 12.166 12.773 ( -1.710 -10.034 4.233) 11.023 12.921 ( -0.199 -3.825 0.830) 3.919 13.067 ( 0.366 -7.600 -0.717) 7.643 13.158 ( -1.010 -5.172 -1.767) 5.558 13.289 ( 0.940 -10.516 -3.691) 11.184 13.358 ( 0.632 -12.314 0.248) 12.333 13.405 ( 0.779 -15.292 -2.431) 15.504 13.701 ( -1.101 -15.005 0.341) 15.050 13.728 ( 0.486 -15.429 -0.202) 15.438 13.938 ( 0.375 -12.983 0.450) 12.997 13.986 ( -0.388 -13.100 0.133) 13.107 14.159 ( -0.465 -22.787 0.535) 22.798 14.215 ( 0.202 -20.579 -1.054) 20.607 14.313 ( 0.338 -17.175 0.235) 17.180 14.406 ( 0.874 -14.121 -0.591) 14.160 14.455 ( -2.548 -12.630 2.485) 13.121 14.568 ( 1.849 -13.454 -2.456) 13.801 16.683 ( 0.007 26.306 5.194) 26.813 17.002 ( 0.822 23.627 -9.372) 25.431 17.612 ( -0.535 11.062 1.790) 11.219 17.703 ( 0.072 12.724 -1.968) 12.876 19.202 ( -0.461 29.246 1.284) 29.278 19.261 ( 0.338 27.718 -1.169) 27.745 20.064 ( -1.226 0.361 0.731) 1.472 20.110 ( 1.700 -0.244 -1.331) 2.173 21.166 ( -0.026 -6.894 0.379) 6.904 21.189 ( -0.792 -7.279 0.721) 7.357 21.574 ( -2.360 -10.460 0.790) 10.752 21.607 ( 2.448 -9.987 -0.537) 10.297 22.334 ( -1.086 6.578 0.979) 6.738 22.389 ( 1.016 4.456 -1.081) 4.697 22.762 ( 0.025 5.630 2.088) 6.005 22.852 ( -0.059 4.963 -1.596) 5.214 27.278 ( -0.139 9.169 -0.556) 9.187 27.330 ( -0.089 9.168 -1.362) 9.269 27.461 ( -0.004 7.734 5.184) 9.311 27.623 ( -0.029 7.460 -2.685) 7.929 28.114 ( -0.204 12.809 0.626) 12.826 28.137 ( 0.057 12.640 -0.363) 12.645 28.278 ( 0.043 10.928 1.949) 11.100 28.367 ( 0.075 6.483 -1.809) 6.731 29.013 ( 0.084 7.284 2.095) 7.580 29.127 ( 0.251 7.254 -3.283) 7.966 29.254 ( -2.070 9.810 4.375) 10.939 29.345 ( 1.059 -2.642 0.439) 2.880 29.381 ( 0.185 -2.657 -0.586) 2.727 29.417 ( -1.147 -2.997 3.858) 5.018 29.513 ( 1.946 2.191 -5.992) 6.670 29.584 ( 1.616 -2.893 -3.814) 5.052 29.851 ( -1.136 5.149 0.921) 5.353 29.913 ( 0.046 5.595 -1.843) 5.891 30.040 ( -0.236 5.479 3.819) 6.683 30.248 ( 1.948 4.428 -6.603) 8.185 30.551 ( -3.092 -5.914 2.904) 7.278 30.579 ( 0.486 -7.669 1.165) 7.772 30.717 ( 0.609 -8.932 -0.484) 8.966 30.787 ( 0.085 -7.944 -1.340) 8.056 30.847 ( -1.309 -7.179 -0.269) 7.302 30.856 ( -0.433 -6.233 -0.296) 6.255 31.071 ( 2.054 -9.299 2.579) 9.866 31.153 ( -2.313 -13.623 -1.421) 13.890 31.860 ( 0.833 -5.952 -0.040) 6.010 31.886 ( 0.725 -5.904 -1.358) 6.102 32.156 ( 0.476 -12.720 14.322) 19.161 32.614 ( -0.462 -25.834 -7.477) 26.899 ======================= Grid point 68 (32/60) ======================= q-point: ( 0.25 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 6.863 8.339 5.666) 12.196 1.596 ( -2.910 15.696 -2.402) 16.143 1.658 ( -9.153 3.576 3.452) 10.415 1.755 ( -1.747 6.446 -6.040) 9.004 1.789 ( 0.968 7.945 -5.483) 9.702 1.929 ( -4.102 7.515 -3.573) 9.278 1.996 ( -1.700 8.052 -3.882) 9.099 2.087 ( -2.237 2.350 -3.929) 5.096 2.135 ( -0.847 5.184 2.642) 5.880 2.186 ( -0.066 3.440 2.194) 4.081 2.271 ( 3.453 2.770 -4.046) 5.997 2.293 ( 2.463 3.044 1.011) 4.044 2.369 ( 0.880 3.066 0.973) 3.335 2.423 ( 0.020 0.389 -2.314) 2.346 2.550 ( -0.065 2.889 -0.317) 2.907 2.598 ( 4.134 4.569 -1.614) 6.369 2.618 ( -0.631 6.176 2.135) 6.565 2.657 ( -0.175 1.521 -2.992) 3.361 2.765 ( -2.291 1.254 1.712) 3.123 2.842 ( 1.506 3.458 -0.797) 3.855 2.876 ( 0.414 5.919 1.229) 6.059 2.965 ( -3.580 2.993 1.825) 5.011 3.092 ( 2.099 -0.200 0.519) 2.172 3.119 ( 7.213 -1.942 3.805) 8.383 3.160 ( 0.371 1.370 0.556) 1.524 3.278 ( 1.153 2.599 -0.839) 2.964 3.337 ( 1.057 -0.075 2.872) 3.061 3.409 ( 3.657 0.423 1.889) 4.138 3.454 ( -1.871 0.748 2.949) 3.572 3.556 ( 5.613 -2.768 -2.443) 6.718 3.663 ( -2.243 3.815 1.833) 4.790 3.771 ( 0.752 0.318 -3.269) 3.370 3.848 ( 0.460 2.639 0.088) 2.680 4.090 ( -3.607 4.602 0.081) 5.848 4.190 ( 0.668 -1.255 -1.562) 2.112 4.218 ( -0.121 8.339 -0.155) 8.341 4.361 ( -1.433 3.432 -1.688) 4.085 4.460 ( 3.702 11.772 3.174) 12.742 4.536 ( -0.823 3.783 2.482) 4.598 4.614 ( 2.263 5.641 4.449) 7.533 4.655 ( -0.727 6.309 0.597) 6.379 4.705 ( 0.095 5.098 -4.103) 6.545 4.831 ( 1.082 12.412 1.464) 12.545 4.889 ( 2.267 3.473 -4.709) 6.275 4.987 ( 0.314 7.827 -0.916) 7.887 5.244 ( -2.571 -2.220 0.912) 3.517 5.290 ( 1.955 -1.632 0.194) 2.554 5.338 ( 0.397 1.348 1.957) 2.410 5.562 ( 0.489 1.524 -0.516) 1.682 5.736 ( 2.806 7.024 -2.849) 8.082 5.860 ( 1.608 1.372 -1.052) 2.362 5.996 ( -1.331 -0.337 2.996) 3.296 6.360 ( 0.416 6.365 -2.101) 6.715 6.435 ( -4.710 11.446 0.589) 12.391 6.649 ( 0.326 10.133 -1.458) 10.242 6.661 ( -2.554 12.781 -0.772) 13.056 6.925 ( -2.137 19.470 0.614) 19.597 7.016 ( -11.567 7.191 1.378) 13.690 7.317 ( 0.860 11.278 -0.870) 11.344 7.537 ( -2.854 10.493 -1.108) 10.931 7.741 ( -0.925 9.699 -0.346) 9.749 7.785 ( -2.714 11.059 -1.088) 11.439 8.109 ( -0.357 0.084 3.966) 3.983 8.152 ( 1.061 0.788 1.200) 1.785 8.321 ( 6.653 -1.219 0.162) 6.766 8.367 ( 8.084 0.336 2.722) 8.537 8.452 ( 1.665 -5.178 -1.576) 5.663 8.600 ( 2.268 2.047 1.152) 3.266 8.658 ( -3.065 1.548 -0.280) 3.445 8.875 ( -2.166 2.203 -2.538) 3.998 9.008 ( -0.499 7.443 0.273) 7.465 9.084 ( 4.354 4.222 -1.132) 6.170 9.503 ( -3.291 11.589 1.450) 12.134 9.581 ( -4.157 12.595 0.049) 13.263 9.851 ( 5.786 6.320 2.751) 8.999 10.147 ( 1.529 7.422 -0.392) 7.588 10.175 ( -3.396 4.324 0.505) 5.521 10.294 ( -3.204 4.861 -2.689) 6.413 10.440 ( -0.211 1.211 -0.324) 1.271 10.565 ( -3.905 9.671 1.493) 10.536 10.966 ( 1.128 0.523 -0.974) 1.580 11.150 ( -4.674 1.725 0.867) 5.057 11.292 ( 4.030 0.754 -0.916) 4.201 11.408 ( 4.499 1.286 -0.667) 4.726 11.766 ( -0.568 11.706 -1.239) 11.785 11.829 ( 0.605 8.032 0.432) 8.066 11.986 ( 1.463 3.599 -0.492) 3.916 12.064 ( 0.250 -3.397 0.900) 3.523 12.433 ( -1.206 -7.460 -0.503) 7.573 12.477 ( -3.112 -10.606 1.403) 11.142 12.684 ( -1.016 -11.742 1.372) 11.866 12.781 ( 0.798 -10.253 2.187) 10.514 12.942 ( 1.861 -2.415 0.620) 3.111 13.067 ( -1.201 -5.782 0.513) 5.928 13.161 ( 2.256 -6.508 -2.832) 7.447 13.279 ( -0.766 -10.322 -2.712) 10.700 13.362 ( -1.537 -13.748 -0.269) 13.837 13.393 ( -0.681 -13.899 -0.366) 13.920 13.710 ( 1.604 -16.172 -0.425) 16.257 13.745 ( 0.862 -15.652 -0.103) 15.676 13.944 ( -0.048 -15.091 1.217) 15.140 13.987 ( 0.697 -12.073 -0.614) 12.108 14.116 ( -2.817 -20.237 -0.260) 20.434 14.224 ( 0.308 -20.782 -0.310) 20.787 14.331 ( 1.143 -16.749 0.132) 16.789 14.407 ( -1.006 -14.226 0.360) 14.266 14.468 ( 3.300 -13.505 -0.107) 13.902 14.583 ( -0.188 -14.524 -0.669) 14.541 16.680 ( -0.869 26.367 5.286) 26.906 16.982 ( -1.218 24.596 -8.637) 26.097 17.621 ( 2.299 11.258 1.467) 11.583 17.758 ( 3.229 10.069 -1.907) 10.744 19.093 ( -4.039 29.282 0.292) 29.560 19.259 ( -5.187 28.353 -0.391) 28.826 20.049 ( 5.581 0.209 0.056) 5.585 20.254 ( 4.516 0.072 -0.149) 4.519 21.096 ( -2.028 -5.625 0.032) 5.980 21.194 ( -2.303 -6.171 0.607) 6.615 21.588 ( 4.259 -12.012 -0.589) 12.758 21.678 ( 2.744 -10.735 1.136) 11.139 22.238 ( -5.263 6.263 -0.073) 8.181 22.350 ( -5.813 7.673 -0.080) 9.627 22.762 ( 0.296 4.857 1.849) 5.205 22.853 ( -0.010 5.140 -1.337) 5.311 27.278 ( 0.262 9.210 -0.531) 9.229 27.325 ( -0.174 9.344 -1.138) 9.415 27.460 ( -0.767 7.755 5.059) 9.291 27.617 ( -0.091 7.669 -2.744) 8.146 28.103 ( -0.177 13.007 0.437) 13.016 28.150 ( -0.062 11.428 -0.124) 11.429 28.264 ( -0.095 12.484 1.172) 12.540 28.379 ( 0.394 7.573 -0.965) 7.645 29.041 ( 2.193 7.153 1.464) 7.624 29.131 ( 0.196 5.703 -2.972) 6.434 29.224 ( -0.551 11.242 2.332) 11.495 29.323 ( -2.806 -2.560 -1.217) 3.988 29.365 ( -1.822 -3.225 2.654) 4.557 29.410 ( -0.140 -0.694 2.500) 2.599 29.503 ( -1.444 1.126 -3.876) 4.287 29.593 ( -0.585 -1.777 -2.589) 3.194 29.847 ( 0.933 5.110 -0.163) 5.197 29.908 ( -0.141 5.872 -1.757) 6.130 30.043 ( -0.010 4.724 3.520) 5.891 30.241 ( -2.240 4.368 -5.415) 7.309 30.520 ( 1.316 -6.680 0.681) 6.842 30.598 ( 0.678 -8.434 1.266) 8.555 30.710 ( -0.451 -7.027 -0.351) 7.050 30.800 ( 1.833 -7.015 -0.164) 7.252 30.835 ( 0.637 -6.325 -1.073) 6.447 30.967 ( 6.313 -8.720 1.422) 10.859 31.045 ( -3.050 -11.847 0.885) 12.265 31.162 ( 2.136 -13.717 0.881) 13.911 31.867 ( -0.406 -5.917 -2.063) 6.279 31.900 ( 0.937 -6.877 -0.912) 7.001 32.194 ( 0.686 -14.315 13.655) 19.796 32.578 ( -1.416 -24.045 -7.671) 25.279 ======================= Grid point 69 (33/60) ======================= q-point: (-0.50 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( -8.230 6.534 2.998) 10.927 1.516 ( -3.002 11.033 4.944) 12.457 1.623 ( -1.657 8.031 -0.955) 8.255 1.749 ( 3.422 8.275 -0.934) 9.003 1.796 ( 3.271 6.237 -3.871) 8.037 1.885 ( 2.485 9.045 -4.414) 10.367 2.005 ( -3.078 7.169 -2.930) 8.334 2.047 ( 3.439 4.115 -7.038) 8.849 2.126 ( -0.251 3.480 0.506) 3.525 2.195 ( -0.229 3.290 -0.883) 3.415 2.296 ( 0.641 1.757 -1.290) 2.272 2.370 ( 1.966 3.024 0.414) 3.631 2.385 ( 0.927 2.910 3.005) 4.284 2.472 ( 4.706 1.872 0.964) 5.155 2.557 ( 0.293 4.006 -2.833) 4.915 2.576 ( -1.425 3.942 2.494) 4.877 2.627 ( -1.972 5.036 -2.424) 5.927 2.667 ( -0.110 1.964 -2.861) 3.472 2.739 ( -0.484 0.981 -4.936) 5.056 2.862 ( 0.454 3.386 -0.011) 3.417 2.914 ( 1.675 5.459 -4.417) 7.219 2.942 ( 3.459 6.294 -0.152) 7.183 3.032 ( -4.554 -1.553 5.670) 7.436 3.173 ( -2.488 4.775 2.426) 5.905 3.256 ( 1.225 1.621 2.246) 3.029 3.291 ( 3.076 1.479 0.711) 3.486 3.339 ( -0.782 3.244 7.616) 8.315 3.406 ( -4.731 -2.937 4.576) 7.207 3.464 ( -0.176 -2.418 6.650) 7.078 3.592 ( -0.767 1.768 -4.179) 4.602 3.703 ( 4.274 -0.054 -1.456) 4.515 3.759 ( -0.143 6.126 -0.716) 6.169 3.897 ( 1.954 -0.632 -2.701) 3.393 4.008 ( -2.745 4.409 -1.026) 5.294 4.167 ( -0.922 1.483 -2.360) 2.936 4.232 ( -0.240 5.086 -3.372) 6.107 4.340 ( 2.453 0.236 -1.704) 2.996 4.382 ( -5.394 5.384 -3.680) 8.463 4.523 ( -4.317 7.205 0.744) 8.433 4.607 ( -2.254 7.184 2.705) 8.000 4.680 ( 1.638 8.365 3.399) 9.176 4.781 ( 2.863 4.049 3.199) 5.901 4.852 ( 0.303 10.236 0.673) 10.263 4.945 ( -1.669 12.119 0.300) 12.237 5.081 ( 11.521 0.213 2.406) 11.771 5.155 ( -2.406 -2.332 3.897) 5.140 5.188 ( -3.082 0.176 -0.871) 3.207 5.377 ( -0.709 -1.690 -2.317) 2.954 5.645 ( -1.853 0.848 -3.159) 3.759 5.751 ( 1.123 -0.739 -2.025) 2.430 5.913 ( -0.324 2.538 -0.386) 2.587 5.986 ( 3.054 7.254 0.222) 7.873 6.304 ( -3.405 12.470 1.908) 13.066 6.439 ( 4.034 6.950 -3.863) 8.916 6.571 ( -4.465 4.685 2.584) 6.968 6.653 ( 0.189 11.417 -1.529) 11.520 6.855 ( 2.594 11.741 -0.764) 12.049 6.912 ( -1.638 16.178 1.507) 16.331 7.367 ( -2.040 11.443 -0.642) 11.641 7.472 ( 1.789 14.656 -1.322) 14.823 7.706 ( -0.389 13.320 0.404) 13.331 7.799 ( 2.992 8.231 -2.553) 9.122 8.104 ( -0.828 0.342 3.310) 3.429 8.144 ( -0.780 -1.321 3.090) 3.450 8.373 ( -0.862 -2.676 2.004) 3.452 8.461 ( -0.077 -0.389 -0.476) 0.620 8.521 ( 0.330 -2.413 2.108) 3.221 8.607 ( 0.753 1.271 -1.926) 2.427 8.715 ( 3.850 1.800 -0.102) 4.251 8.797 ( -3.931 5.131 -2.908) 7.088 8.989 ( -0.691 4.182 0.289) 4.249 9.105 ( 0.272 6.372 -0.837) 6.432 9.483 ( -2.678 15.194 2.429) 15.618 9.540 ( 3.122 11.947 -0.211) 12.350 9.961 ( 2.082 8.210 3.650) 9.223 10.106 ( -0.764 5.651 -2.734) 6.324 10.153 ( -1.604 1.845 1.244) 2.743 10.226 ( -0.815 -0.264 -1.884) 2.070 10.457 ( -1.651 8.479 0.552) 8.656 10.510 ( 1.917 6.320 -0.850) 6.659 11.034 ( 3.343 -0.457 1.084) 3.544 11.048 ( -2.650 1.640 0.637) 3.181 11.334 ( -1.641 5.756 -0.619) 6.017 11.486 ( 4.051 0.899 -3.865) 5.670 11.773 ( -2.565 8.054 0.370) 8.461 11.822 ( 0.883 9.190 0.607) 9.252 11.995 ( -1.254 0.256 -0.279) 1.310 12.054 ( 0.437 -1.150 0.922) 1.537 12.407 ( -1.447 -9.092 1.244) 9.290 12.445 ( 0.694 -8.478 0.745) 8.539 12.701 ( 1.828 -10.522 -0.762) 10.707 12.782 ( -0.604 -10.025 1.453) 10.148 12.985 ( 1.260 -3.994 1.956) 4.623 13.030 ( -1.242 -4.391 -0.460) 4.587 13.212 ( 2.202 -7.720 -2.280) 8.345 13.246 ( -2.755 -7.858 -2.286) 8.635 13.329 ( -0.094 -16.264 -0.238) 16.266 13.390 ( -0.055 -13.695 0.761) 13.716 13.737 ( 0.469 -16.324 -0.563) 16.340 13.754 ( 0.082 -15.096 -0.490) 15.104 13.943 ( -0.207 -13.553 1.529) 13.640 14.000 ( 0.028 -15.055 -0.929) 15.084 14.084 ( 0.603 -19.515 -0.760) 19.539 14.227 ( 0.127 -20.933 -0.218) 20.934 14.342 ( -0.468 -14.538 0.263) 14.548 14.399 ( 0.353 -15.223 -0.077) 15.227 14.515 ( 0.825 -13.695 -0.384) 13.725 14.565 ( -1.420 -15.282 0.329) 15.351 16.669 ( -0.648 27.100 5.175) 27.597 16.958 ( 0.330 24.939 -7.729) 26.112 17.671 ( 0.364 8.660 2.105) 8.920 17.782 ( 0.057 10.186 -2.747) 10.550 19.096 ( 0.401 29.193 0.517) 29.200 19.138 ( -0.268 28.320 -0.792) 28.332 20.204 ( 1.518 0.530 -0.110) 1.611 20.218 ( -1.930 0.876 0.406) 2.158 21.093 ( -1.546 -4.438 1.381) 4.898 21.160 ( 2.560 -6.345 -1.464) 6.997 21.646 ( -2.689 -12.014 1.827) 12.446 21.715 ( 2.728 -13.729 -1.058) 14.037 22.191 ( -1.281 8.099 1.244) 8.293 22.246 ( 0.872 9.253 -1.147) 9.364 22.770 ( -0.293 5.325 1.961) 5.682 22.851 ( 0.239 4.565 -1.410) 4.784 27.283 ( 0.156 9.068 -0.566) 9.087 27.325 ( 0.353 9.388 -1.194) 9.470 27.449 ( -0.691 8.210 5.148) 9.715 27.616 ( 0.336 7.542 -2.691) 8.015 28.108 ( 0.083 12.390 0.769) 12.414 28.138 ( -0.003 12.331 -0.491) 12.341 28.282 ( 0.316 11.755 1.869) 11.907 28.369 ( -0.529 9.367 -1.616) 9.520 29.075 ( -0.162 5.817 0.554) 5.846 29.134 ( 0.690 6.708 -2.337) 7.137 29.221 ( -0.496 7.439 0.364) 7.464 29.286 ( 1.291 3.074 -0.358) 3.354 29.344 ( -0.585 -1.381 4.593) 4.832 29.409 ( 0.199 -0.705 1.510) 1.678 29.466 ( -1.538 0.511 -3.535) 3.888 29.577 ( -0.462 -1.220 -1.585) 2.053 29.863 ( 0.435 5.286 -0.653) 5.344 29.910 ( 0.370 4.537 -2.138) 5.029 30.043 ( -0.384 4.251 3.269) 5.376 30.203 ( -0.171 3.934 -3.482) 5.257 30.548 ( 0.374 -8.148 -0.137) 8.158 30.609 ( 0.485 -9.340 -0.287) 9.357 30.704 ( -0.020 -4.992 0.542) 5.022 30.820 ( -0.056 -6.620 -1.584) 6.808 30.887 ( 2.437 -7.686 0.885) 8.111 30.936 ( -2.821 -8.754 -1.816) 9.375 31.095 ( 1.429 -13.377 5.216) 14.429 31.194 ( 0.846 -16.688 0.730) 16.725 31.851 ( -0.492 -4.860 -2.068) 5.305 31.900 ( -1.006 -7.201 -1.980) 7.536 32.196 ( -2.044 -13.390 11.257) 17.612 32.567 ( 1.460 -23.042 -6.389) 23.956 ======================= Grid point 70 (34/60) ======================= q-point: (-0.25 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( -2.653 17.356 0.697) 17.571 1.531 ( 2.449 11.235 4.431) 12.323 1.599 ( 4.967 7.223 -1.514) 8.896 1.768 ( -3.821 3.564 -5.728) 7.753 1.888 ( 4.004 4.706 -2.030) 6.504 1.977 ( 7.343 3.713 -2.534) 8.609 1.995 ( 2.216 6.268 -0.699) 6.685 2.075 ( -0.758 4.021 -6.663) 7.819 2.129 ( 0.292 3.813 -1.175) 4.001 2.177 ( -0.644 3.919 -2.863) 4.896 2.296 ( -1.554 2.873 2.639) 4.200 2.350 ( -1.884 1.828 1.785) 3.174 2.437 ( 0.777 3.650 3.724) 5.272 2.524 ( -2.387 2.489 -0.401) 3.472 2.539 ( -1.661 3.075 -7.192) 7.996 2.578 ( 0.214 3.144 -1.610) 3.538 2.597 ( 4.439 2.474 -0.204) 5.085 2.657 ( -1.332 4.575 1.126) 4.897 2.729 ( 0.073 0.786 -0.367) 0.871 2.842 ( -0.806 3.779 1.008) 3.993 2.918 ( 0.457 9.515 1.296) 9.614 2.959 ( -3.278 3.259 3.135) 5.586 3.067 ( 4.933 0.709 -0.398) 4.999 3.120 ( -1.236 2.520 1.286) 3.088 3.184 ( -7.983 -0.975 2.631) 8.462 3.264 ( -7.094 -0.245 -0.280) 7.103 3.288 ( -3.948 -1.338 0.085) 4.170 3.359 ( 1.336 2.241 2.341) 3.505 3.431 ( 0.191 0.170 3.371) 3.380 3.568 ( -2.044 0.823 0.446) 2.249 3.752 ( -0.008 1.381 -1.716) 2.203 3.793 ( 2.549 3.546 -2.172) 4.877 3.881 ( -2.083 1.361 2.588) 3.590 4.030 ( 3.538 2.622 -1.453) 4.637 4.150 ( -3.169 5.845 -1.943) 6.927 4.203 ( 2.211 6.864 -1.214) 7.313 4.319 ( 0.293 4.079 -0.045) 4.089 4.441 ( -1.341 4.331 2.869) 5.365 4.482 ( 3.959 3.635 1.280) 5.525 4.537 ( -0.712 3.245 1.518) 3.653 4.687 ( -2.944 8.903 -2.462) 9.695 4.735 ( -4.005 2.985 2.536) 5.602 4.850 ( -0.819 8.727 0.244) 8.768 4.916 ( 1.809 12.019 0.685) 12.174 5.088 ( -4.341 6.098 -4.931) 8.964 5.224 ( 2.447 -0.252 1.460) 2.861 5.282 ( -3.808 0.651 0.778) 3.941 5.359 ( 4.367 -1.330 1.274) 4.739 5.532 ( -1.849 0.245 -1.265) 2.254 5.734 ( 0.132 3.253 -2.353) 4.017 5.865 ( -4.334 5.354 -0.108) 6.889 6.017 ( -0.954 1.055 1.948) 2.413 6.336 ( 6.383 9.062 -1.294) 11.159 6.485 ( 0.131 4.838 0.802) 4.905 6.611 ( 3.010 13.868 -2.200) 14.361 6.672 ( 2.725 12.351 -0.900) 12.680 6.901 ( 1.823 18.493 0.724) 18.597 6.997 ( 7.718 7.104 1.281) 10.568 7.269 ( -2.139 12.358 -0.318) 12.546 7.597 ( 6.570 9.222 -2.804) 11.665 7.752 ( 4.083 15.127 -0.652) 15.682 7.848 ( 0.820 5.069 0.838) 5.203 8.063 ( -4.043 1.742 3.277) 5.488 8.141 ( 0.273 -0.631 1.179) 1.364 8.313 ( -4.639 -3.615 1.913) 6.185 8.360 ( -10.445 1.196 0.197) 10.515 8.477 ( -0.250 0.586 -0.821) 1.040 8.608 ( -3.341 1.648 0.822) 3.815 8.690 ( 3.002 -0.976 0.893) 3.280 8.848 ( 4.112 1.189 -2.495) 4.954 8.962 ( -2.919 3.955 -0.333) 4.927 9.107 ( -2.161 8.407 -1.114) 8.751 9.458 ( 2.351 11.856 1.192) 12.145 9.638 ( 4.494 11.120 0.328) 11.998 9.907 ( -5.458 8.589 5.197) 11.427 10.067 ( -2.258 4.875 -4.445) 6.973 10.168 ( 1.921 3.194 1.556) 4.039 10.314 ( 6.786 6.456 -1.978) 9.573 10.429 ( 1.039 1.886 -0.298) 2.173 10.558 ( 0.679 9.831 1.325) 9.943 11.011 ( 1.409 -0.141 -1.336) 1.947 11.128 ( 1.959 1.618 1.325) 2.865 11.268 ( -2.739 1.487 -0.919) 3.249 11.472 ( -5.782 1.412 -0.754) 6.000 11.740 ( 1.234 9.058 -1.174) 9.217 11.835 ( 0.580 9.410 0.287) 9.433 11.973 ( -1.283 2.648 -0.205) 2.950 12.056 ( -0.911 -3.116 0.772) 3.337 12.415 ( 2.573 -7.420 -0.510) 7.870 12.472 ( 1.028 -8.751 1.374) 8.918 12.719 ( -0.135 -10.164 1.643) 10.297 12.784 ( 0.476 -10.656 1.859) 10.827 12.953 ( -2.655 -4.102 1.114) 5.012 13.056 ( 1.502 -7.327 0.382) 7.489 13.186 ( -1.891 -6.794 -2.797) 7.587 13.250 ( 2.344 -7.962 -3.602) 9.048 13.346 ( 1.052 -14.257 -0.076) 14.296 13.391 ( 0.193 -15.108 0.061) 15.110 13.728 ( -0.803 -16.369 -0.724) 16.404 13.741 ( -1.483 -13.808 0.126) 13.888 13.937 ( -0.393 -12.443 0.989) 12.488 13.993 ( -0.258 -14.233 -0.372) 14.241 14.127 ( 2.747 -22.757 -0.359) 22.925 14.224 ( -0.493 -20.756 -0.326) 20.764 14.321 ( -1.081 -15.418 0.200) 15.457 14.409 ( -0.120 -15.146 0.284) 15.149 14.504 ( -1.797 -12.243 0.713) 12.394 14.541 ( -0.008 -14.505 -1.395) 14.572 16.672 ( 0.195 27.039 5.078) 27.513 16.977 ( 2.226 24.040 -8.342) 25.544 17.631 ( -2.556 10.854 1.706) 11.281 17.759 ( -2.817 10.234 -2.219) 10.844 19.097 ( 3.996 29.108 0.306) 29.383 19.258 ( 5.248 28.380 -0.414) 28.864 20.049 ( -5.442 0.111 0.054) 5.444 20.242 ( -4.687 0.516 -0.112) 4.717 21.091 ( 2.858 -5.641 0.088) 6.324 21.223 ( 1.143 -7.036 0.491) 7.145 21.576 ( -1.833 -11.227 -0.510) 11.387 21.685 ( -5.374 -11.320 1.058) 12.575 22.241 ( 6.420 5.635 -0.075) 8.542 22.345 ( 5.085 8.121 -0.072) 9.582 22.758 ( -0.510 5.230 1.735) 5.534 22.857 ( 0.179 4.809 -1.225) 4.966 27.282 ( -0.140 9.094 -0.576) 9.113 27.330 ( 0.239 9.116 -1.473) 9.237 27.451 ( 0.151 8.197 5.296) 9.760 27.621 ( 0.463 7.350 -2.603) 7.811 28.106 ( 0.127 13.207 0.445) 13.215 28.151 ( 0.124 11.158 -0.145) 11.160 28.267 ( -0.571 12.602 1.324) 12.685 28.372 ( 0.297 7.322 -1.100) 7.410 29.036 ( -2.453 5.999 1.333) 6.617 29.135 ( -0.376 8.166 -3.046) 8.723 29.247 ( 2.340 7.018 2.688) 7.871 29.322 ( 0.099 -0.417 2.816) 2.848 29.365 ( 2.388 -0.045 0.165) 2.394 29.422 ( 0.177 -3.559 2.280) 4.231 29.455 ( 2.231 4.185 -5.930) 7.594 29.572 ( 0.139 -2.252 -1.964) 2.991 29.865 ( -0.227 4.943 -0.107) 4.949 29.912 ( 0.199 4.904 -1.836) 5.240 30.040 ( -0.267 4.910 3.497) 6.034 30.218 ( 1.675 3.979 -4.440) 6.193 30.548 ( 0.355 -7.423 0.499) 7.448 30.608 ( -0.926 -9.105 0.326) 9.157 30.704 ( -0.130 -6.522 0.147) 6.525 30.812 ( -1.365 -7.143 -1.339) 7.394 30.833 ( -1.248 -7.229 -0.685) 7.368 30.991 ( 0.928 -8.260 0.148) 8.313 31.026 ( -5.401 -12.110 2.838) 13.560 31.197 ( -1.098 -15.710 0.243) 15.750 31.851 ( 0.368 -5.462 -0.492) 5.497 31.876 ( -0.305 -5.434 -1.422) 5.625 32.160 ( -2.340 -11.808 11.627) 16.736 32.604 ( 2.183 -24.936 -6.298) 25.812 ======================= Grid point 71 (35/60) ======================= q-point: ( 0.00 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( -0.553 9.516 2.100) 9.761 1.715 ( 2.650 3.417 5.804) 7.238 1.850 ( 2.315 8.306 -7.291) 11.292 1.950 ( -1.669 2.547 0.616) 3.107 1.995 ( -1.422 5.254 -2.188) 5.866 2.038 ( 3.579 7.446 -1.522) 8.400 2.089 ( 1.167 0.684 -4.589) 4.785 2.135 ( 0.633 2.269 -5.098) 5.616 2.215 ( -2.495 1.938 1.124) 3.353 2.246 ( 0.114 3.453 -0.629) 3.512 2.281 ( 0.160 4.471 -0.588) 4.513 2.350 ( -1.860 1.702 -0.526) 2.575 2.433 ( -1.656 1.772 2.031) 3.164 2.499 ( 1.910 -1.798 -2.328) 3.508 2.566 ( -1.652 1.603 0.539) 2.364 2.633 ( -0.149 2.654 -0.584) 2.721 2.692 ( 2.461 3.431 -0.362) 4.237 2.746 ( -2.540 3.384 -1.722) 4.568 2.785 ( 0.676 4.005 2.297) 4.666 2.892 ( -1.131 -0.217 -0.910) 1.468 2.917 ( -0.322 -0.858 1.402) 1.675 2.948 ( -0.110 -0.050 0.147) 0.191 3.055 ( 0.678 -1.230 4.442) 4.658 3.115 ( -2.136 3.245 9.980) 10.709 3.178 ( 3.204 2.255 -0.842) 4.007 3.270 ( -1.915 4.691 2.547) 5.671 3.338 ( 1.277 2.323 -0.137) 2.655 3.376 ( -1.799 0.780 0.556) 2.038 3.487 ( 2.153 3.097 -0.484) 3.803 3.538 ( -2.845 1.157 0.788) 3.171 3.707 ( 1.471 -1.797 0.260) 2.337 3.830 ( -3.389 6.309 -0.654) 7.192 3.914 ( 0.557 -0.176 -1.702) 1.799 4.044 ( 1.345 -1.303 -4.285) 4.676 4.190 ( -2.111 -0.448 3.171) 3.836 4.274 ( 1.967 0.010 1.127) 2.266 4.400 ( 1.070 -3.935 -0.357) 4.093 4.473 ( 4.014 -1.777 1.246) 4.563 4.595 ( 0.832 5.675 0.911) 5.808 4.708 ( -2.357 5.305 -1.845) 6.091 4.752 ( -1.481 6.243 0.560) 6.441 4.828 ( 6.309 4.459 2.676) 8.176 4.994 ( 0.027 4.113 -3.340) 5.298 5.039 ( -5.948 4.991 -4.556) 9.002 5.105 ( 0.816 0.713 -3.372) 3.542 5.142 ( -1.899 3.021 -1.167) 3.755 5.275 ( 2.589 -0.951 0.538) 2.810 5.349 ( -2.254 -2.595 1.962) 3.958 5.700 ( 7.076 2.742 -0.700) 7.621 5.786 ( -7.707 1.934 -0.677) 7.974 5.911 ( 2.359 6.397 -0.104) 6.818 6.030 ( -2.590 3.726 -0.755) 4.600 6.451 ( -2.374 0.877 0.600) 2.601 6.551 ( 4.909 1.049 -1.574) 5.261 6.953 ( 0.069 15.930 -0.237) 15.932 7.015 ( 0.098 13.635 0.673) 13.652 7.276 ( 3.834 9.729 -0.838) 10.490 7.365 ( -4.206 9.789 1.443) 10.752 7.613 ( 1.149 19.601 1.588) 19.699 7.703 ( -3.340 15.668 2.748) 16.254 7.935 ( 2.849 4.139 -0.524) 5.052 8.025 ( -0.866 0.121 -0.411) 0.966 8.061 ( -2.441 2.351 2.185) 4.032 8.132 ( 2.780 1.225 0.349) 3.057 8.176 ( 0.984 1.489 3.918) 4.305 8.312 ( -3.184 4.359 3.335) 6.345 8.492 ( -1.181 3.538 -1.207) 3.920 8.623 ( 0.354 3.452 -3.285) 4.778 8.717 ( 0.220 -1.154 2.802) 3.038 8.933 ( 5.411 0.351 -2.820) 6.112 9.009 ( -2.896 1.918 -4.830) 5.950 9.140 ( -0.554 2.449 -1.479) 2.914 9.784 ( 2.319 11.130 -0.436) 11.377 9.846 ( -0.628 11.199 -1.375) 11.301 9.975 ( -5.040 10.758 4.799) 12.812 10.194 ( 3.588 3.419 -0.917) 5.040 10.272 ( 1.582 7.171 -2.258) 7.682 10.425 ( -0.636 2.971 2.862) 4.174 10.683 ( -2.508 12.109 1.993) 12.526 10.771 ( 2.095 9.592 -1.817) 9.985 11.063 ( -3.842 5.018 -1.283) 6.449 11.135 ( 2.155 1.378 -3.141) 4.051 11.279 ( 3.224 -0.576 2.980) 4.428 11.352 ( -3.247 -1.113 0.120) 3.435 11.833 ( 2.293 -4.282 -0.329) 4.868 11.896 ( -1.604 -6.182 -1.632) 6.592 12.034 ( -0.503 4.000 0.657) 4.085 12.091 ( 1.470 4.293 -0.887) 4.623 12.227 ( 2.191 -13.243 2.104) 13.587 12.279 ( -1.005 -8.339 -0.333) 8.406 12.453 ( -3.172 -15.927 1.525) 16.311 12.496 ( -0.063 -17.731 2.665) 17.930 12.873 ( -0.124 -2.351 0.426) 2.393 12.952 ( 2.086 -2.224 -2.207) 3.764 13.045 ( -0.003 -4.553 0.557) 4.587 13.089 ( -0.728 -9.909 -1.143) 10.002 13.172 ( -0.534 -6.962 -0.191) 6.985 13.215 ( 1.626 -5.613 -1.477) 6.028 13.379 ( -0.395 -16.134 0.609) 16.151 13.404 ( -1.367 -15.549 0.849) 15.632 13.652 ( 0.721 -15.610 -0.312) 15.630 13.672 ( -0.473 -14.742 -0.211) 14.751 13.852 ( 0.808 -8.618 -0.446) 8.667 13.894 ( -0.404 -11.989 0.105) 11.997 14.079 ( -0.789 -8.476 0.764) 8.547 14.153 ( 1.619 -10.873 -1.570) 11.104 14.292 ( -1.763 -5.308 1.937) 5.919 14.369 ( 1.004 -7.711 -1.639) 7.947 17.150 ( -0.310 21.296 4.769) 21.826 17.404 ( 0.747 17.668 -6.462) 18.828 17.750 ( -0.257 2.614 2.471) 3.606 17.865 ( 0.005 3.657 -2.493) 4.426 19.784 ( -0.335 29.773 0.740) 29.784 19.817 ( 0.286 28.841 -0.692) 28.851 20.176 ( -0.651 10.463 0.534) 10.496 20.206 ( 0.883 9.586 -0.740) 9.655 21.011 ( -0.297 -9.339 0.266) 9.347 21.028 ( 0.031 -9.623 0.202) 9.625 21.310 ( -1.796 -16.586 0.694) 16.697 21.339 ( 1.708 -17.248 -0.540) 17.341 22.455 ( -0.788 5.964 0.242) 6.020 22.474 ( 0.850 4.479 -0.367) 4.573 22.817 ( -0.165 0.384 1.510) 1.567 22.887 ( 0.131 -1.061 -1.393) 1.757 27.456 ( -0.085 8.588 -0.601) 8.609 27.506 ( -0.002 8.624 -0.762) 8.658 27.590 ( -0.149 5.075 4.158) 6.563 27.736 ( 0.129 3.718 -2.517) 4.492 28.293 ( -0.311 5.709 0.395) 5.731 28.313 ( 0.276 5.408 -0.269) 5.422 28.429 ( -0.109 4.907 0.485) 4.932 28.455 ( 0.209 2.899 -0.530) 2.955 29.127 ( 0.387 3.831 1.325) 4.072 29.207 ( -0.573 0.568 -2.285) 2.423 29.261 ( 0.065 -4.225 0.042) 4.226 29.290 ( -0.104 -4.638 0.463) 4.662 29.410 ( 0.130 7.422 3.242) 8.100 29.489 ( -0.377 7.238 2.032) 7.527 29.544 ( -0.145 2.769 -2.161) 3.515 29.616 ( 0.908 3.838 -3.317) 5.153 29.976 ( -0.276 7.329 0.837) 7.382 30.039 ( 0.245 6.764 -2.143) 7.100 30.141 ( -0.239 4.024 3.094) 5.082 30.312 ( 0.991 1.925 -2.749) 3.499 30.426 ( 0.294 -7.033 0.990) 7.109 30.456 ( -1.198 -4.439 1.139) 4.737 30.537 ( 0.091 -8.516 0.484) 8.531 30.642 ( 0.318 -7.423 -1.723) 7.626 30.727 ( -0.314 -4.635 0.011) 4.646 30.756 ( -0.398 -3.761 0.224) 3.788 30.907 ( 1.255 -7.459 0.418) 7.576 30.913 ( -1.457 -10.561 0.055) 10.661 31.773 ( 0.301 -2.700 -0.270) 2.730 31.798 ( 0.337 -2.951 -0.786) 3.073 31.957 ( -0.083 -8.032 6.225) 10.162 32.190 ( -0.166 -17.731 -4.417) 18.273 ======================= Grid point 72 (36/60) ======================= q-point: ( 0.25 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( -2.987 3.451 3.324) 5.646 1.757 ( 0.801 6.157 1.701) 6.438 1.833 ( -0.693 9.205 -2.417) 9.542 1.925 ( -1.534 6.622 -2.779) 7.343 1.964 ( -0.896 8.828 -0.147) 8.875 2.050 ( 0.904 4.187 -1.834) 4.659 2.087 ( -3.303 3.768 -1.685) 5.286 2.153 ( 0.162 4.343 -4.904) 6.553 2.227 ( 2.187 3.383 -0.527) 4.063 2.289 ( 2.247 3.850 0.737) 4.518 2.310 ( -1.185 0.846 -3.445) 3.740 2.351 ( 5.141 2.424 -0.684) 5.725 2.415 ( -3.146 4.613 2.643) 6.177 2.438 ( -0.637 2.765 2.350) 3.685 2.526 ( -0.235 -4.109 -2.411) 4.770 2.656 ( 1.952 2.399 -3.240) 4.479 2.700 ( -0.761 4.041 3.246) 5.239 2.765 ( 0.935 5.296 -2.358) 5.872 2.814 ( 1.675 3.377 -0.694) 3.833 2.884 ( -0.745 0.705 -0.771) 1.283 2.963 ( 3.018 1.378 1.318) 3.570 3.008 ( 4.914 0.155 1.957) 5.292 3.048 ( -0.481 -0.632 1.825) 1.991 3.149 ( 3.889 3.226 0.895) 5.131 3.184 ( 0.224 1.240 2.180) 2.518 3.293 ( 2.052 0.077 2.305) 3.087 3.332 ( -1.330 -1.205 10.221) 10.377 3.417 ( 2.768 3.242 -1.810) 4.632 3.472 ( -0.525 0.779 1.826) 2.054 3.509 ( -1.241 -2.113 0.626) 2.529 3.750 ( 0.807 2.487 -0.588) 2.680 3.793 ( 0.893 4.004 -4.233) 5.895 3.910 ( -0.385 1.477 0.903) 1.773 4.056 ( -0.259 -1.941 -3.698) 4.185 4.189 ( 1.703 0.987 1.141) 2.275 4.294 ( -1.546 -1.096 -1.480) 2.405 4.402 ( 0.167 0.407 0.325) 0.547 4.525 ( 0.528 -0.353 0.468) 0.789 4.598 ( -3.463 1.920 -0.511) 3.993 4.663 ( 0.461 0.169 -1.464) 1.544 4.765 ( 2.381 6.237 8.403) 10.732 4.842 ( -3.056 4.730 -3.317) 6.536 4.916 ( 2.212 1.557 -2.470) 3.663 4.989 ( -2.260 1.306 -3.298) 4.206 5.102 ( 0.203 3.024 0.784) 3.130 5.219 ( -3.191 -0.025 -0.546) 3.238 5.266 ( -1.783 -0.355 -0.711) 1.953 5.381 ( 5.509 1.322 1.188) 5.788 5.611 ( -3.367 3.278 -1.136) 4.834 5.759 ( -1.313 -1.503 -1.454) 2.469 5.935 ( -2.233 -0.110 -0.329) 2.259 6.031 ( 4.580 5.062 -3.414) 7.632 6.423 ( -0.904 1.941 0.177) 2.148 6.561 ( -2.934 3.114 0.354) 4.293 6.919 ( -2.987 15.674 0.104) 15.957 6.993 ( -2.264 16.803 0.305) 16.958 7.210 ( -2.175 15.947 1.819) 16.198 7.393 ( -0.319 19.481 -0.287) 19.486 7.647 ( 2.354 19.609 -0.977) 19.774 7.714 ( 1.693 9.857 2.745) 10.371 7.937 ( -1.521 5.749 2.513) 6.456 7.979 ( -2.210 9.702 0.619) 9.970 8.061 ( -0.360 -4.346 1.547) 4.627 8.113 ( -1.861 -0.153 1.081) 2.157 8.264 ( 5.945 -4.015 0.787) 7.216 8.372 ( 8.236 2.582 2.633) 9.024 8.471 ( -1.411 5.649 0.362) 5.833 8.606 ( -2.071 -0.610 1.145) 2.444 8.731 ( 1.513 2.853 -4.246) 5.334 8.890 ( -3.823 -0.703 -0.514) 3.921 9.067 ( 3.234 -3.314 -5.203) 6.965 9.149 ( 0.582 2.444 -1.370) 2.861 9.764 ( -1.041 13.923 -0.983) 13.996 9.837 ( -1.831 13.420 1.461) 13.623 9.958 ( 2.909 5.398 1.722) 6.369 10.217 ( -2.277 2.816 1.754) 4.024 10.284 ( 1.235 5.420 -0.145) 5.560 10.444 ( -9.686 9.496 -1.346) 13.631 10.542 ( 5.135 10.752 -0.244) 11.918 10.805 ( -2.820 12.780 0.596) 13.101 10.974 ( -1.128 1.176 -0.859) 1.842 11.196 ( -4.711 2.014 -0.137) 5.125 11.310 ( 8.753 0.707 -1.021) 8.840 11.428 ( 5.416 0.693 0.913) 5.536 11.824 ( -0.239 -3.700 -0.843) 3.802 11.882 ( -2.908 -5.660 0.041) 6.363 11.985 ( -2.499 -2.501 0.017) 3.536 12.093 ( -2.506 -3.819 -0.888) 4.653 12.219 ( -1.958 -11.971 3.166) 12.537 12.278 ( 0.976 -1.407 0.222) 1.726 12.448 ( 2.907 -13.890 -0.736) 14.210 12.540 ( 2.657 -14.923 1.496) 15.232 12.884 ( 0.955 -2.896 0.937) 3.190 12.962 ( -1.209 -2.225 0.801) 2.656 13.038 ( -0.642 -4.060 -0.180) 4.115 13.080 ( 0.418 -10.818 -2.407) 11.090 13.148 ( -1.473 -6.575 0.066) 6.738 13.240 ( 0.564 -5.896 -0.408) 5.937 13.374 ( 2.074 -15.434 -2.288) 15.740 13.401 ( -1.052 -16.533 1.757) 16.659 13.649 ( -0.793 -15.595 0.046) 15.615 13.667 ( -0.103 -14.909 -0.205) 14.911 13.840 ( -1.157 -8.978 0.274) 9.056 13.904 ( 0.786 -11.521 -0.299) 11.551 14.099 ( 2.365 -8.896 -0.106) 9.205 14.170 ( -0.430 -10.626 0.261) 10.638 14.285 ( 1.279 -5.515 -0.072) 5.662 14.364 ( -1.220 -8.237 -0.587) 8.347 17.149 ( -0.359 21.383 4.601) 21.875 17.396 ( -0.592 18.066 -5.951) 19.030 17.757 ( 0.739 2.319 2.455) 3.457 17.885 ( 1.651 2.539 -2.698) 4.056 19.684 ( -3.184 30.758 0.127) 30.922 19.822 ( -5.800 28.818 -0.171) 29.396 20.162 ( 6.442 10.816 0.049) 12.589 20.339 ( 4.048 8.084 -0.011) 9.041 20.962 ( -0.731 -8.559 -0.146) 8.591 21.055 ( -1.307 -8.340 0.402) 8.451 21.292 ( 2.304 -18.321 -0.254) 18.467 21.394 ( 1.357 -17.926 0.413) 17.982 22.372 ( -2.958 7.632 0.081) 8.186 22.493 ( -2.743 7.152 -0.133) 7.661 22.795 ( -0.391 -1.193 1.072) 1.651 22.887 ( -0.624 -1.402 -0.934) 1.797 27.456 ( 0.171 8.554 -0.605) 8.578 27.503 ( -0.122 8.703 -0.691) 8.732 27.589 ( -0.397 5.147 4.081) 6.581 27.734 ( 0.038 3.903 -2.468) 4.617 28.286 ( -0.322 5.894 0.371) 5.915 28.313 ( -0.208 5.313 -0.261) 5.323 28.433 ( 0.397 5.143 0.478) 5.181 28.469 ( 0.879 2.330 -0.511) 2.542 29.144 ( 0.908 2.898 1.236) 3.278 29.192 ( -0.366 0.884 -2.238) 2.434 29.254 ( -0.747 -3.777 -0.074) 3.851 29.283 ( -0.457 -4.050 0.853) 4.164 29.422 ( 0.568 8.468 2.647) 8.890 29.471 ( -1.273 6.412 1.907) 6.809 29.542 ( 0.308 3.940 -2.557) 4.707 29.619 ( -0.416 3.235 -2.531) 4.128 29.973 ( -0.056 7.294 0.770) 7.334 30.038 ( -0.077 6.881 -1.974) 7.159 30.136 ( -0.515 3.997 2.926) 4.980 30.305 ( -1.692 1.580 -1.791) 2.927 30.409 ( -0.842 -4.813 0.842) 4.958 30.438 ( -0.279 -6.428 0.159) 6.436 30.566 ( 2.662 -7.657 -0.640) 8.132 30.661 ( 0.549 -7.706 -0.343) 7.733 30.732 ( 1.172 -3.791 -0.477) 3.997 30.800 ( 3.354 -7.433 0.979) 8.213 30.856 ( -2.833 -7.607 -0.115) 8.118 30.931 ( 0.293 -9.574 0.763) 9.609 31.777 ( 0.088 -2.942 -0.822) 3.056 31.803 ( 0.186 -3.104 -0.694) 3.186 31.974 ( 0.635 -8.690 6.088) 10.630 32.178 ( -0.180 -16.914 -4.325) 17.459 ======================= Grid point 73 (37/60) ======================= q-point: (-0.50 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 3.716 9.188 0.697) 9.935 1.749 ( -4.295 10.153 2.534) 11.312 1.788 ( -2.934 9.402 -0.708) 9.874 1.872 ( -2.432 6.172 -1.639) 6.833 1.944 ( 0.732 7.897 0.749) 7.966 2.047 ( 0.397 6.458 -0.495) 6.489 2.087 ( 2.295 1.919 -0.549) 3.041 2.150 ( -0.242 5.999 -3.200) 6.804 2.215 ( -2.016 2.269 -1.436) 3.358 2.259 ( -1.698 3.856 -5.165) 6.666 2.327 ( 1.939 1.170 1.786) 2.884 2.368 ( -1.012 1.124 1.262) 1.970 2.455 ( 3.369 -0.955 2.187) 4.129 2.502 ( 3.103 1.967 -2.533) 4.462 2.561 ( 3.728 -0.018 -3.349) 5.012 2.646 ( -2.478 4.186 1.203) 5.011 2.728 ( -0.082 5.003 -1.571) 5.244 2.755 ( 0.379 4.200 -2.989) 5.169 2.794 ( -2.118 2.887 -3.041) 4.698 2.863 ( -0.631 -1.143 0.787) 1.524 2.998 ( 1.741 2.904 1.078) 3.553 3.032 ( -1.086 0.850 3.311) 3.587 3.086 ( 0.298 6.027 0.125) 6.036 3.171 ( 0.545 -0.784 0.037) 0.956 3.270 ( -1.660 -1.895 6.249) 6.737 3.311 ( -0.540 0.467 4.754) 4.807 3.337 ( -0.096 -0.182 3.303) 3.309 3.413 ( -0.165 -1.504 2.846) 3.223 3.437 ( -0.128 1.583 2.977) 3.375 3.552 ( 2.198 -1.688 -0.335) 2.791 3.752 ( 0.661 2.310 -0.449) 2.444 3.811 ( 0.455 0.662 -4.681) 4.750 3.916 ( 0.758 0.777 1.578) 1.915 4.034 ( -0.824 2.666 -3.538) 4.506 4.196 ( 0.102 0.767 -0.143) 0.786 4.306 ( 0.006 2.898 -1.306) 3.178 4.367 ( 1.195 2.540 -3.471) 4.464 4.438 ( -5.791 1.565 -4.085) 7.257 4.569 ( -3.093 -0.192 1.386) 3.394 4.673 ( -0.925 1.009 0.583) 1.488 4.788 ( -2.229 1.555 1.622) 3.165 4.838 ( 3.213 1.593 1.968) 4.091 4.973 ( 5.412 0.226 1.994) 5.772 5.060 ( -2.840 0.907 1.806) 3.486 5.088 ( 2.347 0.773 2.526) 3.534 5.121 ( 1.697 -1.549 2.418) 3.336 5.223 ( 0.440 2.035 -4.480) 4.940 5.391 ( -1.524 0.906 -3.829) 4.220 5.659 ( -0.426 0.918 -2.263) 2.479 5.722 ( 0.165 -0.662 -0.935) 1.157 5.928 ( 1.513 -1.090 -0.703) 1.993 6.037 ( -2.350 -3.665 -1.583) 4.633 6.453 ( 2.078 5.900 -0.368) 6.266 6.509 ( 0.338 4.012 -2.057) 4.521 6.892 ( -0.468 22.963 0.354) 22.970 6.941 ( -0.627 16.941 0.594) 16.963 7.208 ( -1.679 19.894 3.999) 20.362 7.354 ( 0.447 23.936 -0.651) 23.949 7.649 ( -1.412 17.283 0.887) 17.363 7.763 ( 2.086 12.817 -0.392) 12.991 7.881 ( -2.901 2.753 5.376) 6.700 7.979 ( 1.240 7.787 0.249) 7.889 8.046 ( -0.037 -3.878 0.824) 3.965 8.135 ( 2.851 4.716 -1.228) 5.647 8.373 ( -2.715 -0.267 0.240) 2.738 8.431 ( 3.229 2.697 -0.143) 4.209 8.489 ( -0.132 -2.454 4.792) 5.386 8.574 ( -0.750 -2.887 1.154) 3.198 8.762 ( 2.066 0.592 -2.088) 2.996 8.825 ( -3.514 -1.797 -2.612) 4.733 9.051 ( -1.142 -0.174 -4.940) 5.073 9.176 ( 1.955 -0.267 -2.112) 2.890 9.771 ( -3.253 13.823 0.934) 14.232 9.811 ( 2.637 14.461 0.375) 14.705 10.036 ( 4.520 0.611 3.630) 5.829 10.161 ( -3.432 1.758 -0.936) 3.968 10.272 ( -3.194 8.518 0.412) 9.106 10.304 ( 1.252 12.919 -0.962) 13.015 10.684 ( 1.223 12.149 -0.865) 12.241 10.710 ( -0.716 13.268 -0.773) 13.309 11.013 ( 4.102 -0.477 2.077) 4.623 11.099 ( -3.189 2.958 -1.428) 4.578 11.431 ( -1.254 2.593 -1.469) 3.233 11.506 ( 3.285 0.661 0.314) 3.366 11.772 ( -4.285 -5.576 2.410) 7.434 11.852 ( 1.251 -5.487 -0.731) 5.675 11.967 ( 0.836 -8.683 0.085) 8.724 12.038 ( -0.717 -6.461 -1.857) 6.761 12.216 ( 0.101 -4.351 1.168) 4.506 12.291 ( 0.211 -4.554 1.717) 4.871 12.494 ( 0.830 -10.920 -1.150) 11.012 12.571 ( 0.159 -13.614 0.708) 13.633 12.907 ( 0.556 -3.681 2.199) 4.323 12.938 ( -0.732 -2.272 0.588) 2.458 13.018 ( -1.062 -7.037 -0.011) 7.117 13.075 ( -0.152 -7.874 -1.656) 8.048 13.148 ( 1.221 -5.790 -0.852) 5.979 13.232 ( -1.248 -4.656 0.432) 4.840 13.363 ( -1.545 -18.729 0.463) 18.799 13.449 ( 3.885 -14.196 -3.419) 15.110 13.626 ( -1.435 -16.037 1.381) 16.160 13.663 ( -0.042 -15.676 0.137) 15.676 13.838 ( 0.729 -7.910 -0.482) 7.958 13.905 ( -0.559 -11.972 0.231) 11.988 14.124 ( -0.857 -9.411 0.587) 9.468 14.168 ( 0.767 -10.059 -0.306) 10.093 14.314 ( 0.781 -6.718 -0.558) 6.786 14.335 ( -0.821 -7.912 -0.114) 7.956 17.148 ( -0.283 21.698 4.581) 22.178 17.380 ( 0.067 18.521 -5.618) 19.354 17.772 ( -0.089 1.276 2.656) 2.948 17.903 ( 0.322 1.952 -3.087) 3.667 19.685 ( 0.151 30.613 0.382) 30.616 19.710 ( -0.109 29.828 -0.454) 29.831 20.304 ( 0.670 8.999 -0.230) 9.026 20.321 ( -0.889 9.069 0.425) 9.122 20.983 ( -1.623 -7.395 0.112) 7.572 21.013 ( 2.166 -8.969 -0.379) 9.234 21.345 ( -1.547 -18.472 1.179) 18.574 21.391 ( 1.397 -19.233 -0.776) 19.299 22.362 ( -0.676 9.466 1.368) 9.588 22.423 ( 0.568 9.125 -1.290) 9.234 22.805 ( -0.098 -1.500 1.448) 2.088 22.870 ( 0.071 -2.336 -1.260) 2.655 27.460 ( 0.159 8.501 -0.678) 8.529 27.502 ( 0.111 8.626 -0.700) 8.655 27.586 ( -0.386 5.394 4.142) 6.812 27.733 ( 0.177 3.968 -2.412) 4.647 28.285 ( 0.183 5.957 0.449) 5.977 28.308 ( -0.144 5.318 -0.324) 5.330 28.440 ( 0.082 4.805 0.703) 4.856 28.476 ( -0.207 2.420 -0.770) 2.548 29.150 ( -0.667 2.035 0.484) 2.195 29.195 ( 0.829 0.318 -1.956) 2.148 29.243 ( 0.088 -2.679 -0.015) 2.681 29.280 ( 0.057 -3.480 1.488) 3.785 29.425 ( -0.746 8.449 1.445) 8.604 29.461 ( 0.269 5.875 2.689) 6.467 29.553 ( 1.046 6.154 -3.086) 6.963 29.597 ( -1.065 3.353 -1.869) 3.984 29.976 ( 0.173 6.548 0.774) 6.596 30.034 ( 0.057 7.028 -1.879) 7.275 30.131 ( -0.219 3.910 2.831) 4.832 30.274 ( -0.381 2.949 -0.901) 3.107 30.402 ( -0.243 -6.416 0.337) 6.429 30.445 ( 0.701 -6.546 -0.486) 6.601 30.597 ( -0.242 -6.433 -0.860) 6.495 30.668 ( 0.270 -8.980 -0.089) 8.985 30.759 ( -0.525 -5.090 -0.740) 5.170 30.787 ( 0.225 -5.896 -0.010) 5.901 30.880 ( 1.222 -9.015 2.186) 9.356 30.923 ( -0.477 -10.466 0.368) 10.483 31.774 ( -0.184 -2.618 -1.040) 2.823 31.801 ( -0.290 -2.987 -0.812) 3.109 31.983 ( -0.651 -8.691 5.282) 10.191 32.178 ( 0.704 -16.615 -3.674) 17.031 ======================= Grid point 74 (38/60) ======================= q-point: (-0.25 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( -1.261 10.944 2.609) 11.321 1.673 ( -0.298 9.042 4.318) 10.024 1.804 ( 3.410 9.319 -0.826) 9.957 1.880 ( 4.626 7.089 -9.850) 12.987 1.972 ( 0.865 4.070 0.743) 4.227 2.058 ( -0.039 4.270 -1.737) 4.610 2.092 ( -1.959 1.172 -1.144) 2.554 2.144 ( 0.345 6.897 -0.539) 6.927 2.198 ( 1.452 2.167 -0.992) 2.791 2.246 ( 0.541 3.546 -2.735) 4.511 2.345 ( -1.982 -0.515 0.478) 2.102 2.367 ( 0.857 1.493 2.014) 2.650 2.475 ( -1.599 -1.390 5.261) 5.672 2.512 ( -4.165 -1.270 -3.026) 5.302 2.562 ( -1.070 1.784 -4.630) 5.076 2.619 ( 1.438 1.047 -1.828) 2.551 2.692 ( -1.584 4.211 -1.226) 4.663 2.749 ( 1.987 4.727 -0.371) 5.141 2.803 ( -0.924 6.143 -0.016) 6.212 2.884 ( 2.129 0.794 -2.255) 3.202 2.971 ( -2.458 0.480 1.275) 2.810 3.031 ( -3.799 -2.166 -0.251) 4.380 3.058 ( -3.959 -2.494 3.481) 5.832 3.140 ( -0.278 1.358 3.368) 3.642 3.174 ( -4.349 3.682 5.835) 8.156 3.282 ( -1.554 1.136 5.112) 5.462 3.327 ( 0.307 4.760 1.440) 4.983 3.407 ( -0.990 3.037 0.841) 3.303 3.473 ( 0.194 2.698 0.489) 2.749 3.558 ( -0.315 -1.594 1.550) 2.246 3.728 ( -2.623 -2.075 -2.777) 4.347 3.861 ( 3.266 0.966 -1.947) 3.923 3.912 ( -1.785 1.673 2.255) 3.327 4.031 ( 0.782 2.374 -4.606) 5.240 4.209 ( -0.804 0.755 -0.667) 1.289 4.264 ( 0.626 1.666 0.691) 1.909 4.373 ( 0.461 -0.095 -0.227) 0.523 4.447 ( -3.710 -2.201 -2.007) 4.758 4.527 ( 8.058 3.277 0.411) 8.708 4.657 ( 0.144 6.451 2.396) 6.883 4.771 ( 0.679 3.465 1.744) 3.938 4.830 ( -2.801 2.474 -2.117) 4.295 4.947 ( -3.718 3.301 -0.464) 4.994 5.073 ( 2.078 2.280 0.417) 3.113 5.149 ( 4.846 -3.998 2.690) 6.834 5.205 ( -1.617 2.447 -5.895) 6.584 5.301 ( 0.567 0.207 2.154) 2.237 5.354 ( -1.111 -0.378 -1.018) 1.554 5.563 ( 0.008 3.297 -1.858) 3.785 5.784 ( 4.993 1.731 -1.158) 5.410 5.950 ( -2.227 2.067 -0.372) 3.061 6.039 ( 2.524 -1.500 -3.330) 4.440 6.418 ( -0.165 4.545 0.272) 4.556 6.552 ( -1.024 1.891 0.725) 2.269 6.911 ( 2.906 14.522 0.272) 14.813 6.991 ( 3.126 17.222 -0.108) 17.503 7.179 ( 1.573 16.377 1.696) 16.540 7.405 ( 1.851 22.303 -0.122) 22.380 7.613 ( -1.721 19.747 0.018) 19.822 7.790 ( -0.728 10.696 2.061) 10.917 7.866 ( 1.036 1.534 1.973) 2.705 8.005 ( 1.441 0.267 1.268) 1.938 8.072 ( 1.853 -1.106 1.218) 2.478 8.161 ( -1.888 11.507 0.975) 11.701 8.232 ( -8.438 -1.911 -0.411) 8.662 8.375 ( -3.608 -0.055 3.846) 5.274 8.508 ( -0.463 2.044 0.954) 2.303 8.629 ( 3.116 -2.692 2.118) 4.631 8.707 ( -2.848 2.775 -4.431) 5.954 8.830 ( 3.223 -0.677 -1.964) 3.834 9.053 ( 0.253 2.868 -5.058) 5.820 9.186 ( -1.797 -1.669 -1.471) 2.860 9.725 ( 0.990 14.583 -0.205) 14.618 9.855 ( 0.839 11.140 0.608) 11.188 10.067 ( -4.020 7.682 4.598) 9.814 10.143 ( 2.571 3.142 -1.594) 4.362 10.229 ( 0.369 5.321 0.032) 5.333 10.459 ( 9.726 9.832 -1.217) 13.883 10.543 ( -4.471 9.027 0.013) 10.074 10.812 ( 1.857 13.677 0.663) 13.818 11.036 ( 0.484 2.607 -1.200) 2.911 11.147 ( 4.966 0.379 0.434) 4.999 11.304 ( -8.269 2.211 -1.199) 8.644 11.470 ( -6.256 -2.480 0.816) 6.778 11.764 ( 2.660 -3.551 -0.698) 4.491 11.904 ( 2.995 -5.603 0.238) 6.358 11.995 ( 1.522 -1.052 -0.089) 1.853 12.065 ( 2.421 -3.449 -0.377) 4.231 12.204 ( -0.768 -7.663 0.500) 7.718 12.294 ( -0.375 -7.949 2.260) 8.273 12.481 ( -1.154 -12.571 -1.030) 12.666 12.551 ( -2.596 -15.273 1.794) 15.596 12.893 ( -1.719 -3.613 2.181) 4.557 12.927 ( -0.015 -2.628 -1.155) 2.871 13.027 ( 1.535 -5.762 -0.363) 5.974 13.083 ( 1.117 -7.197 -1.333) 7.404 13.174 ( 0.790 -6.940 0.160) 6.986 13.205 ( -0.861 -4.382 -0.869) 4.550 13.355 ( 0.874 -18.894 -0.596) 18.923 13.468 ( -2.369 -13.660 0.166) 13.865 13.625 ( 1.528 -15.603 -0.024) 15.678 13.671 ( 0.622 -16.333 -0.191) 16.346 13.843 ( -0.229 -6.940 0.371) 6.953 13.899 ( 0.066 -12.763 -0.360) 12.768 14.102 ( -0.923 -8.484 -0.220) 8.537 14.154 ( -1.758 -11.258 0.350) 11.400 14.323 ( -0.910 -6.463 1.123) 6.623 14.337 ( 1.768 -7.044 -1.760) 7.473 17.149 ( -0.232 21.611 4.734) 22.124 17.388 ( 1.306 18.160 -6.067) 19.192 17.760 ( -1.028 2.027 2.467) 3.355 17.889 ( -1.282 2.565 -2.725) 3.956 19.686 ( 3.185 30.683 0.129) 30.848 19.821 ( 5.827 28.842 -0.175) 29.426 20.162 ( -6.458 10.806 0.048) 12.588 20.333 ( -4.063 8.323 -0.003) 9.262 20.960 ( 1.228 -8.382 -0.127) 8.473 21.069 ( 0.452 -8.999 0.379) 9.018 21.288 ( -0.985 -18.173 -0.267) 18.202 21.396 ( -2.458 -18.005 0.421) 18.177 22.370 ( 3.364 7.586 0.075) 8.299 22.494 ( 2.385 7.241 -0.127) 7.625 22.795 ( 0.325 -1.105 1.084) 1.582 22.887 ( 0.719 -1.479 -0.947) 1.897 27.459 ( -0.083 8.547 -0.679) 8.574 27.504 ( 0.198 8.530 -0.769) 8.567 27.586 ( -0.120 5.318 4.219) 6.789 27.735 ( 0.281 3.799 -2.453) 4.531 28.293 ( 0.351 5.956 0.623) 5.998 28.307 ( 0.145 5.134 -0.509) 5.161 28.435 ( -0.515 5.043 0.619) 5.106 28.464 ( -0.724 2.612 -0.655) 2.789 29.131 ( -0.876 3.269 0.686) 3.453 29.210 ( 0.645 -0.300 -1.900) 2.028 29.254 ( 0.615 -3.374 -0.099) 3.431 29.286 ( 0.257 -3.956 1.037) 4.097 29.411 ( -0.616 7.408 2.520) 7.849 29.478 ( 0.853 7.006 2.241) 7.405 29.555 ( -0.553 3.618 -2.398) 4.376 29.597 ( 1.237 5.115 -2.842) 5.980 29.978 ( -0.047 6.693 0.866) 6.748 30.036 ( 0.286 6.916 -2.064) 7.223 30.136 ( 0.222 3.971 3.000) 4.982 30.288 ( 1.457 2.999 -1.554) 3.678 30.406 ( 0.848 -7.005 0.438) 7.070 30.458 ( 0.576 -5.615 0.273) 5.651 30.562 ( -2.455 -7.862 -0.675) 8.264 30.661 ( -0.992 -7.944 -0.379) 8.014 30.729 ( -0.581 -4.021 -0.397) 4.082 30.812 ( -2.453 -7.672 0.912) 8.106 30.864 ( 1.211 -6.287 0.004) 6.403 30.933 ( 0.043 -11.104 0.656) 11.124 31.770 ( -0.034 -2.516 -0.579) 2.582 31.795 ( -0.040 -2.639 -0.727) 2.737 31.966 ( -1.356 -8.064 5.365) 9.780 32.190 ( 0.670 -17.443 -3.799) 17.864 ======================= Grid point 75 (39/60) ======================= q-point: ( 0.00 0.45 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( -3.509 4.023 4.336) 6.877 1.782 ( -3.471 -1.247 5.709) 6.797 1.951 ( 1.528 3.255 1.410) 3.863 1.978 ( 2.503 2.799 -3.909) 5.421 2.042 ( -0.909 1.967 -0.689) 2.273 2.081 ( 1.370 -1.394 -2.748) 3.372 2.162 ( 4.123 2.920 -0.019) 5.052 2.181 ( -0.153 1.641 -1.031) 1.944 2.267 ( -0.186 0.854 -0.990) 1.321 2.288 ( 1.871 0.729 -1.608) 2.572 2.327 ( -0.234 1.011 0.885) 1.364 2.390 ( -1.307 -2.049 2.087) 3.204 2.411 ( -2.119 1.184 -5.620) 6.122 2.451 ( -0.002 -0.764 -3.776) 3.852 2.627 ( 0.891 4.442 3.027) 5.448 2.722 ( 1.146 -3.563 1.671) 4.099 2.742 ( 0.726 5.278 2.011) 5.694 2.778 ( 1.726 3.486 -0.137) 3.892 2.808 ( -1.814 0.317 1.708) 2.512 2.875 ( -0.493 -2.055 0.015) 2.114 2.929 ( 0.120 1.848 -1.628) 2.465 2.961 ( 1.305 -1.340 1.170) 2.206 3.043 ( 0.136 1.246 1.335) 1.832 3.092 ( -2.160 -3.182 1.239) 4.040 3.253 ( -0.131 5.191 0.477) 5.215 3.332 ( -2.378 -1.184 2.467) 3.626 3.412 ( 1.772 3.893 0.516) 4.308 3.424 ( -0.667 4.215 2.497) 4.944 3.516 ( -1.580 -0.410 2.427) 2.925 3.532 ( 0.191 -1.926 1.580) 2.499 3.714 ( 0.937 3.357 -0.324) 3.500 3.817 ( 0.391 -6.156 -2.830) 6.787 4.001 ( -1.828 8.917 -0.600) 9.122 4.088 ( -1.262 2.557 -4.393) 5.237 4.183 ( 0.334 -0.382 1.530) 1.612 4.238 ( 0.471 -6.783 0.708) 6.836 4.304 ( 1.518 0.738 -0.486) 1.756 4.388 ( 1.927 -5.656 0.002) 5.975 4.701 ( -1.350 4.674 -2.440) 5.442 4.761 ( -3.121 -0.631 -3.541) 4.762 4.853 ( 2.475 3.817 1.416) 4.765 4.883 ( 3.313 1.003 1.071) 3.623 5.049 ( -1.925 1.240 -0.726) 2.403 5.065 ( -4.776 -1.075 -2.965) 5.723 5.129 ( 3.276 2.368 -0.768) 4.115 5.164 ( 0.897 -0.715 0.015) 1.147 5.270 ( 1.394 1.199 0.959) 2.074 5.308 ( -1.734 -1.921 0.385) 2.616 5.759 ( 2.449 3.576 -1.818) 4.700 5.808 ( -3.886 -0.079 -1.635) 4.216 5.960 ( 0.878 1.834 -0.128) 2.037 6.052 ( 2.146 -4.120 -3.730) 5.957 6.501 ( -3.264 5.202 1.100) 6.239 6.575 ( 3.006 -0.450 -2.002) 3.640 7.113 ( 2.654 1.712 1.483) 3.490 7.134 ( -2.885 1.091 0.714) 3.166 7.499 ( 0.341 8.853 1.551) 8.994 7.515 ( -0.489 11.260 2.099) 11.465 7.794 ( 0.278 -4.898 1.115) 5.031 7.863 ( -0.911 -10.088 2.978) 10.558 7.964 ( 0.755 8.027 2.062) 8.322 8.065 ( 0.367 6.002 -0.007) 6.013 8.160 ( -0.735 6.595 5.665) 8.725 8.208 ( -0.844 5.646 4.998) 7.587 8.327 ( -0.582 8.929 2.242) 9.224 8.404 ( -2.722 -0.072 3.128) 4.147 8.559 ( 0.208 7.193 -3.595) 8.044 8.611 ( 2.308 -3.324 -6.169) 7.378 8.747 ( 0.201 2.787 0.783) 2.902 8.890 ( 2.550 -6.934 -3.337) 8.106 9.036 ( -2.617 2.943 -3.894) 5.539 9.115 ( 1.580 -3.813 -4.868) 6.382 9.980 ( -0.091 9.338 0.235) 9.341 10.041 ( 0.011 7.569 -0.635) 7.596 10.103 ( -2.759 0.495 2.646) 3.854 10.195 ( 2.572 -3.997 -1.180) 4.897 10.544 ( -1.055 16.228 -0.509) 16.270 10.569 ( 1.206 13.811 -0.376) 13.869 10.803 ( 3.113 -3.716 -0.864) 4.924 10.849 ( -3.566 -2.366 0.359) 4.295 11.154 ( 2.132 2.262 0.296) 3.122 11.183 ( -2.001 1.819 0.238) 2.714 11.275 ( -1.389 1.706 1.559) 2.697 11.333 ( 1.439 -0.447 0.369) 1.551 11.713 ( 1.182 -4.451 -1.079) 4.730 11.754 ( -0.750 -6.537 -1.122) 6.675 11.997 ( 0.270 -3.369 0.486) 3.414 12.037 ( -1.139 -5.886 0.871) 6.058 12.067 ( 0.187 -2.704 1.859) 3.287 12.140 ( 0.547 -10.127 -0.554) 10.157 12.235 ( 0.747 -2.980 0.138) 3.076 12.250 ( -1.122 -5.821 0.073) 5.929 12.858 ( 0.100 0.701 -0.061) 0.711 12.889 ( 0.667 -2.693 -1.003) 2.950 12.997 ( -0.075 -0.276 0.705) 0.761 13.014 ( -1.449 -0.654 1.439) 2.144 13.072 ( 1.614 -3.020 -0.354) 3.443 13.095 ( -0.528 -5.765 0.208) 5.793 13.162 ( 0.750 -4.522 0.569) 4.619 13.188 ( -1.855 -6.345 0.538) 6.632 13.479 ( 0.658 -1.793 -1.508) 2.433 13.510 ( 0.150 -3.701 -0.603) 3.753 13.718 ( -0.437 -3.936 -0.023) 3.961 13.738 ( 0.248 -4.837 -0.077) 4.844 13.966 ( -0.613 -2.538 0.294) 2.627 13.994 ( 1.311 -5.209 -0.997) 5.464 14.237 ( -0.641 -0.625 0.623) 1.090 14.262 ( 0.186 -3.297 -0.533) 3.345 17.498 ( -0.315 14.409 3.844) 14.916 17.676 ( 0.248 6.130 -2.189) 6.513 17.720 ( -0.002 -1.316 0.763) 1.521 17.850 ( 0.169 -4.776 -3.191) 5.746 20.308 ( -0.323 21.248 0.517) 21.257 20.329 ( 0.301 20.123 -0.373) 20.129 20.424 ( -0.235 13.887 0.268) 13.892 20.437 ( 0.302 12.574 -0.316) 12.582 20.814 ( -0.271 -9.209 0.221) 9.216 20.827 ( 0.253 -9.403 -0.022) 9.407 20.953 ( -1.020 -18.328 0.171) 18.357 20.965 ( 0.900 -19.579 -0.213) 19.601 22.553 ( 0.163 3.308 0.048) 3.312 22.556 ( -0.127 3.231 0.125) 3.235 22.804 ( -0.082 -0.512 0.538) 0.748 22.835 ( 0.075 -3.297 -0.742) 3.380 27.589 ( -0.114 4.757 0.531) 4.788 27.630 ( -0.100 1.369 1.551) 2.071 27.671 ( 0.041 5.534 -0.098) 5.535 27.754 ( 0.140 -1.960 -1.952) 2.769 28.356 ( -0.119 1.398 0.037) 1.404 28.364 ( 0.133 0.588 -0.055) 0.605 28.485 ( -0.009 1.278 -0.007) 1.278 28.490 ( 0.018 0.735 0.020) 0.735 29.165 ( 0.064 0.951 0.279) 0.993 29.190 ( -0.057 -1.787 -0.340) 1.820 29.209 ( -0.009 -0.530 -0.066) 0.534 29.224 ( -0.001 -2.026 0.212) 2.037 29.553 ( 0.019 5.854 1.367) 6.012 29.593 ( -0.104 2.262 0.773) 2.393 29.623 ( 0.021 4.208 -1.025) 4.331 29.666 ( 0.069 0.495 -1.172) 1.274 30.109 ( -0.065 5.471 0.710) 5.517 30.151 ( 0.065 2.974 -0.092) 2.976 30.186 ( 0.018 2.196 -0.437) 2.239 30.273 ( 0.133 -5.352 0.543) 5.381 30.366 ( 0.133 0.387 -0.498) 0.644 30.384 ( -0.597 -2.391 -0.066) 2.465 30.432 ( 0.478 -1.361 0.790) 1.645 30.496 ( -0.053 -6.781 -0.633) 6.811 30.685 ( 0.147 0.265 0.441) 0.535 30.716 ( -0.274 -1.148 -0.018) 1.180 30.764 ( -0.446 -3.711 0.452) 3.765 30.790 ( 0.377 -4.393 -0.495) 4.437 31.758 ( 0.073 0.920 -0.028) 0.924 31.776 ( 0.044 0.167 0.326) 0.369 31.847 ( -0.019 -2.310 1.272) 2.638 31.926 ( -0.033 -9.406 -1.818) 9.580 ======================= Grid point 76 (40/60) ======================= q-point: ( 0.25 0.45 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 1.191 6.967 2.475) 7.489 1.796 ( 3.378 -3.777 0.808) 5.131 1.972 ( -0.119 4.233 0.387) 4.252 1.988 ( -0.075 2.228 0.387) 2.263 2.062 ( 1.416 2.962 -2.271) 3.992 2.111 ( 1.183 -1.024 -3.406) 3.748 2.160 ( -1.208 4.708 2.051) 5.275 2.229 ( 0.556 0.587 1.533) 1.733 2.283 ( -0.967 2.759 -0.869) 3.050 2.310 ( -1.842 0.336 -0.117) 1.877 2.329 ( 0.143 0.524 1.126) 1.250 2.381 ( 1.520 1.727 -1.553) 2.776 2.405 ( 5.479 -1.403 -2.572) 6.213 2.474 ( 2.202 -2.196 -5.037) 5.920 2.594 ( -5.549 7.997 1.819) 9.902 2.689 ( -0.685 -0.515 2.473) 2.618 2.762 ( 2.377 2.079 -0.435) 3.187 2.804 ( 0.110 -1.181 2.727) 2.974 2.865 ( 2.938 2.820 2.130) 4.596 2.896 ( 1.748 0.455 0.695) 1.935 2.951 ( 2.281 -1.346 -2.880) 3.913 2.980 ( 0.381 -2.478 -0.614) 2.581 3.073 ( 4.005 3.298 2.398) 5.715 3.139 ( 4.068 -3.266 7.382) 9.039 3.251 ( -0.761 4.276 -1.280) 4.528 3.304 ( 0.393 -0.597 0.788) 1.064 3.361 ( -2.944 3.836 4.079) 6.326 3.442 ( -4.170 -3.468 3.585) 6.501 3.493 ( -0.819 3.251 -2.161) 3.989 3.515 ( 1.518 2.162 -0.045) 2.642 3.753 ( 2.248 -0.164 -1.426) 2.667 3.798 ( -1.255 -4.606 -3.245) 5.772 3.972 ( -0.975 7.504 0.729) 7.603 4.091 ( 1.519 -0.966 -2.253) 2.884 4.203 ( -1.030 1.729 -0.164) 2.019 4.250 ( 2.950 -1.043 -1.505) 3.472 4.385 ( 4.815 -0.947 1.643) 5.175 4.443 ( 4.532 -6.044 -0.850) 7.602 4.648 ( -4.419 2.609 -2.008) 5.510 4.674 ( -3.310 0.005 -1.710) 3.726 4.856 ( -6.366 3.790 1.692) 7.600 4.913 ( 0.295 2.769 2.447) 3.707 4.927 ( -3.084 -1.608 -3.156) 4.696 4.963 ( 0.075 -1.404 1.247) 1.879 5.134 ( -2.860 1.669 -0.696) 3.384 5.188 ( -4.396 -3.254 -1.903) 5.791 5.304 ( 0.486 3.554 -2.172) 4.193 5.368 ( 3.573 -2.474 -0.499) 4.374 5.676 ( -3.543 3.216 -1.854) 5.131 5.730 ( -2.120 -1.970 -1.234) 3.146 5.925 ( -3.760 1.955 -1.303) 4.434 6.023 ( -4.543 -5.790 -1.434) 7.498 6.502 ( 3.534 6.314 -1.366) 7.363 6.590 ( -0.267 -1.398 -0.037) 1.424 7.195 ( 6.919 12.758 2.193) 14.678 7.287 ( 6.987 8.327 -0.096) 10.871 7.470 ( -2.048 7.248 2.007) 7.795 7.505 ( 0.633 0.609 1.421) 1.670 7.807 ( 1.829 -3.216 1.382) 3.950 7.859 ( 0.126 -8.452 3.259) 9.059 8.001 ( 1.534 7.902 3.126) 8.635 8.084 ( 0.183 10.286 1.939) 10.469 8.163 ( 0.454 5.462 4.488) 7.084 8.209 ( 0.943 7.303 1.659) 7.548 8.302 ( -1.593 7.537 2.023) 7.965 8.388 ( 1.115 -2.947 3.331) 4.585 8.560 ( 0.208 3.795 -1.938) 4.266 8.612 ( -2.506 -3.210 -3.096) 5.115 8.753 ( 1.179 3.137 -2.150) 3.981 8.895 ( -3.279 -1.580 -1.016) 3.779 8.948 ( -2.693 -1.992 -6.397) 7.221 9.099 ( -1.943 -7.521 -5.898) 9.753 9.982 ( -0.571 6.446 0.336) 6.480 10.021 ( -0.967 2.952 2.335) 3.886 10.075 ( 0.103 9.280 -1.083) 9.344 10.235 ( 0.125 -4.150 0.090) 4.152 10.470 ( -0.141 14.369 0.073) 14.370 10.627 ( -5.213 2.811 -0.274) 5.929 10.770 ( 6.613 12.751 -0.062) 14.364 10.927 ( 2.561 -1.033 -1.001) 2.937 11.109 ( -2.652 11.102 -0.609) 11.431 11.213 ( -1.840 1.231 0.379) 2.246 11.282 ( 4.474 -4.017 2.725) 6.601 11.384 ( 3.459 -6.851 -0.174) 7.676 11.681 ( -2.075 -6.721 -0.215) 7.037 11.725 ( -3.075 -7.851 -0.229) 8.435 11.888 ( -7.092 -2.678 -0.234) 7.585 11.943 ( -5.782 -6.801 -1.941) 9.135 12.105 ( 3.010 -0.763 3.230) 4.480 12.211 ( 3.200 -8.610 0.567) 9.203 12.277 ( 3.228 -2.743 0.396) 4.254 12.313 ( 4.061 -5.199 -0.725) 6.636 12.873 ( 1.203 0.755 0.188) 1.433 12.899 ( 0.399 -3.073 -0.555) 3.148 12.970 ( -1.324 -0.627 0.043) 1.465 13.003 ( -1.321 -1.889 0.559) 2.372 13.057 ( -1.737 -2.598 0.622) 3.187 13.090 ( 0.065 -5.839 -0.080) 5.839 13.185 ( 1.872 -3.807 0.156) 4.245 13.203 ( 1.973 -4.969 0.286) 5.354 13.475 ( -0.968 -1.859 -0.993) 2.320 13.497 ( -1.105 -3.820 -0.340) 3.991 13.710 ( -0.221 -3.530 -0.466) 3.568 13.738 ( -0.191 -5.775 0.068) 5.779 13.978 ( 1.511 -2.818 -0.331) 3.215 14.007 ( -0.208 -5.562 0.373) 5.578 14.232 ( 0.264 -0.477 -0.127) 0.560 14.257 ( -0.585 -3.121 -0.317) 3.191 17.499 ( -0.113 14.489 3.701) 14.955 17.676 ( -0.088 7.135 -2.326) 7.505 17.720 ( 0.122 -2.151 1.152) 2.443 17.856 ( 0.645 -5.262 -3.241) 6.213 20.241 ( -2.063 24.263 0.102) 24.351 20.318 ( -4.960 18.153 -0.027) 18.819 20.431 ( 5.248 16.157 0.028) 16.988 20.523 ( 2.622 8.557 0.068) 8.950 20.773 ( -0.593 -9.238 -0.025) 9.257 20.875 ( -3.005 -12.245 -0.113) 12.609 20.909 ( 3.708 -15.508 0.152) 15.946 21.014 ( 1.178 -19.277 -0.007) 19.313 22.525 ( 0.039 7.564 0.250) 7.568 22.605 ( 1.716 2.149 0.034) 2.750 22.750 ( -3.603 -0.908 0.253) 3.724 22.817 ( -2.144 -5.091 -0.504) 5.547 27.589 ( 0.030 4.768 0.509) 4.795 27.629 ( -0.115 1.481 1.522) 2.127 27.670 ( -0.071 5.490 -0.067) 5.491 27.754 ( 0.100 -1.951 -1.912) 2.733 28.353 ( -0.091 1.625 0.058) 1.629 28.364 ( -0.113 0.542 -0.083) 0.560 28.487 ( 0.250 1.176 0.019) 1.202 28.494 ( 0.282 0.451 -0.019) 0.532 29.168 ( 0.120 0.552 0.181) 0.593 29.188 ( -0.086 -1.402 -0.266) 1.429 29.206 ( -0.260 -0.331 -0.112) 0.436 29.223 ( -0.077 -2.008 0.258) 2.026 29.554 ( -0.039 4.901 0.948) 4.992 29.581 ( -0.967 2.695 0.785) 2.969 29.635 ( 1.138 4.409 -0.899) 4.641 29.671 ( 0.243 1.076 -0.942) 1.451 30.103 ( -0.554 5.166 0.677) 5.240 30.149 ( -0.308 2.068 -0.100) 2.093 30.182 ( -0.144 2.996 -0.411) 3.028 30.268 ( -0.485 -4.301 0.987) 4.440 30.358 ( -0.212 0.792 -0.301) 0.874 30.389 ( -0.158 -1.338 0.054) 1.349 30.443 ( 1.203 -3.009 -0.242) 3.250 30.501 ( 0.272 -7.450 -0.522) 7.473 30.694 ( 0.513 -0.216 0.541) 0.776 30.721 ( 0.660 -1.741 0.081) 1.863 30.748 ( -0.872 -2.288 0.315) 2.469 30.791 ( -0.216 -4.993 -0.255) 5.004 31.760 ( 0.098 0.944 -0.146) 0.960 31.779 ( 0.097 0.033 0.309) 0.325 31.856 ( 0.537 -2.672 1.235) 2.992 31.926 ( 0.240 -8.970 -1.724) 9.137 ======================= Grid point 77 (41/60) ======================= q-point: (-0.50 0.45 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( 5.300 8.912 1.107) 10.428 1.861 ( 2.444 0.222 -0.811) 2.585 1.932 ( -3.625 5.710 -1.336) 6.894 1.984 ( -1.651 1.732 -1.002) 2.594 2.066 ( 0.093 5.200 -1.428) 5.394 2.120 ( 0.361 0.861 -4.092) 4.197 2.146 ( -0.773 3.134 2.293) 3.960 2.222 ( -2.249 -3.641 1.038) 4.404 2.239 ( 0.164 5.709 2.716) 6.324 2.293 ( -0.983 1.717 -1.587) 2.536 2.336 ( 0.141 -0.201 0.139) 0.282 2.364 ( 0.631 -2.761 -0.370) 2.856 2.450 ( -2.479 3.490 2.024) 4.736 2.528 ( 2.094 -1.204 -0.376) 2.445 2.572 ( 2.745 0.709 -1.078) 3.033 2.646 ( -3.557 -7.186 0.931) 8.072 2.755 ( -2.415 4.769 -1.653) 5.596 2.800 ( -0.421 0.622 -0.778) 1.081 2.904 ( 0.183 5.678 -0.444) 5.699 2.930 ( 2.160 5.713 -1.584) 6.310 3.000 ( 0.685 -1.082 3.726) 3.940 3.035 ( 0.506 -1.622 5.208) 5.478 3.117 ( -0.858 -0.106 5.232) 5.303 3.169 ( -2.055 -4.458 4.397) 6.590 3.249 ( 0.676 2.463 -0.401) 2.585 3.304 ( 1.216 -1.831 -0.233) 2.210 3.363 ( 2.438 2.349 0.835) 3.487 3.386 ( -0.291 0.521 2.486) 2.556 3.477 ( 0.601 2.899 -0.044) 2.961 3.541 ( -0.562 -2.284 -2.080) 3.140 3.761 ( -1.472 -0.367 -2.322) 2.774 3.774 ( -0.398 -2.423 -3.831) 4.551 3.988 ( 2.651 6.820 2.400) 7.701 4.120 ( 1.081 -3.208 0.064) 3.386 4.166 ( -0.512 4.387 -1.699) 4.732 4.290 ( -1.272 -4.868 -2.558) 5.644 4.456 ( 0.864 5.369 -1.172) 5.563 4.491 ( -3.087 2.312 -1.200) 4.039 4.575 ( -3.214 1.992 0.127) 3.784 4.653 ( 5.161 -3.567 -1.349) 6.417 4.789 ( 0.167 -0.062 1.852) 1.860 4.814 ( -2.520 -2.318 0.179) 3.429 4.983 ( 1.058 1.859 2.098) 2.996 5.045 ( -4.224 -3.489 0.708) 5.524 5.063 ( 3.652 -0.874 0.674) 3.816 5.084 ( 4.367 -1.459 2.914) 5.449 5.278 ( -1.126 3.767 -6.391) 7.503 5.358 ( -1.930 -3.818 -6.083) 7.437 5.694 ( 1.039 2.615 -1.837) 3.360 5.729 ( 1.124 0.095 -0.290) 1.164 5.887 ( 0.585 -1.377 -1.676) 2.247 5.930 ( -1.691 -5.151 -0.545) 5.449 6.554 ( -1.361 4.355 0.232) 4.569 6.588 ( 1.072 1.563 -1.359) 2.332 7.277 ( 2.004 16.421 0.930) 16.569 7.305 ( -2.508 17.474 1.779) 17.742 7.467 ( -1.274 3.125 3.692) 5.002 7.543 ( 1.302 -5.155 -0.100) 5.318 7.834 ( -2.629 -0.548 1.312) 2.988 7.878 ( 2.163 -4.385 2.879) 5.674 7.990 ( -1.717 12.808 4.925) 13.829 8.103 ( 0.792 8.398 0.754) 8.469 8.148 ( -0.804 12.145 1.595) 12.275 8.277 ( 3.189 3.698 -1.142) 5.015 8.315 ( 2.258 -3.154 6.264) 7.368 8.418 ( -0.147 -1.191 4.747) 4.897 8.537 ( -2.086 -2.873 -1.566) 3.880 8.554 ( -0.596 0.642 1.754) 1.961 8.734 ( -2.846 3.439 -5.501) 7.085 8.829 ( -0.850 2.801 -5.230) 5.994 8.949 ( 3.630 -6.947 -4.947) 9.268 9.068 ( -0.189 -10.212 -6.514) 12.114 9.968 ( -0.691 5.745 1.730) 6.039 10.016 ( 0.971 0.933 0.789) 1.561 10.097 ( 1.424 10.846 0.265) 10.943 10.211 ( -1.563 0.775 -0.598) 1.845 10.501 ( -1.680 10.475 1.000) 10.656 10.540 ( 1.488 7.106 -0.205) 7.263 10.877 ( -2.209 7.982 -0.176) 8.284 10.931 ( 2.269 4.669 -1.508) 5.406 11.102 ( 2.194 12.829 0.181) 13.016 11.161 ( -2.052 4.927 -0.809) 5.398 11.345 ( -0.772 -11.588 3.472) 12.122 11.440 ( 0.708 -10.664 -1.073) 10.742 11.644 ( -0.580 -4.215 1.129) 4.402 11.692 ( 0.013 -7.709 1.723) 7.899 11.812 ( 1.224 -3.319 -1.242) 3.749 11.857 ( -0.883 -6.555 -4.010) 7.734 12.161 ( 0.844 -1.368 3.450) 3.806 12.227 ( -1.450 -5.497 1.563) 5.896 12.327 ( 0.980 -3.695 -0.827) 3.911 12.352 ( -0.367 -6.026 -0.386) 6.049 12.874 ( -0.930 0.630 1.016) 1.515 12.911 ( -0.442 -2.585 -0.225) 2.632 12.964 ( 0.747 -0.130 -0.671) 1.012 12.982 ( 1.283 -1.824 -0.571) 2.302 13.042 ( -0.314 -3.919 0.398) 3.952 13.084 ( -0.589 -7.931 0.674) 7.981 13.195 ( -0.911 0.772 0.689) 1.379 13.262 ( 2.620 -5.614 -1.585) 6.395 13.447 ( -1.195 -2.050 0.420) 2.410 13.477 ( -0.361 -4.319 -0.243) 4.340 13.712 ( 0.399 -3.939 -0.825) 4.044 13.736 ( 0.045 -5.745 -0.051) 5.745 13.986 ( -1.102 -3.547 0.726) 3.784 14.008 ( 0.427 -5.462 0.027) 5.479 14.242 ( 0.410 -1.372 -0.517) 1.522 14.247 ( -0.003 -1.935 -0.348) 1.966 17.501 ( -0.166 14.545 3.704) 15.010 17.671 ( 0.081 8.617 -2.697) 9.030 17.724 ( -0.163 -3.283 1.676) 3.690 17.862 ( 0.239 -5.890 -3.337) 6.774 20.235 ( 0.051 23.506 0.276) 23.508 20.250 ( -0.031 23.077 -0.244) 23.079 20.508 ( -0.076 10.056 0.083) 10.057 20.525 ( -0.003 9.791 0.136) 9.792 20.797 ( -0.313 -11.060 -0.301) 11.069 20.813 ( 0.463 -11.456 -0.036) 11.465 20.975 ( -0.421 -16.040 0.814) 16.066 21.008 ( 0.409 -17.462 -0.638) 17.478 22.547 ( -0.297 9.055 1.137) 9.131 22.596 ( 0.244 7.826 -0.940) 7.886 22.727 ( -0.070 -5.469 0.979) 5.556 22.776 ( 0.080 -6.746 -1.069) 6.831 27.591 ( 0.053 4.679 0.467) 4.703 27.629 ( -0.098 1.653 1.549) 2.268 27.669 ( -0.031 5.485 -0.054) 5.485 27.754 ( 0.102 -1.976 -1.892) 2.737 28.353 ( 0.107 1.581 0.126) 1.590 28.361 ( -0.109 0.756 -0.148) 0.778 28.491 ( 0.009 1.029 0.056) 1.031 28.497 ( -0.028 0.271 -0.078) 0.284 29.169 ( -0.064 0.524 0.085) 0.535 29.187 ( 0.032 -1.141 -0.232) 1.165 29.203 ( 0.053 -0.362 -0.139) 0.391 29.223 ( -0.022 -2.140 0.327) 2.165 29.554 ( -0.167 4.350 0.328) 4.365 29.569 ( 0.004 3.144 1.055) 3.317 29.655 ( 0.309 3.686 -0.660) 3.757 29.667 ( -0.143 2.379 -0.888) 2.544 30.096 ( -0.017 4.872 0.701) 4.923 30.143 ( -0.057 1.330 -0.276) 1.360 30.181 ( 0.036 3.745 -0.246) 3.753 30.262 ( -0.219 -3.611 1.362) 3.866 30.360 ( 0.201 1.636 -0.309) 1.677 30.381 ( -0.074 -0.638 0.067) 0.646 30.465 ( 0.110 -5.153 -1.186) 5.289 30.499 ( -0.109 -7.224 -0.096) 7.226 30.697 ( -0.397 -0.652 0.528) 0.928 30.731 ( 0.392 -1.439 -0.348) 1.531 30.747 ( 0.489 -3.357 1.136) 3.577 30.783 ( -0.375 -4.557 -0.382) 4.589 31.761 ( -0.044 1.049 -0.193) 1.067 31.779 ( -0.088 0.125 0.216) 0.265 31.863 ( -0.131 -2.832 1.070) 3.030 31.930 ( 0.242 -8.859 -1.496) 8.988 ======================= Grid point 78 (42/60) ======================= q-point: (-0.25 0.45 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( -3.840 7.575 5.230) 9.974 1.851 ( -2.949 5.671 2.990) 7.057 1.908 ( 2.309 0.947 -2.994) 3.898 1.955 ( 0.101 0.663 -3.011) 3.085 2.060 ( -0.678 4.655 -1.226) 4.862 2.101 ( -1.960 1.002 -2.178) 3.097 2.137 ( -0.355 1.714 -0.298) 1.776 2.199 ( -0.917 -4.120 1.458) 4.466 2.266 ( 1.098 2.510 -1.211) 2.996 2.285 ( -1.354 2.726 -0.228) 3.052 2.335 ( -0.905 0.045 -0.850) 1.242 2.349 ( 2.130 0.644 1.732) 2.820 2.445 ( 1.409 0.384 -0.351) 1.502 2.510 ( -5.823 -0.614 -1.849) 6.140 2.600 ( 2.215 0.428 0.520) 2.315 2.632 ( 3.375 -2.246 -3.221) 5.177 2.731 ( -0.057 3.773 2.160) 4.348 2.808 ( 0.414 -1.115 1.854) 2.202 2.855 ( -4.281 1.521 2.643) 5.257 2.913 ( -5.033 -2.888 0.410) 5.817 2.946 ( -0.643 3.445 -2.692) 4.419 2.987 ( -3.136 -1.910 0.583) 3.717 3.093 ( -4.189 3.849 2.761) 6.324 3.140 ( -1.333 -0.595 6.452) 6.615 3.265 ( -0.738 4.960 0.157) 5.017 3.342 ( 2.762 4.041 0.550) 4.925 3.362 ( -0.857 -2.408 0.330) 2.577 3.431 ( 1.619 -2.687 3.180) 4.467 3.502 ( 1.785 2.003 0.925) 2.838 3.532 ( -0.235 -0.715 0.146) 0.767 3.720 ( -1.274 1.888 -1.890) 2.960 3.789 ( 2.012 -4.764 -3.015) 5.986 4.037 ( -0.038 8.868 1.669) 9.024 4.116 ( -0.419 4.850 -3.487) 5.988 4.186 ( 0.059 -3.383 1.150) 3.573 4.230 ( -1.042 -6.864 -1.960) 7.214 4.353 ( -5.555 1.774 0.621) 5.864 4.402 ( -4.801 -2.586 -1.603) 5.684 4.640 ( 7.847 7.522 -0.835) 10.902 4.766 ( 1.399 0.962 -1.535) 2.289 4.794 ( 3.530 -0.788 -0.519) 3.654 4.843 ( 2.051 1.096 1.047) 2.551 4.971 ( 0.265 0.394 0.281) 0.552 5.026 ( 3.433 -4.161 2.498) 5.944 5.147 ( 1.581 2.750 -0.689) 3.246 5.206 ( 0.038 -2.284 -3.834) 4.462 5.294 ( 2.194 0.322 0.319) 2.240 5.326 ( -0.309 -2.222 -2.781) 3.573 5.667 ( 1.188 7.029 -1.291) 7.245 5.784 ( 4.165 -2.862 -1.480) 5.266 5.937 ( 4.030 -2.160 -1.817) 4.920 5.961 ( 2.975 -3.494 -0.887) 4.674 6.520 ( -0.411 4.837 -1.500) 5.081 6.578 ( -1.631 -0.467 0.147) 1.702 7.173 ( -9.123 13.554 1.785) 16.435 7.295 ( -4.215 9.125 0.208) 10.054 7.461 ( 1.854 6.058 2.143) 6.688 7.520 ( -1.865 -0.300 1.374) 2.336 7.790 ( -0.664 -2.919 1.697) 3.442 7.885 ( -1.569 -6.509 3.336) 7.480 7.971 ( -1.093 9.402 3.147) 9.974 8.080 ( -1.502 6.111 0.758) 6.339 8.161 ( 0.335 10.055 2.342) 10.330 8.247 ( -3.982 1.115 4.614) 6.195 8.333 ( -0.345 6.283 3.910) 7.408 8.449 ( -0.384 1.822 4.099) 4.502 8.527 ( 2.432 2.710 -4.368) 5.687 8.584 ( 1.203 0.673 -1.616) 2.124 8.714 ( 2.445 0.552 -2.245) 3.365 8.839 ( 2.133 -2.152 -5.739) 6.490 9.033 ( 3.289 -3.686 -2.975) 5.767 9.072 ( 1.995 -6.210 -6.242) 9.028 9.972 ( 0.938 9.490 0.885) 9.577 10.045 ( 0.132 6.639 0.657) 6.673 10.111 ( 0.689 -0.224 0.253) 0.768 10.192 ( -0.767 -0.371 -0.137) 0.863 10.465 ( 0.897 14.923 0.060) 14.950 10.634 ( 5.172 2.071 -0.238) 5.576 10.746 ( -6.890 13.451 -0.169) 15.114 10.954 ( -2.251 -2.818 -1.052) 3.757 11.124 ( 0.341 5.905 -1.075) 6.012 11.192 ( 3.394 6.031 1.204) 7.024 11.287 ( -2.960 -5.175 2.503) 6.466 11.382 ( -4.998 -4.893 -0.112) 6.995 11.663 ( 2.110 -4.505 -0.690) 5.023 11.735 ( 3.099 -10.074 0.347) 10.545 11.904 ( 5.689 -2.484 -1.325) 6.348 11.925 ( 7.532 -4.783 -0.655) 8.946 12.126 ( -3.881 -3.029 2.987) 5.758 12.184 ( -2.737 -5.994 0.521) 6.610 12.298 ( -4.271 -5.539 0.245) 6.998 12.307 ( -2.976 -5.408 -0.660) 6.208 12.864 ( -0.331 0.535 0.299) 0.696 12.886 ( -0.745 -1.327 -0.687) 1.669 12.993 ( 0.431 -1.274 0.286) 1.375 13.012 ( 1.875 -0.515 0.110) 1.948 13.050 ( 0.394 -4.833 0.830) 4.920 13.080 ( 0.846 -7.271 0.277) 7.325 13.167 ( -1.330 0.832 -0.521) 1.653 13.252 ( -3.188 -7.630 0.834) 8.311 13.456 ( 1.631 -1.801 -1.038) 2.642 13.491 ( 1.448 -3.900 -0.545) 4.196 13.719 ( 0.371 -4.429 -0.493) 4.472 13.737 ( -0.103 -4.670 0.134) 4.673 13.974 ( 0.281 -3.437 -0.567) 3.495 13.994 ( -1.616 -5.007 0.603) 5.296 14.246 ( -0.102 -1.522 0.101) 1.529 14.253 ( 0.573 -2.113 -0.540) 2.255 17.500 ( -0.361 14.463 3.825) 14.965 17.674 ( 0.389 8.240 -2.773) 8.703 17.719 ( -0.276 -2.962 1.482) 3.323 17.857 ( -0.228 -5.517 -3.246) 6.405 20.242 ( 2.077 24.260 0.103) 24.349 20.318 ( 4.989 18.186 -0.029) 18.858 20.430 ( -5.277 16.037 0.029) 16.883 20.521 ( -2.664 8.782 0.067) 9.178 20.773 ( 0.672 -9.149 -0.030) 9.173 20.880 ( 3.179 -13.308 -0.124) 13.683 20.906 ( -3.740 -14.739 0.163) 15.207 21.015 ( -1.402 -19.260 -0.002) 19.311 22.523 ( 0.018 7.641 0.243) 7.645 22.605 ( -1.798 2.035 0.042) 2.716 22.751 ( 3.591 -0.920 0.255) 3.716 22.817 ( 2.186 -5.017 -0.508) 5.496 27.591 ( -0.095 4.667 0.487) 4.693 27.629 ( -0.080 1.544 1.579) 2.210 27.669 ( 0.080 5.525 -0.085) 5.526 27.754 ( 0.145 -1.983 -1.930) 2.771 28.356 ( 0.080 1.316 0.136) 1.326 28.361 ( 0.118 0.848 -0.160) 0.871 28.488 ( -0.256 1.108 0.019) 1.137 28.493 ( -0.266 0.569 -0.018) 0.629 29.166 ( -0.163 0.973 0.157) 0.999 29.189 ( 0.177 -1.539 -0.241) 1.568 29.206 ( 0.246 -0.595 -0.137) 0.658 29.223 ( 0.031 -2.163 0.281) 2.181 29.551 ( -0.055 5.347 0.858) 5.415 29.582 ( 0.857 2.428 0.861) 2.715 29.637 ( -1.133 4.155 -0.854) 4.390 29.670 ( -0.025 1.334 -0.976) 1.653 30.103 ( 0.458 5.260 0.728) 5.330 30.147 ( 0.339 2.348 -0.145) 2.377 30.182 ( 0.185 2.720 -0.440) 2.762 30.264 ( 0.332 -4.756 0.963) 4.864 30.360 ( 0.109 1.599 -0.291) 1.629 30.394 ( 0.790 -1.470 0.276) 1.691 30.437 ( -1.803 -2.988 -0.504) 3.526 30.501 ( -0.046 -7.506 -0.434) 7.518 30.688 ( -0.406 0.159 0.411) 0.599 30.729 ( -0.753 -2.342 0.188) 2.467 30.760 ( 0.676 -3.351 0.655) 3.480 30.782 ( 0.315 -4.225 -0.580) 4.277 31.758 ( -0.097 1.055 -0.086) 1.063 31.777 ( -0.123 0.241 0.249) 0.368 31.855 ( -0.683 -2.486 1.099) 2.803 31.930 ( -0.029 -9.289 -1.589) 9.424 ======================= Grid point 99 (43/60) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( -0.000 0.000 -0.000) 0.000 0.987 ( 0.000 0.000 0.000) 0.000 1.022 ( -0.000 0.000 -0.000) 0.000 1.066 ( 0.000 0.000 0.000) 0.000 1.641 ( -0.000 0.000 0.000) 0.000 1.657 ( 0.000 0.000 -0.000) 0.000 1.809 ( 0.000 0.000 -0.000) 0.000 1.828 ( -0.000 0.000 0.000) 0.000 1.944 ( 0.000 0.000 0.000) 0.000 1.986 ( 0.000 0.000 -0.000) 0.000 2.046 ( -0.000 0.000 -0.000) 0.000 2.082 ( 0.000 0.000 0.000) 0.000 2.103 ( -0.000 0.000 0.000) 0.000 2.128 ( 0.000 0.000 0.000) 0.000 2.335 ( 0.000 0.000 0.000) 0.000 2.387 ( 0.000 0.000 0.000) 0.000 2.470 ( -0.000 0.000 0.000) 0.000 2.553 ( 0.000 0.000 0.000) 0.000 2.667 ( -0.000 0.000 0.000) 0.000 2.670 ( 0.000 0.000 -0.000) 0.000 2.745 ( -0.000 0.000 0.000) 0.000 2.791 ( 0.000 0.000 0.000) 0.000 2.903 ( 0.000 0.000 0.000) 0.000 2.925 ( -0.000 0.000 -0.000) 0.000 2.970 ( 0.000 0.000 0.000) 0.000 3.015 ( 0.000 0.000 0.000) 0.000 3.077 ( -0.000 0.000 0.000) 0.000 3.155 ( 0.000 0.000 0.000) 0.000 3.209 ( 0.000 0.000 0.000) 0.000 3.246 ( 0.000 0.000 0.000) 0.000 3.331 ( 0.000 0.000 0.000) 0.000 3.380 ( -0.000 0.000 0.000) 0.000 3.490 ( 0.000 0.000 0.000) 0.000 3.533 ( -0.000 0.000 0.000) 0.000 3.801 ( 0.000 0.000 0.000) 0.000 3.900 ( 0.000 0.000 0.000) 0.000 4.034 ( -0.000 0.000 -0.000) 0.000 4.080 ( 0.000 0.000 0.000) 0.000 4.472 ( 0.000 0.000 0.000) 0.000 4.546 ( 0.000 0.000 0.000) 0.000 4.717 ( -0.000 0.000 0.000) 0.000 4.718 ( 0.000 0.000 -0.000) 0.000 4.794 ( 0.000 0.000 0.000) 0.000 4.905 ( 0.000 0.000 0.000) 0.000 4.992 ( 0.000 0.000 0.000) 0.000 5.085 ( -0.000 0.000 -0.000) 0.000 5.245 ( -0.000 0.000 0.000) 0.000 5.394 ( 0.000 0.000 0.000) 0.000 5.775 ( -0.000 0.000 0.000) 0.000 5.804 ( -0.000 0.000 0.000) 0.000 5.857 ( 0.000 0.000 0.000) 0.000 5.975 ( -0.000 0.000 0.000) 0.000 6.353 ( -0.000 0.000 0.000) 0.000 6.377 ( 0.000 0.000 -0.000) 0.000 6.448 ( -0.000 0.000 0.000) 0.000 6.451 ( 0.000 0.000 -0.000) 0.000 6.716 ( 0.000 0.000 0.000) 0.000 6.722 ( -0.000 0.000 -0.000) 0.000 7.238 ( 0.000 0.000 -0.000) 0.000 7.300 ( -0.000 0.000 0.000) 0.000 7.324 ( 0.000 0.000 0.000) 0.000 7.420 ( 0.000 0.000 0.000) 0.000 7.857 ( 0.000 0.000 0.000) 0.000 7.928 ( 0.000 0.000 0.000) 0.000 8.102 ( 0.000 0.000 0.000) 0.000 8.174 ( 0.000 0.000 0.000) 0.000 8.319 ( -0.000 0.000 0.000) 0.000 8.413 ( -0.000 0.000 0.000) 0.000 8.799 ( 0.000 0.000 0.000) 0.000 8.827 ( 0.000 0.000 0.000) 0.000 8.968 ( 0.000 0.000 0.000) 0.000 9.033 ( 0.000 0.000 0.000) 0.000 9.338 ( 0.000 0.000 0.000) 0.000 9.413 ( 0.000 0.000 0.000) 0.000 9.576 ( 0.000 0.000 0.000) 0.000 9.611 ( -0.000 0.000 0.000) 0.000 10.042 ( -0.000 0.000 0.000) 0.000 10.059 ( 0.000 0.000 0.000) 0.000 10.423 ( 0.000 0.000 0.000) 0.000 10.458 ( 0.000 0.000 0.000) 0.000 11.009 ( 0.000 0.000 -0.000) 0.000 11.013 ( -0.000 0.000 0.000) 0.000 11.127 ( 0.000 0.000 -0.000) 0.000 11.162 ( -0.000 0.000 0.000) 0.000 11.314 ( -0.000 0.000 0.000) 0.000 11.384 ( 0.000 0.000 0.000) 0.000 12.232 ( -0.000 0.000 0.000) 0.000 12.298 ( 0.000 0.000 -0.000) 0.000 12.447 ( 0.000 0.000 0.000) 0.000 12.486 ( -0.000 0.000 -0.000) 0.000 12.945 ( 0.000 0.000 0.000) 0.000 12.963 ( -0.000 0.000 0.000) 0.000 13.131 ( -0.000 0.000 0.000) 0.000 13.170 ( 0.000 0.000 0.000) 0.000 13.480 ( -0.000 0.000 0.000) 0.000 13.491 ( 0.000 0.000 0.000) 0.000 13.712 ( -0.000 0.000 0.000) 0.000 13.747 ( 0.000 0.000 0.000) 0.000 14.088 ( 0.000 0.000 0.000) 0.000 14.126 ( -0.000 0.000 0.000) 0.000 14.465 ( 0.000 0.000 0.000) 0.000 14.478 ( -0.000 0.000 0.000) 0.000 14.662 ( 0.000 0.000 0.000) 0.000 14.692 ( 0.000 0.000 0.000) 0.000 15.193 ( 0.000 0.000 0.000) 0.000 15.209 ( -0.000 0.000 0.000) 0.000 15.400 ( 0.000 0.000 0.000) 0.000 15.402 ( -0.000 0.000 -0.000) 0.000 15.680 ( -0.000 0.000 0.000) 0.000 15.687 ( 0.000 0.000 -0.000) 0.000 17.069 ( 0.000 0.000 -0.000) 0.000 17.069 ( -0.000 0.000 0.000) 0.000 18.249 ( -0.000 0.000 0.000) 0.000 18.252 ( 0.000 0.000 -0.000) 0.000 20.547 ( 0.000 0.000 0.000) 0.000 20.583 ( 0.000 0.000 0.000) 0.000 21.500 ( -0.000 0.000 0.000) 0.000 21.508 ( 0.000 0.000 0.000) 0.000 21.770 ( 0.000 0.000 0.000) 0.000 21.771 ( -0.000 0.000 -0.000) 0.000 21.929 ( 0.000 0.000 0.000) 0.000 21.973 ( 0.000 0.000 0.000) 0.000 22.361 ( 0.000 0.000 -0.000) 0.000 22.362 ( -0.000 0.000 0.000) 0.000 27.127 ( -0.000 0.000 -0.000) 0.000 27.129 ( 0.000 0.000 0.000) 0.000 27.272 ( 0.000 0.000 0.000) 0.000 27.305 ( -0.000 0.000 0.000) 0.000 27.347 ( -0.000 0.000 0.000) 0.000 27.375 ( -0.000 0.000 0.000) 0.000 27.484 ( -0.000 0.000 0.000) 0.000 27.503 ( 0.000 0.000 0.000) 0.000 28.683 ( -0.000 0.000 0.000) 0.000 28.685 ( 0.000 0.000 -0.000) 0.000 28.794 ( -0.000 0.000 -0.000) 0.000 28.799 ( 0.000 0.000 0.000) 0.000 29.395 ( -0.000 0.000 -0.000) 0.000 29.418 ( 0.000 0.000 0.000) 0.000 29.708 ( 0.000 0.000 -0.000) 0.000 29.723 ( -0.000 0.000 0.000) 0.000 29.801 ( -0.000 0.000 0.000) 0.000 29.851 ( 0.000 0.000 0.000) 0.000 29.932 ( 0.000 0.000 0.000) 0.000 29.968 ( 0.000 0.000 0.000) 0.000 30.865 ( -0.000 0.000 0.000) 0.000 30.881 ( 0.000 0.000 0.000) 0.000 31.003 ( -0.000 0.000 -0.000) 0.000 31.004 ( 0.000 0.000 0.000) 0.000 31.135 ( 0.000 0.000 -0.000) 0.000 31.175 ( -0.000 0.000 0.000) 0.000 31.597 ( -0.000 0.000 -0.000) 0.000 31.633 ( 0.000 0.000 0.000) 0.000 32.179 ( -0.000 0.000 -0.000) 0.000 32.182 ( 0.000 0.000 0.000) 0.000 33.922 ( 0.000 0.000 0.000) 0.000 33.936 ( -0.000 0.000 -0.000) 0.000 ======================= Grid point 101 (44/60) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 11.383 0.000 -20.424) 23.382 1.110 ( 11.089 0.000 -19.774) 22.671 1.166 ( 11.401 0.000 19.751) 22.805 1.218 ( 6.817 0.000 22.715) 23.716 1.508 ( -8.443 0.000 8.002) 11.632 1.677 ( -3.451 0.000 -9.950) 10.531 1.804 ( -12.060 0.000 -6.152) 13.538 1.816 ( -15.617 0.000 -6.228) 16.813 1.948 ( 4.254 0.000 -10.414) 11.250 1.995 ( 5.084 0.000 5.616) 7.576 2.041 ( 7.546 0.000 3.997) 8.539 2.087 ( 8.468 0.000 -13.127) 15.622 2.174 ( 6.858 0.000 14.873) 16.378 2.230 ( 3.372 0.000 10.792) 11.307 2.308 ( -0.452 0.000 -2.067) 2.116 2.353 ( -0.269 0.000 4.818) 4.825 2.500 ( 1.291 0.000 -4.505) 4.686 2.547 ( -1.353 0.000 -2.064) 2.468 2.613 ( 0.665 0.000 9.453) 9.476 2.678 ( -0.750 0.000 1.324) 1.521 2.714 ( -3.459 0.000 -3.952) 5.252 2.818 ( -1.767 0.000 -1.538) 2.343 2.869 ( -2.929 0.000 -0.082) 2.930 2.895 ( -1.128 0.000 -1.931) 2.236 2.978 ( -2.241 0.000 1.331) 2.607 3.028 ( -2.353 0.000 -0.184) 2.361 3.058 ( 6.719 0.000 -0.991) 6.792 3.167 ( -1.379 0.000 0.986) 1.696 3.223 ( -2.338 0.000 -3.822) 4.480 3.239 ( -1.010 0.000 2.334) 2.543 3.305 ( -3.232 0.000 -2.890) 4.335 3.361 ( -3.365 0.000 -3.516) 4.867 3.423 ( 2.205 0.000 -0.749) 2.328 3.550 ( -10.637 0.000 5.110) 11.800 3.684 ( 0.769 0.000 -1.102) 1.344 3.827 ( -1.383 0.000 -3.167) 3.456 4.020 ( 3.053 0.000 -4.983) 5.844 4.229 ( 1.813 0.000 2.581) 3.154 4.447 ( -0.331 0.000 1.238) 1.282 4.516 ( -2.182 0.000 -2.887) 3.619 4.636 ( 3.326 0.000 -1.840) 3.801 4.709 ( -0.845 0.000 3.204) 3.313 4.815 ( -5.413 0.000 1.578) 5.638 4.937 ( -4.404 0.000 1.883) 4.790 5.036 ( 13.555 0.000 3.421) 13.980 5.179 ( 10.219 0.000 2.054) 10.423 5.444 ( 10.307 0.000 0.411) 10.315 5.553 ( 8.765 0.000 3.291) 9.363 5.705 ( -5.796 0.000 -2.490) 6.308 5.822 ( 4.540 0.000 -8.921) 10.010 5.903 ( -5.129 0.000 -0.793) 5.190 5.931 ( 3.680 0.000 -3.132) 4.833 6.207 ( -7.922 0.000 2.494) 8.305 6.332 ( -3.746 0.000 -6.780) 7.746 6.394 ( -5.236 0.000 6.199) 8.114 6.477 ( -1.697 0.000 -3.469) 3.862 6.742 ( 2.553 0.000 2.258) 3.408 6.759 ( 3.932 0.000 1.840) 4.342 7.141 ( -8.663 0.000 3.277) 9.262 7.201 ( -8.319 0.000 -4.814) 9.612 7.294 ( 0.143 0.000 -4.158) 4.161 7.403 ( -2.061 0.000 3.621) 4.166 7.868 ( 2.077 0.000 1.121) 2.360 7.957 ( 1.210 0.000 -1.805) 2.173 8.134 ( 1.001 0.000 3.250) 3.400 8.198 ( 0.985 0.000 -2.174) 2.387 8.369 ( 4.855 0.000 1.909) 5.217 8.450 ( 5.823 0.000 -2.558) 6.360 8.715 ( -8.208 0.000 4.611) 9.415 8.785 ( -3.704 0.000 -1.781) 4.110 8.936 ( -2.141 0.000 -2.959) 3.653 8.995 ( -3.006 0.000 1.964) 3.591 9.284 ( -1.953 0.000 5.139) 5.497 9.396 ( -2.371 0.000 -3.730) 4.420 9.567 ( 0.521 0.000 -0.781) 0.939 9.643 ( 1.108 0.000 -1.159) 1.604 10.070 ( 2.345 0.000 -0.852) 2.495 10.084 ( 1.647 0.000 0.532) 1.731 10.406 ( -1.136 0.000 0.880) 1.437 10.431 ( -2.087 0.000 0.103) 2.089 10.971 ( -1.093 0.000 1.477) 1.837 11.066 ( 2.953 0.000 0.041) 2.954 11.114 ( 1.393 0.000 1.763) 2.247 11.153 ( -6.850 0.000 -1.984) 7.131 11.296 ( 5.080 0.000 -4.945) 7.090 11.488 ( 3.898 0.000 3.839) 5.472 12.250 ( 0.666 0.000 4.087) 4.141 12.305 ( -3.794 0.000 -3.898) 5.440 12.342 ( 2.478 0.000 -1.611) 2.955 12.507 ( -1.656 0.000 5.283) 5.537 12.931 ( 1.017 0.000 -0.124) 1.025 13.000 ( 1.122 0.000 -1.160) 1.614 13.120 ( 2.909 0.000 -1.181) 3.140 13.327 ( -7.631 0.000 4.827) 9.030 13.433 ( 9.811 0.000 -2.097) 10.032 13.529 ( 2.007 0.000 2.271) 3.030 13.738 ( 2.933 0.000 -0.510) 2.977 13.818 ( 3.188 0.000 1.181) 3.399 14.071 ( 0.295 0.000 -2.599) 2.615 14.145 ( -0.161 0.000 1.780) 1.787 14.483 ( 3.353 0.000 -1.628) 3.727 14.547 ( 2.914 0.000 4.827) 5.638 14.644 ( -1.320 0.000 -0.231) 1.340 14.687 ( -0.107 0.000 -0.477) 0.489 15.193 ( 0.339 0.000 1.099) 1.150 15.221 ( 1.050 0.000 -1.247) 1.630 15.334 ( -3.259 0.000 2.306) 3.992 15.365 ( -5.342 0.000 0.984) 5.432 15.719 ( 2.613 0.000 0.050) 2.613 15.729 ( 2.575 0.000 0.858) 2.714 17.111 ( 8.350 0.000 0.285) 8.355 17.226 ( 7.639 0.000 -1.002) 7.704 18.180 ( -4.876 0.000 2.209) 5.353 18.203 ( -4.582 0.000 -2.613) 5.275 20.563 ( 2.996 0.000 0.623) 3.060 20.642 ( 2.774 0.000 -2.743) 3.901 21.464 ( -4.270 0.000 0.657) 4.320 21.482 ( -1.820 0.000 0.011) 1.820 21.669 ( -4.239 0.000 1.368) 4.454 21.730 ( -2.805 0.000 -0.598) 2.868 21.952 ( 1.929 0.000 2.799) 3.399 22.013 ( 1.006 0.000 -1.649) 1.932 22.328 ( -1.775 0.000 2.277) 2.887 22.341 ( -2.225 0.000 -1.177) 2.517 27.076 ( -2.366 0.000 -1.887) 3.026 27.106 ( -3.701 0.000 2.302) 4.358 27.244 ( -1.478 0.000 0.366) 1.523 27.304 ( 0.034 0.000 -0.001) 0.034 27.341 ( 0.509 0.000 1.851) 1.919 27.378 ( 0.540 0.000 0.084) 0.546 27.422 ( -0.141 0.000 2.421) 2.426 27.550 ( -2.046 0.000 -2.511) 3.239 28.674 ( 0.039 0.000 0.209) 0.213 28.697 ( 0.254 0.000 -0.015) 0.254 28.870 ( 5.445 0.000 -1.650) 5.690 28.877 ( 5.237 0.000 -3.527) 6.314 29.417 ( 2.020 0.000 -1.771) 2.686 29.439 ( 1.337 0.000 3.106) 3.382 29.638 ( -1.923 0.000 6.934) 7.196 29.725 ( -4.162 0.000 1.531) 4.435 29.757 ( -2.981 0.000 -5.408) 6.175 29.781 ( -3.239 0.000 -4.191) 5.296 29.979 ( 2.992 0.000 -0.749) 3.084 30.026 ( 3.746 0.000 2.286) 4.388 30.820 ( -0.562 0.000 1.528) 1.628 30.910 ( 2.233 0.000 2.326) 3.224 30.979 ( -4.125 0.000 -3.237) 5.243 31.024 ( 0.010 0.000 -0.129) 0.130 31.121 ( 3.038 0.000 4.683) 5.582 31.320 ( -0.465 0.000 0.281) 0.543 31.620 ( 15.034 0.000 2.579) 15.254 31.923 ( 15.957 0.000 5.139) 16.764 32.080 ( -3.030 0.000 -0.542) 3.078 32.334 ( 7.969 0.000 0.324) 7.975 33.555 ( -20.657 0.000 -18.954) 28.034 33.784 ( -18.515 0.000 6.404) 19.591 ======================= Grid point 102 (45/60) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( -0.000 0.000 -0.000) 0.000 1.297 ( 0.000 0.000 -0.000) 0.000 1.300 ( -0.000 0.000 0.000) 0.000 1.345 ( -0.000 0.000 0.000) 0.000 1.464 ( -0.000 0.000 -0.000) 0.000 1.498 ( -0.000 0.000 -0.000) 0.000 1.500 ( 0.000 0.000 0.000) 0.000 1.567 ( 0.000 0.000 0.000) 0.000 2.027 ( -0.000 0.000 0.000) 0.000 2.045 ( -0.000 0.000 -0.000) 0.000 2.128 ( 0.000 0.000 -0.000) 0.000 2.131 ( -0.000 0.000 0.000) 0.000 2.249 ( -0.000 0.000 0.000) 0.000 2.299 ( -0.000 0.000 0.000) 0.000 2.337 ( -0.000 0.000 0.000) 0.000 2.425 ( -0.000 0.000 0.000) 0.000 2.529 ( -0.000 0.000 0.000) 0.000 2.554 ( -0.000 0.000 0.000) 0.000 2.612 ( 0.000 0.000 0.000) 0.000 2.623 ( -0.000 0.000 -0.000) 0.000 2.766 ( -0.000 0.000 -0.000) 0.000 2.783 ( -0.000 0.000 0.000) 0.000 2.816 ( -0.000 0.000 0.000) 0.000 2.877 ( -0.000 0.000 0.000) 0.000 2.932 ( -0.000 0.000 0.000) 0.000 2.947 ( -0.000 0.000 -0.000) 0.000 3.143 ( -0.000 0.000 0.000) 0.000 3.151 ( -0.000 0.000 -0.000) 0.000 3.167 ( 0.000 0.000 0.000) 0.000 3.183 ( -0.000 0.000 -0.000) 0.000 3.241 ( -0.000 0.000 0.000) 0.000 3.370 ( 0.000 0.000 -0.000) 0.000 3.379 ( -0.000 0.000 0.000) 0.000 3.485 ( -0.000 0.000 0.000) 0.000 3.727 ( -0.000 0.000 0.000) 0.000 3.805 ( -0.000 0.000 0.000) 0.000 4.119 ( -0.000 0.000 0.000) 0.000 4.149 ( 0.000 0.000 -0.000) 0.000 4.459 ( -0.000 0.000 0.000) 0.000 4.546 ( -0.000 0.000 0.000) 0.000 4.685 ( 0.000 0.000 -0.000) 0.000 4.699 ( -0.000 0.000 0.000) 0.000 4.745 ( -0.000 0.000 0.000) 0.000 4.888 ( -0.000 0.000 0.000) 0.000 5.227 ( -0.000 0.000 0.000) 0.000 5.383 ( -0.000 0.000 -0.000) 0.000 5.411 ( 0.000 0.000 0.000) 0.000 5.618 ( -0.000 0.000 -0.000) 0.000 5.724 ( -0.000 0.000 0.000) 0.000 5.843 ( -0.000 0.000 -0.000) 0.000 5.892 ( 0.000 0.000 0.000) 0.000 5.902 ( -0.000 0.000 -0.000) 0.000 6.198 ( 0.000 0.000 0.000) 0.000 6.239 ( -0.000 0.000 0.000) 0.000 6.316 ( -0.000 0.000 0.000) 0.000 6.436 ( -0.000 0.000 0.000) 0.000 6.779 ( -0.000 0.000 0.000) 0.000 6.846 ( -0.000 0.000 0.000) 0.000 7.030 ( -0.000 0.000 -0.000) 0.000 7.063 ( 0.000 0.000 0.000) 0.000 7.304 ( -0.000 0.000 0.000) 0.000 7.376 ( -0.000 0.000 0.000) 0.000 7.909 ( -0.000 0.000 0.000) 0.000 7.958 ( -0.000 0.000 0.000) 0.000 8.142 ( -0.000 0.000 0.000) 0.000 8.197 ( -0.000 0.000 0.000) 0.000 8.499 ( 0.000 0.000 0.000) 0.000 8.516 ( -0.000 0.000 0.000) 0.000 8.628 ( 0.000 0.000 0.000) 0.000 8.673 ( -0.000 0.000 0.000) 0.000 8.925 ( -0.000 0.000 -0.000) 0.000 8.944 ( -0.000 0.000 0.000) 0.000 9.309 ( 0.000 0.000 0.000) 0.000 9.331 ( -0.000 0.000 -0.000) 0.000 9.577 ( -0.000 0.000 0.000) 0.000 9.651 ( -0.000 0.000 0.000) 0.000 10.100 ( -0.000 0.000 0.000) 0.000 10.101 ( 0.000 0.000 -0.000) 0.000 10.395 ( -0.000 0.000 0.000) 0.000 10.407 ( -0.000 0.000 0.000) 0.000 10.988 ( 0.000 0.000 0.000) 0.000 11.025 ( -0.000 0.000 -0.000) 0.000 11.127 ( -0.000 0.000 0.000) 0.000 11.133 ( -0.000 0.000 0.000) 0.000 11.348 ( -0.000 0.000 0.000) 0.000 11.527 ( -0.000 0.000 0.000) 0.000 12.249 ( -0.000 0.000 0.000) 0.000 12.280 ( -0.000 0.000 0.000) 0.000 12.383 ( -0.000 0.000 0.000) 0.000 12.484 ( -0.000 0.000 0.000) 0.000 12.962 ( 0.000 0.000 0.000) 0.000 12.998 ( -0.000 0.000 0.000) 0.000 13.188 ( -0.000 0.000 0.000) 0.000 13.193 ( 0.000 0.000 -0.000) 0.000 13.511 ( -0.000 0.000 0.000) 0.000 13.581 ( -0.000 0.000 0.000) 0.000 13.795 ( -0.000 0.000 -0.000) 0.000 13.827 ( -0.000 0.000 0.000) 0.000 14.100 ( -0.000 0.000 0.000) 0.000 14.119 ( -0.000 0.000 0.000) 0.000 14.538 ( -0.000 0.000 0.000) 0.000 14.569 ( -0.000 0.000 0.000) 0.000 14.630 ( -0.000 0.000 0.000) 0.000 14.688 ( -0.000 0.000 -0.000) 0.000 15.217 ( 0.000 0.000 0.000) 0.000 15.240 ( 0.000 0.000 0.000) 0.000 15.263 ( -0.000 0.000 -0.000) 0.000 15.306 ( -0.000 0.000 0.000) 0.000 15.747 ( -0.000 0.000 0.000) 0.000 15.756 ( -0.000 0.000 -0.000) 0.000 17.264 ( 0.000 0.000 0.000) 0.000 17.281 ( -0.000 0.000 0.000) 0.000 18.121 ( -0.000 0.000 0.000) 0.000 18.136 ( -0.000 0.000 0.000) 0.000 20.623 ( -0.000 0.000 0.000) 0.000 20.651 ( -0.000 0.000 0.000) 0.000 21.404 ( -0.000 0.000 0.000) 0.000 21.460 ( -0.000 0.000 0.000) 0.000 21.639 ( -0.000 0.000 0.000) 0.000 21.698 ( -0.000 0.000 0.000) 0.000 21.995 ( 0.000 0.000 0.000) 0.000 21.998 ( -0.000 0.000 -0.000) 0.000 22.309 ( -0.000 0.000 -0.000) 0.000 22.314 ( -0.000 0.000 0.000) 0.000 27.047 ( -0.000 0.000 -0.000) 0.000 27.063 ( -0.000 0.000 0.000) 0.000 27.231 ( -0.000 0.000 0.000) 0.000 27.306 ( -0.000 0.000 0.000) 0.000 27.348 ( -0.000 0.000 0.000) 0.000 27.388 ( -0.000 0.000 0.000) 0.000 27.444 ( -0.000 0.000 0.000) 0.000 27.496 ( -0.000 0.000 -0.000) 0.000 28.675 ( -0.000 0.000 0.000) 0.000 28.698 ( -0.000 0.000 0.000) 0.000 28.928 ( -0.000 0.000 0.000) 0.000 28.933 ( -0.000 0.000 -0.000) 0.000 29.445 ( -0.000 0.000 0.000) 0.000 29.456 ( -0.000 0.000 -0.000) 0.000 29.667 ( -0.000 0.000 -0.000) 0.000 29.677 ( -0.000 0.000 0.000) 0.000 29.684 ( -0.000 0.000 -0.000) 0.000 29.723 ( -0.000 0.000 0.000) 0.000 30.021 ( -0.000 0.000 0.000) 0.000 30.068 ( -0.000 0.000 0.000) 0.000 30.855 ( -0.000 0.000 -0.000) 0.000 30.882 ( 0.000 0.000 0.000) 0.000 30.959 ( -0.000 0.000 0.000) 0.000 30.989 ( -0.000 0.000 0.000) 0.000 31.238 ( -0.000 0.000 0.000) 0.000 31.242 ( -0.000 0.000 0.000) 0.000 31.864 ( 0.000 0.000 0.000) 0.000 31.940 ( -0.000 0.000 -0.000) 0.000 32.293 ( 0.000 0.000 0.000) 0.000 32.330 ( -0.000 0.000 -0.000) 0.000 33.401 ( -0.000 0.000 0.000) 0.000 33.439 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 105 (46/60) ======================= q-point: ( 0.00 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 0.000 8.008 0.000) 8.008 1.122 ( -0.000 6.737 -0.000) 6.737 1.191 ( 0.000 14.374 0.000) 14.374 1.217 ( -0.000 14.749 -0.000) 14.749 1.750 ( -0.000 7.505 -0.000) 7.505 1.780 ( -0.000 9.025 0.000) 9.025 1.858 ( -0.000 3.368 0.000) 3.368 1.941 ( 0.000 7.163 -0.000) 7.163 2.015 ( -0.000 5.378 0.000) 5.378 2.016 ( 0.000 2.524 -0.000) 2.524 2.045 ( -0.000 3.318 -0.000) 3.318 2.089 ( 0.000 2.562 0.000) 2.562 2.187 ( -0.000 7.952 -0.000) 7.952 2.219 ( 0.000 9.705 0.000) 9.705 2.348 ( 0.000 1.624 0.000) 1.624 2.414 ( -0.000 3.759 0.000) 3.759 2.499 ( -0.000 2.058 0.000) 2.058 2.523 ( 0.000 -1.617 0.000) 1.617 2.690 ( 0.000 1.810 0.000) 1.810 2.711 ( -0.000 2.552 -0.000) 2.552 2.767 ( 0.000 0.110 0.000) 0.110 2.824 ( 0.000 2.497 0.000) 2.497 2.998 ( 0.000 7.102 0.000) 7.102 3.016 ( 0.000 9.594 -0.000) 9.594 3.071 ( -0.000 6.123 0.000) 6.123 3.107 ( 0.000 7.610 0.000) 7.610 3.207 ( -0.000 5.075 0.000) 5.075 3.223 ( 0.000 2.237 0.000) 2.237 3.315 ( 0.000 8.278 -0.000) 8.278 3.332 ( -0.000 17.304 0.000) 17.304 3.462 ( 0.000 4.186 -0.000) 4.186 3.477 ( -0.000 6.275 0.000) 6.275 3.528 ( 0.000 7.152 0.000) 7.152 3.538 ( 0.000 16.147 0.000) 16.147 3.797 ( 0.000 2.277 0.000) 2.277 3.862 ( 0.000 -2.217 0.000) 2.217 4.048 ( -0.000 -2.023 -0.000) 2.023 4.083 ( 0.000 4.417 0.000) 4.417 4.499 ( -0.000 2.513 0.000) 2.513 4.535 ( 0.000 -1.182 -0.000) 1.182 4.692 ( -0.000 -3.554 0.000) 3.554 4.715 ( 0.000 -0.765 -0.000) 0.765 4.772 ( 0.000 -2.532 0.000) 2.532 4.891 ( -0.000 -8.216 0.000) 8.216 4.923 ( 0.000 1.819 0.000) 1.819 4.973 ( -0.000 -7.672 -0.000) 7.672 5.257 ( -0.000 0.775 0.000) 0.775 5.413 ( 0.000 0.077 0.000) 0.077 5.615 ( -0.000 -5.269 0.000) 5.269 5.719 ( -0.000 -5.808 0.000) 5.808 5.943 ( -0.000 2.914 -0.000) 2.914 5.957 ( 0.000 -1.663 0.000) 1.663 6.270 ( -0.000 -8.063 0.000) 8.063 6.288 ( 0.000 -4.431 -0.000) 4.431 6.466 ( 0.000 2.097 0.000) 2.097 6.467 ( -0.000 1.823 -0.000) 1.823 6.711 ( 0.000 1.147 -0.000) 1.147 6.746 ( -0.000 2.266 0.000) 2.266 7.278 ( 0.000 -1.063 -0.000) 1.063 7.291 ( -0.000 4.714 0.000) 4.714 7.396 ( -0.000 7.553 0.000) 7.553 7.484 ( 0.000 6.677 0.000) 6.677 7.958 ( 0.000 6.006 -0.000) 6.006 7.962 ( -0.000 1.911 0.000) 1.911 8.129 ( 0.000 3.012 0.000) 3.012 8.238 ( 0.000 5.352 0.000) 5.352 8.462 ( -0.000 10.293 0.000) 10.293 8.504 ( 0.000 7.993 0.000) 7.993 8.778 ( -0.000 -1.426 0.000) 1.426 8.827 ( 0.000 -1.750 0.000) 1.750 8.934 ( 0.000 -0.679 0.000) 0.679 9.030 ( 0.000 -4.210 0.000) 4.210 9.263 ( 0.000 -0.539 0.000) 0.539 9.392 ( 0.000 -0.748 0.000) 0.748 9.638 ( 0.000 4.067 -0.000) 4.067 9.650 ( -0.000 5.897 0.000) 5.897 10.105 ( 0.000 4.925 -0.000) 4.925 10.107 ( -0.000 3.592 0.000) 3.592 10.434 ( 0.000 1.159 -0.000) 1.159 10.436 ( -0.000 -1.339 0.000) 1.339 11.048 ( 0.000 3.103 0.000) 3.103 11.076 ( -0.000 2.200 0.000) 2.200 11.172 ( 0.000 6.943 0.000) 6.943 11.222 ( -0.000 4.673 0.000) 4.673 11.341 ( 0.000 2.844 0.000) 2.844 11.415 ( 0.000 3.456 0.000) 3.456 12.160 ( -0.000 -6.375 0.000) 6.375 12.203 ( 0.000 -5.582 0.000) 5.582 12.469 ( 0.000 2.691 0.000) 2.691 12.547 ( -0.000 2.194 0.000) 2.194 12.935 ( 0.000 -1.330 0.000) 1.330 12.992 ( -0.000 0.859 0.000) 0.859 13.168 ( 0.000 -0.331 0.000) 0.331 13.231 ( 0.000 6.100 0.000) 6.100 13.358 ( -0.000 -8.313 0.000) 8.313 13.456 ( -0.000 -5.031 0.000) 5.031 13.738 ( -0.000 -1.822 0.000) 1.822 13.760 ( 0.000 -0.140 -0.000) 0.140 14.077 ( 0.000 -3.143 0.000) 3.143 14.094 ( -0.000 -2.779 0.000) 2.779 14.380 ( -0.000 -8.897 0.000) 8.897 14.398 ( 0.000 -7.814 0.000) 7.814 14.632 ( 0.000 -3.343 0.000) 3.343 14.668 ( 0.000 -3.315 0.000) 3.315 15.081 ( -0.000 -12.544 0.000) 12.544 15.095 ( 0.000 -13.337 -0.000) 13.337 15.237 ( 0.000 -15.508 0.000) 15.508 15.256 ( 0.000 -14.756 0.000) 14.756 15.825 ( 0.000 17.197 0.000) 17.197 15.831 ( -0.000 16.173 -0.000) 16.173 17.145 ( -0.000 8.172 0.000) 8.172 17.156 ( 0.000 8.740 0.000) 8.740 18.376 ( -0.000 12.559 0.000) 12.559 18.380 ( 0.000 13.078 -0.000) 13.078 20.412 ( -0.000 -11.720 0.000) 11.720 20.425 ( 0.000 -13.322 0.000) 13.322 21.442 ( -0.000 -6.374 0.000) 6.374 21.474 ( -0.000 -4.961 0.000) 4.961 21.720 ( 0.000 -1.015 0.000) 1.015 21.737 ( -0.000 -0.007 0.000) 0.007 22.062 ( -0.000 9.405 0.000) 9.405 22.110 ( 0.000 9.240 0.000) 9.240 22.443 ( 0.000 8.140 -0.000) 8.140 22.462 ( 0.000 9.428 0.000) 9.428 27.063 ( -0.000 -0.986 0.000) 0.986 27.082 ( -0.000 0.155 0.000) 0.155 27.305 ( 0.000 3.651 0.000) 3.651 27.306 ( -0.000 1.817 -0.000) 1.817 27.517 ( 0.000 14.296 0.000) 14.296 27.539 ( -0.000 13.224 0.000) 13.224 27.746 ( -0.000 19.707 -0.000) 19.707 27.776 ( 0.000 19.652 0.000) 19.652 28.785 ( 0.000 6.651 0.000) 6.651 28.800 ( -0.000 7.759 0.000) 7.759 28.867 ( -0.000 9.975 0.000) 9.975 28.895 ( 0.000 11.803 -0.000) 11.803 29.399 ( -0.000 0.377 -0.000) 0.377 29.422 ( 0.000 0.350 0.000) 0.350 29.684 ( 0.000 -2.637 0.000) 2.637 29.693 ( 0.000 -3.216 0.000) 3.216 29.791 ( -0.000 -0.620 0.000) 0.620 29.837 ( 0.000 -1.101 0.000) 1.101 29.945 ( 0.000 1.589 0.000) 1.589 29.978 ( 0.000 1.361 0.000) 1.361 30.824 ( 0.000 -4.028 0.000) 4.028 30.828 ( -0.000 -4.993 0.000) 4.993 30.973 ( -0.000 -3.204 -0.000) 3.204 30.991 ( 0.000 -1.700 0.000) 1.700 31.088 ( 0.000 -4.523 -0.000) 4.523 31.116 ( -0.000 -5.799 0.000) 5.799 31.526 ( -0.000 -7.071 -0.000) 7.071 31.558 ( 0.000 -7.421 0.000) 7.421 32.126 ( -0.000 -5.436 -0.000) 5.436 32.127 ( 0.000 -5.085 0.000) 5.085 33.551 ( 0.000 -31.866 0.000) 31.866 33.566 ( -0.000 -31.803 -0.000) 31.803 ======================= Grid point 107 (47/60) ======================= q-point: ( 0.25 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( 10.084 4.408 -17.098) 20.334 1.273 ( 5.501 10.745 2.294) 12.287 1.286 ( 7.656 12.000 -0.170) 14.235 1.364 ( 8.911 10.959 16.732) 21.897 1.651 ( -9.020 7.838 2.729) 12.257 1.727 ( -7.289 4.129 -4.339) 9.434 1.783 ( -12.025 0.706 -4.340) 12.804 1.839 ( -12.010 2.781 -2.731) 12.627 1.940 ( 4.822 1.406 -2.521) 5.620 2.041 ( 3.499 2.706 -0.026) 4.423 2.099 ( 2.502 5.703 2.818) 6.836 2.183 ( 8.115 4.825 -2.318) 9.721 2.233 ( 2.951 8.238 -4.021) 9.630 2.314 ( 4.811 6.325 6.646) 10.360 2.374 ( 5.576 6.245 7.079) 10.964 2.436 ( 0.744 7.357 3.022) 7.988 2.500 ( 0.753 0.016 0.740) 1.056 2.573 ( 1.269 1.921 -4.740) 5.270 2.632 ( -0.033 2.799 2.799) 3.959 2.712 ( 1.947 0.763 2.322) 3.125 2.745 ( -5.805 3.643 -2.886) 7.436 2.858 ( 0.042 2.686 -4.127) 4.925 2.920 ( -2.790 2.891 -0.119) 4.019 2.960 ( -1.326 5.049 -1.852) 5.539 3.058 ( -1.717 5.628 3.147) 6.673 3.112 ( -1.633 7.315 2.111) 7.787 3.178 ( -2.039 11.360 -0.551) 11.555 3.226 ( -1.074 7.651 4.075) 8.734 3.296 ( -2.283 6.038 -3.141) 7.179 3.342 ( -3.916 9.841 -4.315) 11.436 3.372 ( -2.164 7.451 0.647) 7.786 3.500 ( 1.565 10.944 -3.957) 11.742 3.522 ( -2.882 8.608 -1.822) 9.259 3.587 ( 0.487 9.514 2.777) 9.923 3.729 ( 0.419 8.483 0.970) 8.549 3.850 ( 0.415 3.086 -2.424) 3.946 4.048 ( 3.659 2.083 -3.820) 5.685 4.218 ( 3.239 -0.082 2.096) 3.859 4.413 ( -3.498 -1.953 2.913) 4.954 4.511 ( -0.814 -0.473 -4.397) 4.497 4.615 ( 0.880 -2.514 -0.260) 2.676 4.686 ( -2.603 -4.545 -1.144) 5.361 4.734 ( -1.909 -2.421 3.713) 4.826 4.896 ( -3.921 -5.320 2.742) 7.155 5.034 ( 12.234 -1.117 2.401) 12.517 5.213 ( 11.301 2.649 0.655) 11.625 5.425 ( 8.515 -3.567 2.045) 9.455 5.501 ( 8.165 -3.937 -3.083) 9.574 5.574 ( -0.131 -8.988 -0.560) 9.006 5.675 ( -1.499 -7.917 -0.375) 8.066 5.843 ( -7.534 -2.331 -5.166) 9.428 6.005 ( -0.434 3.212 -1.505) 3.574 6.178 ( -2.922 -2.454 -0.137) 3.819 6.313 ( -1.446 -3.264 -0.315) 3.583 6.421 ( -3.946 1.790 2.743) 5.128 6.465 ( 0.036 2.783 -1.789) 3.309 6.750 ( 3.862 2.123 0.455) 4.431 6.775 ( 1.785 -0.661 -0.240) 1.918 7.123 ( -8.366 -0.311 1.401) 8.488 7.262 ( -7.667 5.785 -2.363) 9.892 7.348 ( -0.124 4.924 -2.131) 5.366 7.484 ( -2.322 6.910 4.023) 8.327 7.957 ( 1.301 5.352 1.674) 5.756 7.996 ( 1.122 5.453 -1.544) 5.777 8.162 ( 1.639 3.281 0.547) 3.708 8.277 ( 3.105 6.018 -0.982) 6.842 8.433 ( 0.396 5.333 0.385) 5.362 8.549 ( 3.301 7.816 0.755) 8.518 8.727 ( -3.607 1.309 2.049) 4.350 8.827 ( -2.472 2.920 0.871) 3.924 8.898 ( -0.972 -3.743 -1.335) 4.091 8.985 ( -4.342 -1.516 -1.199) 4.753 9.227 ( -1.582 -2.695 0.023) 3.126 9.360 ( -3.555 -0.683 1.018) 3.761 9.620 ( 1.671 5.266 2.235) 5.960 9.700 ( 1.114 5.933 -3.311) 6.885 10.116 ( 1.478 3.040 0.524) 3.421 10.131 ( 1.443 3.735 -1.461) 4.262 10.407 ( -1.261 -0.474 0.100) 1.351 10.433 ( -1.148 1.177 0.409) 1.694 10.973 ( -2.300 0.508 3.527) 4.241 11.120 ( -3.695 1.261 -1.280) 4.109 11.152 ( 2.608 6.791 -0.684) 7.307 11.261 ( -1.438 9.657 0.362) 9.770 11.308 ( 4.503 1.790 -3.496) 5.975 11.499 ( 2.786 1.061 3.168) 4.350 12.144 ( 0.080 -7.015 1.541) 7.183 12.231 ( -0.347 -5.250 -2.299) 5.742 12.410 ( 0.066 3.921 -0.188) 3.927 12.577 ( -0.337 3.472 1.377) 3.750 12.936 ( 1.421 0.778 -0.742) 1.782 13.024 ( 1.049 0.679 0.520) 1.353 13.112 ( -0.236 -0.509 -0.991) 1.139 13.263 ( -6.946 -7.133 3.746) 10.638 13.349 ( 5.448 -5.364 0.049) 7.645 13.480 ( 0.308 -5.149 -1.055) 5.265 13.780 ( 4.539 0.560 -0.271) 4.581 13.828 ( 3.708 -1.520 -0.002) 4.008 14.064 ( -0.411 -3.354 -0.582) 3.429 14.108 ( -0.485 -3.741 0.567) 3.814 14.387 ( 1.948 -8.447 0.139) 8.670 14.424 ( 1.053 -9.931 0.014) 9.987 14.614 ( -0.760 -4.464 0.177) 4.532 14.674 ( 0.028 -2.984 0.728) 3.071 15.098 ( 1.443 -11.928 0.932) 12.051 15.109 ( 1.424 -12.450 -1.139) 12.583 15.206 ( -2.718 -14.759 0.936) 15.036 15.241 ( -1.357 -12.118 -0.580) 12.208 15.805 ( 0.341 13.668 -3.642) 14.149 15.856 ( -0.419 15.292 5.713) 16.330 17.169 ( 7.053 6.701 0.379) 9.737 17.312 ( 7.127 8.167 -0.360) 10.845 18.272 ( -5.068 10.796 0.504) 11.937 18.363 ( -4.464 14.641 -0.455) 15.314 20.410 ( 3.322 -13.366 0.190) 13.774 20.518 ( 3.556 -10.421 -1.851) 11.165 21.356 ( -5.064 -8.658 0.952) 10.075 21.429 ( -4.553 -3.868 1.138) 6.082 21.719 ( 2.354 4.621 -0.985) 5.279 21.821 ( 3.788 1.440 -0.003) 4.053 21.978 ( -4.585 7.620 0.821) 8.931 22.093 ( -3.372 4.313 0.750) 5.526 22.430 ( -0.548 9.803 -0.240) 9.821 22.452 ( -1.097 10.083 0.645) 10.163 27.051 ( -0.850 0.236 0.542) 1.036 27.071 ( -0.970 0.915 -0.066) 1.335 27.284 ( -0.437 2.684 -0.603) 2.785 27.319 ( -0.441 2.362 1.191) 2.682 27.501 ( -0.555 13.484 -0.241) 13.497 27.552 ( -3.520 16.768 -0.482) 17.140 27.609 ( 0.720 17.093 1.433) 17.168 27.815 ( -3.552 19.161 0.396) 19.492 28.763 ( -0.765 7.270 0.751) 7.348 28.789 ( -1.262 8.968 1.102) 9.123 28.914 ( 5.350 4.508 1.439) 7.143 28.965 ( 2.977 9.154 -7.918) 12.464 29.413 ( 1.764 -0.459 -2.689) 3.248 29.442 ( 0.928 0.236 3.564) 3.691 29.622 ( -1.985 -1.797 6.798) 7.306 29.708 ( -3.055 -3.014 -3.436) 5.498 29.742 ( -2.276 -0.151 -2.172) 3.149 29.781 ( -3.067 0.365 -1.112) 3.283 29.984 ( 2.401 0.715 -0.690) 2.598 30.028 ( 3.171 0.456 1.681) 3.618 30.782 ( -0.001 -3.770 1.674) 4.125 30.883 ( 2.461 -3.054 2.004) 4.404 30.936 ( -3.995 -4.202 -1.910) 6.105 30.991 ( 0.058 -3.260 -1.126) 3.449 31.074 ( 2.749 -4.539 3.882) 6.575 31.271 ( -0.125 -4.814 0.260) 4.823 31.540 ( 13.898 -8.119 2.026) 16.223 31.797 ( 12.365 -12.196 4.159) 17.859 32.045 ( -2.140 -3.442 0.098) 4.054 32.231 ( 4.370 -9.271 -1.476) 10.355 33.298 ( -12.583 -22.791 -21.793) 33.952 33.491 ( -12.423 -26.365 12.359) 31.657 ======================= Grid point 108 (48/60) ======================= q-point: ( 0.50 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 0.000 1.892 -0.000) 1.892 1.324 ( -0.000 2.827 0.000) 2.827 1.421 ( 0.000 5.099 -0.000) 5.099 1.455 ( -0.000 4.068 0.000) 4.068 1.516 ( -0.000 7.839 -0.000) 7.839 1.558 ( -0.000 8.333 0.000) 8.333 1.609 ( 0.000 10.728 0.000) 10.728 1.628 ( -0.000 6.551 0.000) 6.551 2.000 ( -0.000 -1.330 0.000) 1.330 2.086 ( -0.000 2.975 0.000) 2.975 2.175 ( -0.000 4.342 -0.000) 4.342 2.189 ( -0.000 3.796 0.000) 3.796 2.325 ( -0.000 5.339 0.000) 5.339 2.384 ( -0.000 6.619 -0.000) 6.619 2.406 ( -0.000 6.321 0.000) 6.321 2.454 ( -0.000 2.258 0.000) 2.258 2.551 ( -0.000 -0.792 0.000) 0.792 2.591 ( -0.000 3.583 0.000) 3.583 2.638 ( -0.000 3.036 -0.000) 3.036 2.661 ( -0.000 4.828 0.000) 4.828 2.811 ( -0.000 -1.146 -0.000) 1.146 2.831 ( -0.000 3.833 0.000) 3.833 2.908 ( 0.000 9.151 -0.000) 9.151 2.968 ( -0.000 8.375 0.000) 8.375 2.989 ( 0.000 5.516 0.000) 5.516 3.020 ( -0.000 8.547 -0.000) 8.547 3.182 ( -0.000 5.784 0.000) 5.784 3.195 ( -0.000 8.323 0.000) 8.323 3.246 ( -0.000 7.980 0.000) 7.980 3.297 ( -0.000 7.731 -0.000) 7.731 3.337 ( -0.000 8.580 0.000) 8.580 3.469 ( -0.000 9.481 0.000) 9.481 3.543 ( -0.000 8.162 0.000) 8.162 3.571 ( -0.000 17.937 0.000) 17.937 3.768 ( -0.000 5.338 0.000) 5.338 3.859 ( -0.000 7.219 0.000) 7.219 4.152 ( -0.000 2.928 0.000) 2.928 4.158 ( 0.000 2.286 -0.000) 2.286 4.436 ( -0.000 -2.313 0.000) 2.313 4.480 ( -0.000 -5.903 0.000) 5.903 4.651 ( 0.000 -4.797 -0.000) 4.797 4.671 ( -0.000 -1.851 0.000) 1.851 4.740 ( -0.000 0.107 0.000) 0.107 4.824 ( -0.000 -4.815 0.000) 4.815 5.185 ( -0.000 -4.013 0.000) 4.013 5.353 ( -0.000 -6.107 0.000) 6.107 5.415 ( -0.000 3.187 0.000) 3.187 5.588 ( -0.000 -3.328 -0.000) 3.328 5.655 ( -0.000 -14.273 0.000) 14.273 5.671 ( -0.000 -6.115 -0.000) 6.115 5.848 ( 0.000 -0.869 0.000) 0.869 5.852 ( -0.000 0.151 0.000) 0.151 6.221 ( 0.000 0.758 -0.000) 0.758 6.241 ( -0.000 -1.844 0.000) 1.844 6.371 ( -0.000 4.057 0.000) 4.057 6.465 ( -0.000 3.769 0.000) 3.769 6.781 ( 0.000 0.302 0.000) 0.302 6.816 ( -0.000 -2.746 0.000) 2.746 7.071 ( -0.000 2.147 -0.000) 2.147 7.109 ( -0.000 6.248 0.000) 6.248 7.367 ( -0.000 5.711 0.000) 5.711 7.435 ( -0.000 4.401 0.000) 4.401 7.987 ( -0.000 3.607 0.000) 3.607 7.997 ( -0.000 7.878 0.000) 7.878 8.177 ( -0.000 4.555 0.000) 4.555 8.294 ( -0.000 8.771 0.000) 8.771 8.512 ( 0.000 0.876 0.000) 0.876 8.544 ( -0.000 3.062 0.000) 3.062 8.737 ( 0.000 4.915 0.000) 4.915 8.752 ( -0.000 7.196 0.000) 7.196 8.883 ( -0.000 -2.375 0.000) 2.375 8.923 ( -0.000 -1.048 0.000) 1.048 9.229 ( -0.000 -6.606 0.000) 6.606 9.299 ( -0.000 0.220 0.000) 0.220 9.662 ( -0.000 7.767 -0.000) 7.767 9.692 ( -0.000 4.718 0.000) 4.718 10.140 ( -0.000 2.308 -0.000) 2.308 10.144 ( -0.000 3.480 0.000) 3.480 10.403 ( 0.000 -0.122 -0.000) 0.122 10.407 ( -0.000 1.151 0.000) 1.151 10.984 ( -0.000 0.762 0.000) 0.762 11.026 ( -0.000 0.237 0.000) 0.237 11.214 ( -0.000 7.093 0.000) 7.093 11.234 ( -0.000 8.750 0.000) 8.750 11.360 ( -0.000 2.377 0.000) 2.377 11.522 ( -0.000 -0.080 0.000) 0.080 12.165 ( -0.000 -5.935 -0.000) 5.935 12.198 ( -0.000 -5.604 0.000) 5.604 12.442 ( -0.000 3.526 0.000) 3.526 12.558 ( -0.000 4.080 0.000) 4.080 12.969 ( -0.000 1.005 0.000) 1.005 13.024 ( -0.000 1.832 0.000) 1.832 13.140 ( -0.000 -5.416 0.000) 5.416 13.156 ( 0.000 -4.291 -0.000) 4.291 13.432 ( -0.000 -6.549 0.000) 6.549 13.454 ( 0.000 -7.833 -0.000) 7.833 13.850 ( -0.000 -0.955 0.000) 0.955 13.860 ( -0.000 0.709 0.000) 0.709 14.073 ( 0.000 -6.071 -0.000) 6.071 14.076 ( -0.000 -2.637 0.000) 2.637 14.424 ( -0.000 -10.843 0.000) 10.843 14.427 ( 0.000 -9.145 -0.000) 9.145 14.613 ( -0.000 -4.867 0.000) 4.867 14.671 ( -0.000 -3.460 0.000) 3.460 15.127 ( 0.000 -12.009 -0.000) 12.009 15.133 ( -0.000 -12.942 0.000) 12.942 15.157 ( -0.000 -11.373 0.000) 11.373 15.220 ( -0.000 -10.188 0.000) 10.188 15.826 ( -0.000 12.842 0.000) 12.842 15.833 ( -0.000 12.581 -0.000) 12.581 17.323 ( -0.000 6.234 0.000) 6.234 17.338 ( -0.000 6.111 0.000) 6.111 18.244 ( -0.000 12.455 0.000) 12.455 18.270 ( -0.000 13.278 0.000) 13.278 20.496 ( -0.000 -10.812 0.000) 10.812 20.512 ( 0.000 -11.867 0.000) 11.867 21.325 ( -0.000 -5.601 0.000) 5.601 21.350 ( -0.000 -7.082 0.000) 7.082 21.772 ( -0.000 8.236 0.000) 8.236 21.819 ( -0.000 9.320 0.000) 9.320 21.988 ( -0.000 -1.300 0.000) 1.300 22.006 ( 0.000 1.073 -0.000) 1.073 22.429 ( -0.000 10.378 -0.000) 10.378 22.435 ( -0.000 11.318 0.000) 11.318 27.042 ( -0.000 1.299 0.000) 1.299 27.058 ( -0.000 1.704 0.000) 1.704 27.283 ( -0.000 2.977 0.000) 2.977 27.306 ( 0.000 2.167 0.000) 2.167 27.498 ( -0.000 14.259 -0.000) 14.259 27.504 ( -0.000 15.137 0.000) 15.137 27.677 ( 0.000 17.850 0.000) 17.850 27.724 ( -0.000 17.566 -0.000) 17.566 28.756 ( -0.000 7.477 0.000) 7.477 28.782 ( -0.000 7.821 0.000) 7.821 28.978 ( -0.000 5.010 0.000) 5.010 28.984 ( -0.000 5.040 -0.000) 5.040 29.443 ( -0.000 -0.188 0.000) 0.188 29.448 ( 0.000 -0.825 -0.000) 0.825 29.638 ( -0.000 -2.706 -0.000) 2.706 29.642 ( -0.000 -2.848 0.000) 2.848 29.705 ( -0.000 1.536 0.000) 1.536 29.743 ( -0.000 1.790 0.000) 1.790 30.016 ( -0.000 -0.192 0.000) 0.192 30.064 ( -0.000 -0.217 0.000) 0.217 30.816 ( -0.000 -3.978 0.000) 3.978 30.851 ( 0.000 -3.087 0.000) 3.087 30.924 ( -0.000 -3.506 0.000) 3.506 30.966 ( -0.000 -2.330 0.000) 2.330 31.186 ( 0.000 -5.057 0.000) 5.057 31.192 ( -0.000 -4.899 0.000) 4.899 31.782 ( 0.000 -9.050 0.000) 9.050 31.848 ( -0.000 -10.521 -0.000) 10.521 32.161 ( 0.000 -10.581 0.000) 10.581 32.195 ( -0.000 -11.445 -0.000) 11.445 33.217 ( -0.000 -17.435 0.000) 17.435 33.252 ( -0.000 -17.673 -0.000) 17.673 ======================= Grid point 111 (49/60) ======================= q-point: ( 0.00 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 0.000 11.438 0.000) 11.438 1.282 ( 0.000 9.877 0.000) 9.877 1.455 ( 0.000 12.517 0.000) 12.517 1.488 ( -0.000 13.772 -0.000) 13.772 1.812 ( -0.000 -1.201 -0.000) 1.201 1.836 ( 0.000 -0.179 0.000) 0.179 1.997 ( 0.000 1.773 -0.000) 1.773 2.006 ( -0.000 7.111 0.000) 7.111 2.035 ( 0.000 1.574 0.000) 1.574 2.066 ( -0.000 4.227 0.000) 4.227 2.210 ( -0.000 7.785 0.000) 7.785 2.241 ( -0.000 9.260 0.000) 9.260 2.332 ( 0.000 4.519 0.000) 4.519 2.343 ( 0.000 0.336 -0.000) 0.336 2.440 ( -0.000 3.929 0.000) 3.929 2.535 ( 0.000 2.666 0.000) 2.666 2.567 ( -0.000 7.415 0.000) 7.415 2.635 ( 0.000 12.715 -0.000) 12.715 2.718 ( -0.000 3.415 0.000) 3.415 2.753 ( 0.000 7.845 -0.000) 7.845 2.804 ( -0.000 4.186 0.000) 4.186 2.880 ( -0.000 3.260 0.000) 3.260 3.043 ( -0.000 -4.868 0.000) 4.868 3.056 ( 0.000 -0.148 0.000) 0.148 3.138 ( 0.000 -0.757 0.000) 0.757 3.193 ( 0.000 0.374 0.000) 0.374 3.248 ( -0.000 0.567 0.000) 0.567 3.329 ( 0.000 4.348 -0.000) 4.348 3.444 ( -0.000 1.721 0.000) 1.721 3.497 ( 0.000 4.690 0.000) 4.690 3.628 ( 0.000 10.275 -0.000) 10.275 3.705 ( 0.000 6.651 0.000) 6.651 3.822 ( -0.000 8.346 0.000) 8.346 3.857 ( 0.000 22.966 0.000) 22.966 3.959 ( -0.000 11.227 0.000) 11.227 3.963 ( 0.000 15.204 -0.000) 15.204 4.181 ( 0.000 5.515 0.000) 5.515 4.241 ( -0.000 24.000 0.000) 24.000 4.513 ( -0.000 -0.264 0.000) 0.264 4.536 ( 0.000 -1.941 -0.000) 1.941 4.608 ( -0.000 0.837 0.000) 0.837 4.633 ( 0.000 -6.667 0.000) 6.667 4.747 ( 0.000 2.825 0.000) 2.825 4.770 ( -0.000 -1.248 -0.000) 1.248 4.930 ( -0.000 2.186 0.000) 2.186 4.989 ( 0.000 2.696 0.000) 2.696 5.264 ( 0.000 0.144 0.000) 0.144 5.400 ( 0.000 -0.068 0.000) 0.068 5.604 ( 0.000 0.886 0.000) 0.886 5.654 ( 0.000 -0.344 0.000) 0.344 5.898 ( -0.000 -4.007 -0.000) 4.007 5.981 ( 0.000 1.549 0.000) 1.549 6.207 ( -0.000 4.357 0.000) 4.357 6.295 ( 0.000 6.512 0.000) 6.512 6.525 ( 0.000 4.669 0.000) 4.669 6.529 ( -0.000 4.687 -0.000) 4.687 6.770 ( -0.000 5.273 -0.000) 5.273 6.806 ( 0.000 4.391 0.000) 4.391 7.298 ( -0.000 3.659 0.000) 3.659 7.407 ( 0.000 7.121 0.000) 7.121 7.590 ( 0.000 11.239 0.000) 11.239 7.660 ( -0.000 10.607 0.000) 10.607 7.994 ( 0.000 2.066 -0.000) 2.066 8.048 ( -0.000 4.100 0.000) 4.100 8.199 ( 0.000 2.894 0.000) 2.894 8.330 ( 0.000 2.767 0.000) 2.767 8.527 ( -0.000 -4.328 0.000) 4.328 8.624 ( -0.000 1.827 0.000) 1.827 8.788 ( -0.000 2.731 -0.000) 2.731 8.800 ( 0.000 2.088 0.000) 2.088 8.867 ( 0.000 -6.729 0.000) 6.729 8.980 ( -0.000 3.064 0.000) 3.064 9.386 ( -0.000 9.340 0.000) 9.340 9.440 ( 0.000 6.188 0.000) 6.188 9.789 ( 0.000 8.041 0.000) 8.041 9.790 ( -0.000 10.705 -0.000) 10.705 10.180 ( 0.000 2.502 -0.000) 2.502 10.181 ( -0.000 5.220 0.000) 5.220 10.438 ( 0.000 2.142 -0.000) 2.142 10.465 ( -0.000 1.793 0.000) 1.793 11.063 ( 0.000 -2.044 -0.000) 2.044 11.086 ( -0.000 0.386 0.000) 0.386 11.300 ( -0.000 2.947 0.000) 2.947 11.305 ( 0.000 2.868 0.000) 2.868 11.492 ( 0.000 13.780 0.000) 13.780 11.554 ( 0.000 11.693 0.000) 11.693 12.037 ( -0.000 -5.579 0.000) 5.579 12.115 ( 0.000 -3.830 0.000) 3.830 12.519 ( 0.000 1.454 0.000) 1.454 12.550 ( -0.000 -1.717 0.000) 1.717 12.893 ( 0.000 -3.021 0.000) 3.021 12.947 ( 0.000 -5.838 0.000) 5.838 13.142 ( 0.000 -9.379 0.000) 9.379 13.152 ( -0.000 -2.631 -0.000) 2.631 13.275 ( -0.000 -10.724 0.000) 10.724 13.335 ( 0.000 -0.864 -0.000) 0.864 13.639 ( 0.000 -9.360 0.000) 9.360 13.641 ( -0.000 -12.177 0.000) 12.177 13.939 ( 0.000 -9.793 0.000) 9.793 13.973 ( 0.000 -10.534 0.000) 10.534 14.170 ( 0.000 -12.163 0.000) 12.163 14.206 ( -0.000 -10.045 0.000) 10.045 14.509 ( 0.000 -10.225 0.000) 10.225 14.546 ( -0.000 -9.997 0.000) 9.997 14.723 ( 0.000 -21.975 0.000) 21.975 14.723 ( -0.000 -22.682 -0.000) 22.682 14.861 ( 0.000 -21.436 -0.000) 21.436 14.875 ( -0.000 -22.013 0.000) 22.013 16.281 ( 0.000 27.377 0.000) 27.377 16.293 ( -0.000 27.967 -0.000) 27.967 17.377 ( 0.000 14.711 0.000) 14.711 17.389 ( 0.000 14.331 0.000) 14.331 18.723 ( 0.000 22.594 0.000) 22.594 18.734 ( -0.000 22.789 -0.000) 22.789 20.179 ( 0.000 -10.055 -0.000) 10.055 20.187 ( -0.000 -9.602 0.000) 9.602 21.303 ( -0.000 -7.064 0.000) 7.064 21.341 ( 0.000 -7.460 0.000) 7.460 21.706 ( 0.000 -2.491 0.000) 2.491 21.726 ( -0.000 -2.898 0.000) 2.898 22.226 ( 0.000 7.265 0.000) 7.265 22.263 ( -0.000 6.484 0.000) 6.484 22.639 ( -0.000 10.354 -0.000) 10.354 22.670 ( 0.000 10.383 0.000) 10.383 27.119 ( 0.000 6.101 0.000) 6.101 27.156 ( -0.000 6.747 0.000) 6.747 27.395 ( 0.000 6.708 0.000) 6.708 27.417 ( -0.000 7.460 -0.000) 7.460 27.828 ( -0.000 16.745 0.000) 16.745 27.838 ( 0.000 16.384 -0.000) 16.384 28.088 ( -0.000 14.768 -0.000) 14.768 28.112 ( 0.000 14.268 0.000) 14.268 28.911 ( 0.000 7.008 0.000) 7.008 28.933 ( 0.000 7.267 0.000) 7.267 29.129 ( -0.000 13.438 0.000) 13.438 29.168 ( 0.000 12.903 -0.000) 12.903 29.401 ( 0.000 -0.625 0.000) 0.625 29.425 ( 0.000 -0.334 0.000) 0.334 29.601 ( -0.000 -5.889 0.000) 5.889 29.604 ( 0.000 -5.309 -0.000) 5.309 29.795 ( -0.000 1.593 0.000) 1.593 29.830 ( 0.000 1.095 0.000) 1.095 30.003 ( 0.000 4.447 0.000) 4.447 30.037 ( 0.000 4.898 -0.000) 4.898 30.709 ( 0.000 -6.773 0.000) 6.773 30.723 ( -0.000 -6.085 0.000) 6.085 30.874 ( -0.000 -6.968 -0.000) 6.968 30.925 ( 0.000 -5.634 0.000) 5.634 30.972 ( 0.000 -7.896 -0.000) 7.896 30.977 ( -0.000 -6.388 0.000) 6.388 31.341 ( -0.000 -11.259 -0.000) 11.259 31.363 ( 0.000 -11.965 0.000) 11.965 31.995 ( 0.000 -7.393 0.000) 7.393 32.003 ( -0.000 -7.002 0.000) 7.002 32.916 ( 0.000 -30.465 -0.000) 30.465 32.932 ( 0.000 -30.358 0.000) 30.358 ======================= Grid point 113 (50/60) ======================= q-point: ( 0.25 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 5.739 11.567 -13.249) 18.500 1.450 ( 5.021 6.711 -9.334) 12.545 1.519 ( 2.456 10.951 9.565) 14.746 1.533 ( 0.316 7.140 8.337) 10.982 1.694 ( -4.979 2.913 -3.510) 6.752 1.818 ( -5.632 3.742 3.402) 7.569 1.868 ( -9.225 4.002 6.239) 11.834 1.910 ( -6.419 5.971 -6.222) 10.750 2.042 ( 1.563 6.507 -2.590) 7.175 2.100 ( 1.534 2.903 -1.164) 3.483 2.203 ( 1.259 5.091 5.770) 7.797 2.285 ( 2.508 6.967 4.079) 8.454 2.350 ( 1.464 2.655 -0.842) 3.147 2.391 ( 3.619 -0.017 1.899) 4.087 2.466 ( 2.824 3.327 -0.128) 4.366 2.551 ( 0.589 3.875 -0.242) 3.927 2.574 ( 0.411 3.454 4.292) 5.525 2.633 ( -6.126 3.239 0.079) 6.930 2.677 ( 2.457 4.778 0.314) 5.382 2.744 ( -0.769 1.014 -2.387) 2.705 2.847 ( -3.494 6.033 0.594) 6.997 2.918 ( 1.025 1.265 -4.053) 4.368 2.962 ( 5.006 8.778 -6.377) 11.949 3.052 ( 2.755 5.674 0.595) 6.336 3.155 ( -1.949 2.045 -0.333) 2.844 3.235 ( -0.248 4.434 1.828) 4.802 3.282 ( 1.379 1.126 3.080) 3.557 3.360 ( 5.339 1.535 -1.206) 5.685 3.437 ( -0.829 4.246 0.505) 4.356 3.489 ( -1.622 6.700 -0.137) 6.895 3.606 ( -3.468 13.231 1.853) 13.803 3.688 ( -1.030 6.445 -2.731) 7.075 3.775 ( -0.319 15.240 -0.812) 15.265 3.852 ( -1.348 7.585 -2.208) 8.014 3.930 ( 1.431 13.035 -0.977) 13.149 4.089 ( 5.255 18.094 -1.027) 18.869 4.167 ( -0.008 6.848 -2.842) 7.414 4.291 ( 2.898 12.213 2.932) 12.890 4.450 ( -2.838 4.544 4.513) 7.005 4.521 ( -1.742 3.640 -3.875) 5.594 4.565 ( -1.349 2.869 -0.446) 3.201 4.636 ( -3.046 0.844 0.169) 3.166 4.714 ( 2.663 -1.984 0.707) 3.395 4.791 ( -1.366 -1.674 0.041) 2.161 4.976 ( 9.258 -3.418 3.854) 10.595 5.253 ( 11.567 1.045 -2.059) 11.795 5.337 ( 4.210 -5.535 -1.818) 7.188 5.383 ( -2.660 -2.072 0.570) 3.419 5.546 ( -0.217 0.161 -0.082) 0.282 5.618 ( -0.244 2.401 3.709) 4.425 5.832 ( -4.808 1.057 -3.591) 6.094 6.037 ( -0.492 0.470 -0.290) 0.740 6.160 ( -0.518 2.595 -1.706) 3.149 6.307 ( -1.910 4.992 2.769) 6.020 6.474 ( -2.017 4.434 0.550) 4.902 6.565 ( 1.356 5.695 -1.612) 6.072 6.708 ( -0.431 -1.066 -1.386) 1.801 6.869 ( -0.396 7.320 0.674) 7.362 7.154 ( -5.721 3.651 -1.647) 6.984 7.387 ( -6.780 6.908 1.648) 9.819 7.494 ( -2.481 10.230 -1.107) 10.585 7.644 ( -4.797 9.310 4.226) 11.294 8.052 ( 4.023 5.275 0.428) 6.647 8.115 ( 2.529 4.260 -1.463) 5.166 8.251 ( 5.243 5.558 -0.322) 7.647 8.372 ( 5.833 3.191 -0.759) 6.692 8.506 ( -1.058 0.073 0.004) 1.061 8.612 ( -1.022 -0.447 1.069) 1.545 8.745 ( -1.602 -4.853 -0.787) 5.171 8.821 ( -2.537 0.132 1.427) 2.914 8.895 ( 1.729 2.777 0.440) 3.301 8.961 ( 0.064 4.811 -1.389) 5.007 9.308 ( -4.301 8.471 -2.167) 9.745 9.417 ( -4.286 7.065 3.130) 8.836 9.759 ( 3.085 8.611 2.304) 9.433 9.883 ( 2.128 11.850 -3.201) 12.458 10.152 ( -0.826 1.174 1.547) 2.111 10.192 ( 0.265 2.571 -2.176) 3.379 10.407 ( -1.382 0.860 -0.226) 1.644 10.472 ( -0.948 2.598 -0.026) 2.766 10.977 ( -1.678 -0.178 2.986) 3.430 11.141 ( -3.737 0.748 -0.835) 3.902 11.244 ( 2.254 1.819 -2.589) 3.884 11.381 ( 2.571 5.081 1.806) 5.974 11.511 ( 0.692 12.323 0.402) 12.349 11.574 ( 1.701 10.654 0.654) 10.809 12.024 ( 0.647 -4.973 0.117) 5.016 12.140 ( -0.081 -3.992 -0.913) 4.096 12.461 ( -0.455 1.040 -0.302) 1.175 12.592 ( 0.200 -2.039 -0.870) 2.226 12.919 ( 2.048 -4.392 -2.343) 5.383 12.975 ( 2.497 -4.822 0.946) 5.512 13.057 ( -6.453 -11.604 4.019) 13.873 13.123 ( -3.737 0.251 0.413) 3.768 13.252 ( 2.931 -5.846 1.692) 6.755 13.367 ( -0.657 -5.908 -3.141) 6.723 13.667 ( 2.086 -13.060 0.935) 13.259 13.677 ( 2.191 -13.444 -1.503) 13.704 13.941 ( 0.472 -7.851 0.101) 7.866 13.978 ( -0.064 -9.958 0.279) 9.962 14.189 ( 1.463 -11.701 -0.089) 11.793 14.217 ( 0.879 -10.918 -0.851) 10.986 14.452 ( -3.151 -12.342 1.333) 12.807 14.546 ( -1.092 -10.765 0.608) 10.837 14.741 ( 2.028 -22.756 -1.454) 22.892 14.767 ( 2.687 -20.916 0.764) 21.102 14.828 ( -1.477 -21.310 0.424) 21.366 14.903 ( 1.086 -20.093 -1.370) 20.169 16.253 ( -0.540 28.477 -8.496) 29.722 16.291 ( -1.848 26.964 8.592) 28.360 17.378 ( 4.677 13.947 0.682) 14.726 17.515 ( 5.100 11.870 -0.187) 12.921 18.595 ( -4.940 21.964 0.352) 22.515 18.741 ( -4.617 23.650 -0.104) 24.097 20.157 ( 4.305 -10.582 0.116) 11.425 20.324 ( 4.604 -7.943 -0.994) 9.235 21.207 ( -3.890 -6.433 0.095) 7.518 21.333 ( -4.024 -5.654 1.726) 7.151 21.730 ( 4.799 -4.191 -1.337) 6.510 21.821 ( 5.970 -1.794 0.748) 6.279 22.142 ( -7.599 5.010 1.352) 9.202 22.183 ( -6.539 8.119 -0.823) 10.457 22.640 ( 0.446 10.146 -1.259) 10.234 22.672 ( -0.202 11.001 1.219) 11.070 27.119 ( 0.043 6.358 0.336) 6.367 27.153 ( -0.282 6.932 0.178) 6.941 27.383 ( -0.439 7.063 -2.192) 7.408 27.415 ( -0.613 7.085 2.164) 7.434 27.808 ( -0.093 16.869 -0.018) 16.869 27.879 ( 0.099 16.097 0.139) 16.098 27.979 ( -1.859 18.569 0.051) 18.662 28.150 ( -2.021 14.299 0.235) 14.443 28.914 ( 0.611 8.206 1.375) 8.342 28.961 ( 0.952 7.250 -1.639) 7.494 29.068 ( -1.200 11.009 5.477) 12.355 29.177 ( -2.007 10.477 -7.665) 13.136 29.400 ( 1.344 -0.690 -3.472) 3.786 29.438 ( 0.285 -0.988 2.393) 2.605 29.566 ( -1.609 -3.868 5.799) 7.154 29.611 ( -1.151 -6.147 -5.388) 8.255 29.770 ( -1.300 2.995 0.835) 3.370 29.809 ( -1.505 2.764 0.544) 3.194 30.018 ( 1.066 3.009 -0.808) 3.293 30.060 ( 1.298 3.307 0.761) 3.633 30.681 ( 0.473 -6.403 1.675) 6.635 30.778 ( 1.768 -7.585 0.637) 7.814 30.834 ( -2.323 -5.939 -0.158) 6.379 30.908 ( -0.109 -5.083 -1.325) 5.254 30.959 ( 2.571 -6.919 2.006) 7.649 31.146 ( 0.660 -7.689 0.296) 7.723 31.321 ( 9.182 -13.631 0.607) 16.446 31.501 ( 6.222 -16.830 2.730) 18.150 31.956 ( -1.095 -5.422 0.362) 5.543 32.036 ( 0.346 -9.677 -2.624) 10.033 32.816 ( -3.143 -24.542 -18.961) 31.172 32.928 ( -4.640 -28.617 15.401) 32.827 ======================= Grid point 114 (51/60) ======================= q-point: ( 0.50 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( -0.000 5.050 -0.000) 5.050 1.411 ( -0.000 5.857 0.000) 5.857 1.505 ( 0.000 5.892 -0.000) 5.892 1.516 ( -0.000 5.214 0.000) 5.214 1.682 ( -0.000 7.377 0.000) 7.377 1.722 ( 0.000 7.325 0.000) 7.325 1.783 ( 0.000 6.011 -0.000) 6.011 1.789 ( -0.000 8.539 0.000) 8.539 2.061 ( -0.000 7.777 0.000) 7.777 2.127 ( -0.000 1.007 0.000) 1.007 2.243 ( -0.000 2.186 0.000) 2.186 2.295 ( -0.000 6.495 0.000) 6.495 2.381 ( -0.000 1.236 0.000) 1.236 2.458 ( -0.000 -0.521 0.000) 0.521 2.505 ( -0.000 3.899 -0.000) 3.899 2.517 ( 0.000 4.878 0.000) 4.878 2.558 ( -0.000 1.515 0.000) 1.515 2.644 ( 0.000 0.069 0.000) 0.069 2.662 ( -0.000 0.116 -0.000) 0.116 2.719 ( -0.000 3.287 -0.000) 3.287 2.800 ( -0.000 2.600 0.000) 2.600 2.905 ( -0.000 2.000 0.000) 2.000 3.062 ( 0.000 7.521 -0.000) 7.521 3.089 ( -0.000 5.629 0.000) 5.629 3.184 ( 0.000 6.026 -0.000) 6.026 3.190 ( -0.000 7.628 0.000) 7.628 3.325 ( 0.000 8.722 0.000) 8.722 3.378 ( -0.000 6.178 -0.000) 6.178 3.430 ( -0.000 10.247 0.000) 10.247 3.469 ( -0.000 6.232 0.000) 6.232 3.548 ( -0.000 15.608 0.000) 15.608 3.670 ( -0.000 4.461 -0.000) 4.461 3.790 ( -0.000 17.028 0.000) 17.028 3.816 ( -0.000 3.879 -0.000) 3.879 3.970 ( -0.000 12.370 0.000) 12.370 4.127 ( -0.000 11.955 0.000) 11.955 4.194 ( -0.000 4.384 0.000) 4.384 4.330 ( -0.000 7.019 0.000) 7.019 4.418 ( -0.000 3.062 0.000) 3.062 4.464 ( -0.000 13.975 -0.000) 13.975 4.571 ( -0.000 1.437 0.000) 1.437 4.623 ( -0.000 -0.264 -0.000) 0.264 4.755 ( -0.000 1.337 0.000) 1.337 4.776 ( -0.000 0.790 0.000) 0.790 5.125 ( 0.000 -1.468 0.000) 1.468 5.212 ( -0.000 -6.374 0.000) 6.374 5.400 ( 0.000 -6.145 0.000) 6.145 5.406 ( -0.000 -9.773 -0.000) 9.773 5.568 ( -0.000 0.759 0.000) 0.759 5.653 ( -0.000 6.445 0.000) 6.445 5.871 ( 0.000 1.728 0.000) 1.728 5.895 ( -0.000 3.749 0.000) 3.749 6.198 ( -0.000 0.405 0.000) 0.405 6.251 ( -0.000 3.468 0.000) 3.468 6.457 ( -0.000 5.512 0.000) 5.512 6.580 ( -0.000 6.878 0.000) 6.878 6.757 ( -0.000 -1.880 0.000) 1.880 6.785 ( -0.000 -0.097 0.000) 0.097 7.166 ( 0.000 7.454 0.000) 7.454 7.236 ( -0.000 7.806 0.000) 7.806 7.520 ( -0.000 9.899 0.000) 9.899 7.545 ( 0.000 8.084 -0.000) 8.084 8.094 ( -0.000 6.272 0.000) 6.272 8.125 ( -0.000 3.740 -0.000) 3.740 8.316 ( -0.000 8.436 0.000) 8.436 8.448 ( -0.000 5.213 0.000) 5.213 8.577 ( -0.000 4.455 0.000) 4.455 8.584 ( 0.000 -0.208 0.000) 0.208 8.692 ( -0.000 -6.660 0.000) 6.660 8.766 ( -0.000 -1.683 0.000) 1.683 8.911 ( -0.000 1.382 0.000) 1.382 8.977 ( -0.000 6.987 0.000) 6.987 9.261 ( -0.000 10.367 0.000) 10.367 9.353 ( -0.000 5.677 -0.000) 5.677 9.849 ( 0.000 10.657 -0.000) 10.657 9.852 ( -0.000 11.087 0.000) 11.087 10.157 ( -0.000 0.083 -0.000) 0.083 10.189 ( -0.000 0.839 0.000) 0.839 10.412 ( -0.000 1.104 0.000) 1.104 10.431 ( -0.000 1.224 0.000) 1.224 11.018 ( -0.000 2.145 0.000) 2.145 11.033 ( 0.000 0.715 0.000) 0.715 11.291 ( -0.000 1.352 0.000) 1.352 11.389 ( -0.000 4.311 0.000) 4.311 11.527 ( -0.000 13.435 0.000) 13.435 11.593 ( -0.000 10.009 0.000) 10.009 12.057 ( -0.000 -4.933 0.000) 4.933 12.110 ( -0.000 -3.267 0.000) 3.267 12.487 ( -0.000 0.879 0.000) 0.879 12.570 ( -0.000 -3.267 0.000) 3.267 12.945 ( -0.000 -6.706 0.000) 6.706 12.975 ( 0.000 -12.694 -0.000) 12.694 13.043 ( 0.000 -1.177 0.000) 1.177 13.053 ( -0.000 -0.459 -0.000) 0.459 13.309 ( 0.000 -5.825 0.000) 5.825 13.336 ( -0.000 -5.243 0.000) 5.243 13.693 ( -0.000 -17.464 0.000) 17.464 13.696 ( -0.000 -13.854 0.000) 13.854 13.957 ( -0.000 -6.140 0.000) 6.140 13.966 ( -0.000 -8.503 0.000) 8.503 14.213 ( -0.000 -10.901 0.000) 10.901 14.219 ( -0.000 -12.030 0.000) 12.030 14.422 ( -0.000 -14.620 0.000) 14.620 14.528 ( -0.000 -11.213 0.000) 11.213 14.779 ( 0.639 -24.427 -0.623) 24.443 14.779 ( -0.639 -21.791 0.623) 21.810 14.822 ( -0.000 -17.686 -0.000) 17.686 14.911 ( -0.000 -18.866 0.000) 18.866 16.256 ( -0.000 27.932 0.000) 27.932 16.258 ( 0.000 27.610 -0.000) 27.610 17.501 ( -0.000 11.439 0.000) 11.439 17.514 ( 0.000 11.250 -0.000) 11.250 18.591 ( -0.000 22.847 -0.000) 22.847 18.625 ( -0.000 22.650 0.000) 22.650 20.291 ( -0.000 -9.004 -0.000) 9.004 20.296 ( 0.000 -8.068 0.000) 8.068 21.225 ( -0.000 -4.679 0.000) 4.679 21.225 ( 0.000 -5.723 -0.000) 5.723 21.837 ( -0.000 -3.087 0.000) 3.087 21.883 ( -0.000 -5.877 -0.000) 5.877 22.040 ( -0.000 8.869 0.000) 8.869 22.073 ( -0.000 6.446 0.000) 6.446 22.648 ( -0.000 10.667 -0.000) 10.667 22.667 ( -0.000 10.961 0.000) 10.961 27.121 ( -0.000 6.551 0.000) 6.551 27.149 ( -0.000 7.202 0.000) 7.202 27.379 ( -0.000 6.810 0.000) 6.810 27.406 ( -0.000 7.414 0.000) 7.414 27.828 ( 0.000 17.590 -0.000) 17.590 27.832 ( -0.000 16.991 0.000) 16.991 28.036 ( 0.000 17.521 0.000) 17.521 28.073 ( -0.000 16.835 -0.000) 16.835 28.925 ( -0.000 9.136 0.000) 9.136 28.960 ( -0.000 9.420 0.000) 9.420 29.107 ( -3.025 7.315 -3.564) 8.681 29.107 ( 3.025 7.393 3.564) 8.748 29.426 ( -0.000 -1.340 0.000) 1.340 29.435 ( -0.000 -0.754 -0.000) 0.754 29.567 ( 0.000 -4.422 -0.000) 4.422 29.570 ( -0.000 -4.285 0.000) 4.285 29.756 ( -0.000 4.044 0.000) 4.044 29.794 ( -0.000 3.633 0.000) 3.633 30.029 ( -0.000 1.957 0.000) 1.957 30.076 ( -0.000 1.913 -0.000) 1.913 30.707 ( -0.000 -7.010 0.000) 7.010 30.759 ( -0.000 -6.628 0.000) 6.628 30.831 ( -0.000 -5.708 -0.000) 5.708 30.899 ( -0.000 -4.488 0.000) 4.488 31.059 ( 0.000 -7.482 0.000) 7.482 31.064 ( -0.000 -7.876 0.000) 7.876 31.512 ( 0.000 -17.360 0.000) 17.360 31.533 ( -0.000 -19.604 -0.000) 19.604 31.986 ( -0.000 -7.296 -0.000) 7.296 31.989 ( 0.000 -8.774 0.000) 8.774 32.807 ( -0.000 -22.678 -0.000) 22.678 32.838 ( -0.000 -22.951 0.000) 22.951 ======================= Grid point 117 (52/60) ======================= q-point: ( 0.00 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( -0.000 12.473 -0.000) 12.473 1.489 ( 0.000 10.530 0.000) 10.530 1.698 ( -0.000 12.595 -0.000) 12.595 1.765 ( -0.000 13.772 -0.000) 13.772 1.817 ( 0.000 2.274 -0.000) 2.274 1.827 ( -0.000 1.893 0.000) 1.893 2.034 ( 0.000 1.447 -0.000) 1.447 2.050 ( -0.000 0.987 0.000) 0.987 2.144 ( -0.000 6.590 -0.000) 6.590 2.171 ( 0.000 5.621 0.000) 5.621 2.294 ( -0.000 0.741 0.000) 0.741 2.322 ( 0.000 -0.890 -0.000) 0.890 2.393 ( 0.000 5.908 -0.000) 5.908 2.396 ( -0.000 3.036 0.000) 3.036 2.518 ( 0.000 4.084 0.000) 4.084 2.591 ( 0.000 1.104 0.000) 1.104 2.622 ( 0.000 3.635 0.000) 3.635 2.670 ( -0.000 1.003 -0.000) 1.003 2.845 ( 0.000 -1.422 0.000) 1.422 2.857 ( -0.000 0.941 -0.000) 0.941 2.954 ( -0.000 1.347 -0.000) 1.347 3.009 ( 0.000 0.134 -0.000) 0.134 3.035 ( -0.000 8.233 0.000) 8.233 3.076 ( 0.000 7.959 -0.000) 7.959 3.138 ( 0.000 3.131 -0.000) 3.131 3.167 ( -0.000 3.113 0.000) 3.113 3.254 ( 0.000 2.050 0.000) 2.050 3.347 ( -0.000 -1.153 0.000) 1.153 3.498 ( 0.000 2.262 -0.000) 2.262 3.528 ( 0.000 -0.456 0.000) 0.456 3.720 ( 0.000 1.764 0.000) 1.764 3.747 ( -0.000 0.435 0.000) 0.435 3.917 ( -0.000 2.163 0.000) 2.163 4.061 ( 0.000 -4.059 -0.000) 4.059 4.190 ( -0.000 9.052 -0.000) 9.052 4.225 ( 0.000 9.676 0.000) 9.676 4.399 ( 0.000 10.561 0.000) 10.561 4.460 ( 0.000 -5.055 0.000) 5.055 4.523 ( 0.000 4.418 0.000) 4.418 4.533 ( -0.000 6.678 -0.000) 6.678 4.699 ( 0.000 10.604 0.000) 10.604 4.723 ( -0.000 7.548 -0.000) 7.548 4.817 ( -0.000 3.823 0.000) 3.823 4.866 ( -0.000 6.270 -0.000) 6.270 5.023 ( 0.000 2.426 -0.000) 2.426 5.024 ( -0.000 7.980 0.000) 7.980 5.275 ( 0.000 0.930 0.000) 0.930 5.401 ( 0.000 -0.438 0.000) 0.438 5.631 ( 0.000 3.038 0.000) 3.038 5.712 ( -0.000 6.362 0.000) 6.362 5.828 ( -0.000 -2.730 0.000) 2.730 5.994 ( 0.000 0.128 0.000) 0.128 6.412 ( 0.000 9.787 -0.000) 9.787 6.492 ( -0.000 8.805 0.000) 8.805 6.654 ( 0.000 10.020 0.000) 10.020 6.669 ( -0.000 12.799 0.000) 12.799 6.973 ( -0.000 16.318 -0.000) 16.318 6.997 ( 0.000 17.813 0.000) 17.813 7.411 ( -0.000 7.491 0.000) 7.491 7.548 ( -0.000 7.033 0.000) 7.033 7.795 ( 0.000 9.024 -0.000) 9.024 7.861 ( -0.000 9.438 0.000) 9.438 8.064 ( -0.000 5.611 -0.000) 5.611 8.133 ( 0.000 3.410 0.000) 3.410 8.197 ( 0.000 -1.957 0.000) 1.957 8.308 ( 0.000 -4.812 0.000) 4.812 8.457 ( 0.000 0.193 0.000) 0.193 8.589 ( -0.000 -2.651 0.000) 2.651 8.811 ( -0.000 3.175 0.000) 3.175 8.853 ( 0.000 0.984 -0.000) 0.984 8.892 ( -0.000 2.645 0.000) 2.645 9.039 ( 0.000 4.535 0.000) 4.535 9.576 ( -0.000 10.790 0.000) 10.790 9.608 ( 0.000 10.057 0.000) 10.057 9.924 ( -0.000 5.650 0.000) 5.650 9.985 ( -0.000 8.210 0.000) 8.210 10.224 ( -0.000 2.405 -0.000) 2.405 10.351 ( -0.000 10.573 0.000) 10.573 10.510 ( 0.000 4.432 -0.000) 4.432 10.538 ( -0.000 8.564 0.000) 8.564 11.025 ( 0.000 -1.201 0.000) 1.201 11.083 ( -0.000 -0.079 0.000) 0.079 11.331 ( -0.000 0.234 -0.000) 0.234 11.332 ( 0.000 1.103 0.000) 1.103 11.779 ( 0.000 13.502 0.000) 13.502 11.815 ( 0.000 11.969 0.000) 11.969 11.959 ( -0.000 -1.265 0.000) 1.265 12.043 ( 0.000 -3.390 0.000) 3.390 12.461 ( -0.000 -8.162 0.000) 8.162 12.478 ( 0.000 -7.245 -0.000) 7.245 12.758 ( -0.000 -12.653 0.000) 12.653 12.811 ( 0.000 -6.702 0.000) 6.702 12.963 ( 0.000 -8.389 -0.000) 8.389 13.024 ( -0.000 -7.775 0.000) 7.775 13.150 ( 0.000 -4.570 0.000) 4.570 13.238 ( 0.000 -8.346 0.000) 8.346 13.357 ( 0.000 -13.634 -0.000) 13.634 13.385 ( -0.000 -13.993 0.000) 13.993 13.706 ( -0.000 -14.980 0.000) 14.980 13.723 ( 0.000 -14.941 -0.000) 14.941 13.943 ( -0.000 -10.566 0.000) 10.566 13.987 ( -0.000 -14.502 0.000) 14.502 14.166 ( 0.000 -25.034 -0.000) 25.034 14.203 ( -0.000 -19.184 0.000) 19.184 14.315 ( -0.000 -16.960 0.000) 16.960 14.400 ( 0.000 -14.283 0.000) 14.283 14.499 ( 0.000 -12.994 -0.000) 12.994 14.523 ( -0.000 -12.993 0.000) 12.993 16.810 ( -0.000 25.896 0.000) 25.896 16.828 ( 0.000 25.945 -0.000) 25.945 17.655 ( 0.000 12.260 0.000) 12.260 17.657 ( -0.000 11.811 -0.000) 11.811 19.227 ( 0.000 28.558 0.000) 28.558 19.238 ( -0.000 28.341 0.000) 28.341 20.079 ( 0.000 0.252 -0.000) 0.252 20.088 ( -0.000 0.130 0.000) 0.130 21.170 ( -0.000 -7.019 0.000) 7.019 21.197 ( 0.000 -7.619 0.000) 7.619 21.587 ( -0.000 -10.046 -0.000) 10.046 21.598 ( 0.000 -10.380 0.000) 10.380 22.350 ( 0.000 5.774 0.000) 5.774 22.372 ( -0.000 5.059 0.000) 5.059 22.797 ( -0.000 5.360 -0.000) 5.360 22.823 ( 0.000 4.934 0.000) 4.934 27.273 ( -0.000 9.111 0.000) 9.111 27.318 ( 0.000 9.355 0.000) 9.355 27.538 ( 0.000 7.308 0.000) 7.308 27.570 ( 0.000 7.566 -0.000) 7.566 28.124 ( -0.000 12.715 0.000) 12.715 28.130 ( 0.000 12.745 -0.000) 12.745 28.317 ( -0.000 8.868 -0.000) 8.868 28.330 ( 0.000 8.350 0.000) 8.350 29.052 ( 0.000 6.976 0.000) 6.976 29.077 ( -0.000 6.994 -0.000) 6.994 29.328 ( 0.000 2.091 -0.000) 2.091 29.349 ( 0.000 4.247 0.000) 4.247 29.386 ( -0.000 4.255 0.000) 4.255 29.402 ( -0.000 -0.679 0.000) 0.679 29.501 ( -0.000 -2.592 0.000) 2.592 29.506 ( -0.000 -3.653 -0.000) 3.653 29.864 ( 0.000 5.375 0.000) 5.375 29.892 ( -0.000 5.068 0.000) 5.068 30.103 ( -0.000 5.159 0.000) 5.159 30.158 ( 0.000 6.882 -0.000) 6.882 30.577 ( 0.000 -6.683 0.000) 6.683 30.595 ( -0.000 -7.050 0.000) 7.050 30.713 ( -0.000 -8.998 0.000) 8.998 30.769 ( 0.000 -8.817 -0.000) 8.817 30.842 ( 0.000 -6.320 0.000) 6.320 30.856 ( -0.000 -5.862 0.000) 5.862 31.115 ( -0.000 -11.531 -0.000) 11.531 31.123 ( 0.000 -12.121 0.000) 12.121 31.860 ( 0.000 -6.133 0.000) 6.133 31.875 ( -0.000 -5.811 0.000) 5.811 32.411 ( 0.000 -21.490 -0.000) 21.490 32.430 ( 0.000 -21.423 0.000) 21.423 ======================= Grid point 119 (53/60) ======================= q-point: ( 0.25 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 0.847 15.118 -9.728) 17.998 1.576 ( 1.268 6.178 1.721) 6.537 1.626 ( -3.027 5.718 -3.044) 7.150 1.732 ( 2.370 7.992 -2.848) 8.809 1.803 ( -2.136 8.601 4.244) 9.826 1.902 ( -3.242 4.496 6.014) 8.179 1.964 ( -3.928 7.220 0.458) 8.232 2.048 ( -2.492 6.345 -2.539) 7.275 2.114 ( -0.273 2.618 -1.977) 3.292 2.167 ( 1.143 4.073 -1.145) 4.382 2.315 ( -0.586 5.623 6.243) 8.422 2.346 ( 1.535 -0.874 1.984) 2.656 2.392 ( 2.590 2.179 2.107) 3.988 2.421 ( 0.218 4.243 2.676) 5.021 2.521 ( 1.476 1.342 -1.868) 2.733 2.593 ( 0.361 0.176 0.797) 0.892 2.597 ( -1.103 2.518 -2.222) 3.535 2.689 ( -0.419 3.076 3.253) 4.496 2.745 ( -2.977 3.585 -4.687) 6.609 2.832 ( -3.826 2.578 1.168) 4.759 2.898 ( -1.269 6.516 0.842) 6.691 3.010 ( -4.266 -0.054 2.290) 4.842 3.069 ( 3.153 2.349 -2.525) 4.673 3.150 ( 1.672 7.341 -0.201) 7.531 3.207 ( 6.139 -2.978 1.684) 7.028 3.273 ( 7.218 -0.197 -0.723) 7.257 3.320 ( 9.856 4.714 -4.309) 11.744 3.356 ( 0.797 4.011 -0.802) 4.168 3.501 ( 1.551 1.951 -0.603) 2.564 3.577 ( 1.686 0.374 0.450) 1.784 3.700 ( -0.277 -0.233 2.398) 2.426 3.742 ( -1.886 2.312 1.768) 3.468 3.888 ( -1.529 3.218 3.493) 4.989 4.045 ( -3.408 1.007 -4.208) 5.507 4.136 ( -0.513 5.817 -1.418) 6.010 4.232 ( -2.210 6.317 -1.862) 6.947 4.329 ( -4.180 2.736 -0.493) 5.020 4.453 ( -1.683 4.937 -2.123) 5.631 4.533 ( -1.135 0.030 -2.254) 2.523 4.609 ( 2.518 7.199 -3.575) 8.423 4.658 ( 3.735 5.832 0.138) 6.927 4.743 ( 1.391 6.623 2.353) 7.165 4.828 ( 2.714 6.371 1.692) 7.129 4.914 ( 3.686 11.218 3.737) 12.385 4.987 ( 3.843 7.689 2.266) 8.889 5.253 ( -0.505 -2.131 -0.824) 2.340 5.282 ( 6.917 0.139 -0.203) 6.921 5.364 ( -5.469 0.074 0.704) 5.515 5.535 ( -1.160 -0.175 -1.718) 2.080 5.709 ( -0.205 5.068 0.205) 5.077 5.859 ( 2.150 2.138 0.589) 3.088 6.032 ( 0.799 -0.936 0.468) 1.317 6.325 ( -2.911 10.310 -0.614) 10.731 6.467 ( -4.966 5.642 2.176) 7.825 6.618 ( -1.188 11.921 -2.032) 12.151 6.655 ( -1.852 12.818 0.544) 12.963 6.919 ( -0.234 19.904 -0.971) 19.929 7.021 ( -9.098 8.524 -0.920) 12.501 7.287 ( 1.420 11.848 -1.848) 12.076 7.544 ( -5.250 9.805 1.974) 11.296 7.727 ( -2.555 12.559 0.723) 12.836 7.834 ( -3.685 10.076 3.057) 11.156 8.133 ( 4.130 1.286 -2.860) 5.186 8.149 ( 0.514 0.604 0.239) 0.829 8.330 ( 4.795 -4.541 -0.396) 6.616 8.365 ( 10.368 1.001 -0.638) 10.436 8.464 ( 1.681 0.276 1.320) 2.156 8.613 ( 2.552 0.215 0.040) 2.561 8.681 ( -6.249 -0.086 2.147) 6.608 8.829 ( -2.744 1.616 -1.273) 3.429 8.990 ( 3.164 3.126 -2.464) 5.085 9.080 ( 2.204 6.376 1.172) 6.847 9.489 ( -2.049 10.789 -1.899) 11.144 9.619 ( -4.088 12.154 2.403) 13.047 9.922 ( 4.223 6.979 4.201) 9.175 10.076 ( 3.911 7.198 -5.654) 9.953 10.190 ( -2.690 3.452 -0.264) 4.384 10.276 ( -6.596 6.283 1.274) 9.198 10.433 ( -0.958 1.922 -0.438) 2.192 10.575 ( -1.976 9.763 -0.376) 9.968 10.975 ( 0.430 0.166 1.834) 1.891 11.153 ( -1.285 0.886 -0.741) 1.728 11.267 ( 1.694 0.995 -1.018) 2.213 11.433 ( 3.277 1.567 2.718) 4.537 11.742 ( -0.496 10.416 -1.131) 10.489 11.835 ( 0.831 10.066 0.199) 10.102 11.977 ( 1.043 2.059 -0.400) 2.342 12.069 ( 0.940 -3.355 -0.416) 3.509 12.418 ( -1.226 -7.109 -0.792) 7.257 12.488 ( -1.248 -8.614 -0.200) 8.706 12.729 ( -2.918 -14.748 1.863) 15.149 12.798 ( -0.393 -7.931 -0.245) 7.944 12.962 ( 1.781 -2.625 0.865) 3.288 13.066 ( -0.115 -7.448 -0.589) 7.473 13.137 ( 1.622 -5.033 0.972) 5.377 13.230 ( -0.674 -8.711 -1.598) 8.882 13.348 ( -1.157 -15.190 -0.554) 15.244 13.393 ( 0.539 -13.631 0.002) 13.642 13.714 ( 0.971 -16.564 0.702) 16.607 13.741 ( 0.881 -14.765 -0.153) 14.792 13.955 ( 1.085 -12.298 -0.551) 12.358 13.983 ( -0.432 -13.868 0.518) 13.884 14.117 ( -3.225 -20.967 0.426) 21.218 14.221 ( 0.614 -21.108 0.003) 21.116 14.328 ( 1.196 -15.926 -0.415) 15.976 14.412 ( -0.486 -14.820 0.046) 14.828 14.483 ( 1.234 -13.369 1.668) 13.529 14.557 ( 1.443 -14.270 -1.923) 14.472 16.799 ( -0.442 26.358 -2.521) 26.482 16.820 ( -1.078 26.127 1.979) 26.224 17.649 ( 2.510 12.239 0.694) 12.513 17.730 ( 2.703 9.196 -0.251) 9.588 19.098 ( -4.233 29.054 0.185) 29.362 19.254 ( -5.174 28.531 -0.056) 28.996 20.050 ( 5.567 0.176 0.032) 5.570 20.247 ( 4.967 0.355 -0.501) 5.005 21.094 ( -2.360 -5.811 -0.172) 6.275 21.215 ( -2.471 -6.659 1.213) 7.205 21.577 ( 3.460 -11.522 -0.477) 12.039 21.693 ( 4.052 -11.374 0.280) 12.077 22.238 ( -5.947 5.920 0.126) 8.392 22.347 ( -5.344 7.899 -0.182) 9.538 22.786 ( 0.423 4.407 -0.313) 4.438 22.835 ( -0.083 5.293 0.298) 5.303 27.275 ( 0.164 9.098 0.143) 9.101 27.317 ( -0.127 9.348 0.158) 9.351 27.531 ( -0.415 7.504 -0.859) 7.564 27.566 ( -0.324 7.703 0.792) 7.750 28.110 ( -0.072 13.209 0.121) 13.210 28.149 ( -0.178 11.120 0.001) 11.122 28.282 ( 0.206 12.141 0.232) 12.145 28.362 ( 0.144 7.591 -0.409) 7.604 29.064 ( 1.339 6.491 -0.502) 6.647 29.092 ( 1.056 6.475 0.401) 6.572 29.274 ( -4.115 6.500 1.251) 7.794 29.308 ( -2.089 4.549 1.341) 5.182 29.385 ( -0.409 -2.480 0.506) 2.564 29.424 ( 0.692 2.065 -3.308) 3.961 29.493 ( -0.297 -2.535 -1.999) 3.242 29.511 ( 0.054 -2.272 0.810) 2.413 29.858 ( -0.182 5.940 0.839) 6.002 29.890 ( -0.302 5.447 0.091) 5.456 30.097 ( -0.286 4.645 -0.088) 4.654 30.156 ( -0.595 6.102 -0.639) 6.164 30.547 ( -0.287 -6.843 1.212) 6.955 30.609 ( -0.191 -9.414 -0.027) 9.416 30.708 ( 0.708 -7.135 -0.003) 7.170 30.797 ( 0.297 -6.498 -0.065) 6.505 30.823 ( 2.098 -6.354 0.173) 6.694 30.988 ( 2.522 -8.265 0.624) 8.664 31.050 ( 2.270 -13.241 -0.097) 13.434 31.187 ( 2.008 -14.831 1.223) 15.016 31.849 ( -0.439 -5.256 0.051) 5.274 31.878 ( -0.275 -6.405 -1.456) 6.574 32.387 ( 0.046 -19.300 -11.301) 22.365 32.438 ( -1.162 -21.395 10.692) 23.946 ======================= Grid point 120 (54/60) ======================= q-point: ( 0.50 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( -0.000 6.259 0.000) 6.259 1.532 ( -0.000 6.314 -0.000) 6.314 1.652 ( 0.000 8.324 -0.000) 8.324 1.685 ( -0.000 11.735 0.000) 11.735 1.783 ( -0.000 5.939 0.000) 5.939 1.885 ( -0.000 9.624 0.000) 9.624 1.934 ( -0.000 6.874 0.000) 6.874 1.965 ( -0.000 11.619 0.000) 11.619 2.125 ( -0.000 -0.577 0.000) 0.577 2.173 ( -0.000 2.415 -0.000) 2.415 2.318 ( -0.000 5.533 0.000) 5.533 2.366 ( -0.000 1.164 0.000) 1.164 2.421 ( -0.000 -1.642 0.000) 1.642 2.430 ( -0.000 3.523 -0.000) 3.523 2.556 ( -0.000 -0.168 -0.000) 0.168 2.573 ( 0.000 2.512 0.000) 2.512 2.631 ( -0.000 5.107 0.000) 5.107 2.641 ( 0.000 1.775 -0.000) 1.775 2.717 ( -0.000 5.394 0.000) 5.394 2.803 ( -0.000 3.894 -0.000) 3.894 2.901 ( 0.000 6.860 -0.000) 6.860 2.922 ( -0.000 1.672 0.000) 1.672 3.147 ( -0.000 -1.310 0.000) 1.310 3.149 ( 0.000 1.065 -0.000) 1.065 3.281 ( -0.000 3.381 0.000) 3.381 3.293 ( -0.000 7.614 0.000) 7.614 3.419 ( -0.000 -0.847 -0.000) 0.847 3.475 ( -0.000 2.343 0.000) 2.343 3.548 ( 0.000 2.109 -0.000) 2.109 3.560 ( -0.000 1.909 0.000) 1.909 3.700 ( -0.000 1.261 -0.000) 1.261 3.704 ( 0.000 0.855 0.000) 0.855 3.884 ( -0.000 5.774 0.000) 5.774 3.981 ( -0.000 1.044 -0.000) 1.044 4.162 ( 0.000 5.078 0.000) 5.078 4.168 ( -0.000 2.781 -0.000) 2.781 4.316 ( 0.000 2.056 0.000) 2.056 4.348 ( -0.000 1.077 -0.000) 1.077 4.541 ( -0.000 5.200 0.000) 5.200 4.617 ( -0.000 6.488 -0.000) 6.488 4.762 ( -0.000 8.864 -0.000) 8.864 4.776 ( -0.000 1.024 0.000) 1.024 4.887 ( 0.000 10.381 0.000) 10.381 4.936 ( -0.000 17.119 -0.000) 17.119 5.129 ( 0.000 1.820 0.000) 1.820 5.144 ( -0.000 -0.821 0.000) 0.821 5.273 ( -0.000 -3.664 0.000) 3.664 5.284 ( -0.000 -4.527 -0.000) 4.527 5.606 ( -0.000 1.974 0.000) 1.974 5.731 ( -0.000 -0.385 0.000) 0.385 5.911 ( -0.000 2.102 0.000) 2.102 5.987 ( -0.000 5.175 0.000) 5.175 6.357 ( 0.000 5.053 -0.000) 5.053 6.364 ( -0.000 15.078 0.000) 15.078 6.606 ( -0.000 -0.217 -0.000) 0.217 6.633 ( -0.000 13.788 0.000) 13.788 6.848 ( -0.000 11.110 0.000) 11.110 6.927 ( -0.000 18.869 0.000) 18.869 7.363 ( 0.000 13.048 0.000) 13.048 7.452 ( -0.000 14.399 0.000) 14.399 7.728 ( -0.000 11.070 0.000) 11.070 7.757 ( 0.000 12.864 -0.000) 12.864 8.146 ( -0.000 -1.650 0.000) 1.650 8.167 ( -0.000 -0.388 -0.000) 0.388 8.398 ( -0.000 -1.984 0.000) 1.984 8.464 ( 0.000 -2.043 0.000) 2.043 8.559 ( -0.000 -0.906 0.000) 0.906 8.566 ( -0.000 1.371 -0.000) 1.371 8.725 ( -0.000 4.363 -0.000) 4.363 8.749 ( 0.000 0.754 0.000) 0.754 8.997 ( 0.000 4.522 0.000) 4.522 9.092 ( -0.000 4.912 0.000) 4.912 9.523 ( -0.000 15.174 0.000) 15.174 9.525 ( 0.000 11.786 -0.000) 11.786 10.028 ( 0.000 7.064 -0.000) 7.064 10.050 ( -0.000 7.566 0.000) 7.566 10.179 ( -0.000 2.400 0.000) 2.400 10.190 ( 0.000 -0.439 0.000) 0.439 10.473 ( -0.000 7.184 0.000) 7.184 10.491 ( -0.000 6.555 0.000) 6.555 11.047 ( -0.000 0.689 -0.000) 0.689 11.056 ( 0.000 1.094 0.000) 1.094 11.329 ( -0.000 3.351 0.000) 3.351 11.440 ( -0.000 2.880 0.000) 2.880 11.775 ( -0.000 9.719 0.000) 9.719 11.829 ( -0.000 9.306 0.000) 9.306 11.992 ( -0.000 -0.292 0.000) 0.292 12.064 ( -0.000 -1.914 0.000) 1.914 12.432 ( -0.000 -10.050 0.000) 10.050 12.442 ( 0.000 -7.451 -0.000) 7.451 12.698 ( 0.000 -13.136 0.000) 13.136 12.794 ( -0.000 -7.748 0.000) 7.748 13.016 ( -0.000 -3.250 -0.000) 3.250 13.019 ( -0.000 -3.600 0.000) 3.600 13.194 ( 0.000 -6.564 0.000) 6.564 13.208 ( -0.000 -8.654 0.000) 8.654 13.326 ( -0.000 -16.875 0.000) 16.875 13.398 ( -0.000 -13.487 0.000) 13.487 13.734 ( -0.000 -17.067 0.000) 17.067 13.744 ( -0.000 -15.499 -0.000) 15.499 13.974 ( 0.000 -14.423 0.000) 14.423 13.976 ( -0.000 -13.606 -0.000) 13.606 14.076 ( -0.000 -18.362 0.000) 18.362 14.225 ( -0.000 -20.529 0.000) 20.529 14.345 ( -0.000 -15.061 0.000) 15.061 14.398 ( -0.000 -15.674 0.000) 15.674 14.512 ( -0.000 -13.543 0.000) 13.543 14.567 ( -0.000 -15.559 0.000) 15.559 16.797 ( -0.000 26.438 0.000) 26.438 16.801 ( 0.000 26.698 -0.000) 26.698 17.719 ( -0.000 9.605 0.000) 9.605 17.727 ( 0.000 9.312 0.000) 9.312 19.104 ( -0.000 29.169 -0.000) 29.169 19.127 ( -0.000 28.514 0.000) 28.514 20.204 ( -0.000 0.409 0.000) 0.409 20.222 ( 0.000 0.886 0.000) 0.886 21.118 ( -0.000 -5.734 0.000) 5.734 21.133 ( 0.000 -5.167 0.000) 5.167 21.677 ( -0.000 -12.620 0.000) 12.620 21.692 ( -0.000 -13.361 -0.000) 13.361 22.216 ( 0.000 9.020 -0.000) 9.020 22.222 ( -0.000 8.323 0.000) 8.323 22.804 ( -0.000 4.877 -0.000) 4.877 22.823 ( -0.000 4.693 0.000) 4.693 27.277 ( -0.000 9.041 0.000) 9.041 27.315 ( -0.000 9.395 0.000) 9.395 27.526 ( -0.000 7.590 0.000) 7.590 27.563 ( -0.000 7.950 -0.000) 7.950 28.120 ( -0.000 12.066 -0.000) 12.066 28.129 ( -0.000 12.624 0.000) 12.624 28.316 ( 0.000 10.823 0.000) 10.823 28.338 ( -0.000 9.982 -0.000) 9.982 29.086 ( -0.000 6.805 0.000) 6.805 29.106 ( -0.000 5.087 0.000) 5.087 29.225 ( -0.000 4.699 -0.000) 4.699 29.279 ( -0.000 9.064 0.000) 9.064 29.395 ( -0.000 -1.833 0.000) 1.833 29.411 ( -0.000 -1.328 0.000) 1.328 29.491 ( -0.000 -1.910 -0.000) 1.910 29.509 ( -0.000 -0.780 0.000) 0.780 29.859 ( -0.000 6.247 0.000) 6.247 29.886 ( -0.000 5.749 0.000) 5.749 30.093 ( -0.000 4.203 0.000) 4.203 30.146 ( -0.000 5.183 -0.000) 5.183 30.557 ( -0.000 -7.901 0.000) 7.901 30.598 ( -0.000 -9.359 -0.000) 9.359 30.717 ( -0.000 -6.007 0.000) 6.007 30.799 ( -0.000 -5.716 0.000) 5.716 30.901 ( -0.000 -8.722 0.000) 8.722 30.913 ( -0.000 -7.282 -0.000) 7.282 31.170 ( 0.000 -16.593 0.000) 16.593 31.178 ( -0.000 -15.868 -0.000) 15.868 31.849 ( -0.000 -5.830 -0.000) 5.830 31.865 ( -0.000 -5.225 0.000) 5.225 32.393 ( 0.000 -19.204 -0.000) 19.204 32.419 ( -0.000 -19.413 0.000) 19.413 ======================= Grid point 123 (55/60) ======================= q-point: ( 0.00 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( -0.000 6.891 -0.000) 6.891 1.723 ( 0.000 10.644 0.000) 10.644 1.873 ( -0.000 5.502 -0.000) 5.502 1.895 ( 0.000 5.446 0.000) 5.446 1.963 ( -0.000 4.183 0.000) 4.183 1.982 ( 0.000 10.092 0.000) 10.092 2.067 ( 0.000 3.889 0.000) 3.889 2.075 ( -0.000 3.176 -0.000) 3.176 2.234 ( 0.000 1.577 -0.000) 1.577 2.235 ( -0.000 1.580 0.000) 1.580 2.311 ( 0.000 1.530 0.000) 1.530 2.328 ( -0.000 0.388 -0.000) 0.388 2.449 ( -0.000 2.106 0.000) 2.106 2.471 ( 0.000 1.013 0.000) 1.013 2.572 ( 0.000 2.098 0.000) 2.098 2.616 ( 0.000 3.522 0.000) 3.522 2.711 ( 0.000 4.220 0.000) 4.220 2.712 ( -0.000 3.417 -0.000) 3.417 2.821 ( -0.000 0.041 0.000) 0.041 2.869 ( -0.000 0.334 -0.000) 0.334 2.945 ( 0.000 0.691 0.000) 0.691 2.948 ( -0.000 -3.388 -0.000) 3.388 3.096 ( 0.000 -1.760 0.000) 1.760 3.139 ( -0.000 4.474 -0.000) 4.474 3.264 ( -0.000 -2.535 0.000) 2.535 3.294 ( -0.000 5.105 0.000) 5.105 3.337 ( 0.000 6.011 -0.000) 6.011 3.351 ( -0.000 5.723 0.000) 5.723 3.525 ( 0.000 1.171 0.000) 1.171 3.535 ( 0.000 2.397 0.000) 2.397 3.754 ( 0.000 0.889 0.000) 0.889 3.754 ( -0.000 -0.345 -0.000) 0.345 3.936 ( -0.000 2.071 0.000) 2.071 3.969 ( 0.000 -2.841 -0.000) 2.841 4.240 ( 0.000 -1.268 -0.000) 1.268 4.293 ( 0.000 -0.540 -0.000) 0.540 4.365 ( -0.000 -4.575 0.000) 4.575 4.490 ( 0.000 -0.660 0.000) 0.660 4.628 ( 0.000 4.290 0.000) 4.290 4.664 ( -0.000 4.682 -0.000) 4.682 4.826 ( 0.000 3.638 0.000) 3.638 4.838 ( -0.000 3.502 -0.000) 3.502 4.909 ( -0.000 7.066 -0.000) 7.066 4.964 ( 0.000 4.551 -0.000) 4.551 5.080 ( 0.000 2.282 0.000) 2.282 5.147 ( -0.000 3.377 0.000) 3.377 5.287 ( -0.000 0.371 0.000) 0.371 5.363 ( 0.000 -3.226 0.000) 3.226 5.711 ( 0.000 3.335 0.000) 3.335 5.758 ( -0.000 -1.628 -0.000) 1.628 5.908 ( 0.000 8.553 0.000) 8.553 6.025 ( -0.000 2.498 0.000) 2.498 6.465 ( 0.000 0.637 -0.000) 0.637 6.525 ( -0.000 -1.471 0.000) 1.471 6.954 ( 0.000 16.445 0.000) 16.445 7.020 ( -0.000 15.502 0.000) 15.502 7.268 ( 0.000 11.839 0.000) 11.839 7.376 ( -0.000 13.139 -0.000) 13.139 7.646 ( 0.000 18.146 0.000) 18.146 7.717 ( -0.000 13.836 -0.000) 13.836 7.953 ( -0.000 8.339 -0.000) 8.339 7.979 ( 0.000 -2.670 0.000) 2.670 8.120 ( 0.000 5.920 0.000) 5.920 8.139 ( -0.000 -3.469 -0.000) 3.469 8.262 ( -0.000 6.705 -0.000) 6.705 8.280 ( 0.000 6.867 0.000) 6.867 8.504 ( 0.000 1.827 -0.000) 1.827 8.559 ( -0.000 -1.775 0.000) 1.775 8.832 ( -0.000 -1.490 -0.000) 1.490 8.840 ( -0.000 -1.274 -0.000) 1.274 8.941 ( 0.000 2.991 0.000) 2.991 9.129 ( 0.000 1.900 0.000) 1.900 9.798 ( 0.000 9.360 0.000) 9.360 9.812 ( -0.000 12.616 -0.000) 12.616 10.044 ( -0.000 7.561 0.000) 7.561 10.154 ( 0.000 9.481 -0.000) 9.481 10.266 ( -0.000 3.702 0.000) 3.702 10.453 ( 0.000 2.173 0.000) 2.173 10.722 ( 0.000 13.688 0.000) 13.688 10.734 ( -0.000 9.098 -0.000) 9.098 11.050 ( 0.000 4.414 0.000) 4.414 11.102 ( -0.000 2.442 0.000) 2.442 11.318 ( -0.000 -1.567 0.000) 1.567 11.343 ( 0.000 -0.193 0.000) 0.193 11.837 ( 0.000 -5.600 0.000) 5.600 11.870 ( -0.000 -5.206 0.000) 5.206 12.049 ( -0.000 2.485 0.000) 2.485 12.076 ( 0.000 6.002 -0.000) 6.002 12.252 ( -0.000 -12.477 -0.000) 12.477 12.271 ( 0.000 -8.521 0.000) 8.521 12.476 ( -0.000 -16.403 0.000) 16.403 12.524 ( 0.000 -20.056 0.000) 20.056 12.896 ( -0.000 -0.979 0.000) 0.979 12.903 ( 0.000 -3.834 -0.000) 3.834 13.057 ( 0.000 -4.221 -0.000) 4.221 13.075 ( -0.000 -6.445 0.000) 6.445 13.181 ( -0.000 -4.931 0.000) 4.931 13.186 ( 0.000 -7.368 -0.000) 7.368 13.391 ( -0.000 -15.754 0.000) 15.754 13.408 ( 0.000 -15.562 0.000) 15.562 13.656 ( 0.000 -17.395 0.000) 17.395 13.662 ( -0.000 -14.793 -0.000) 14.793 13.848 ( -0.000 -7.492 0.000) 7.492 13.895 ( 0.000 -12.313 0.000) 12.313 14.089 ( -0.000 -7.798 0.000) 7.798 14.134 ( 0.000 -11.611 0.000) 11.611 14.330 ( 0.000 -6.023 -0.000) 6.023 14.334 ( -0.000 -7.010 0.000) 7.010 17.259 ( -0.000 20.085 0.000) 20.085 17.275 ( 0.000 19.865 -0.000) 19.865 17.807 ( 0.000 3.115 0.000) 3.115 17.808 ( -0.000 3.094 -0.000) 3.094 19.798 ( -0.000 29.456 -0.000) 29.456 19.804 ( 0.000 29.150 0.000) 29.150 20.186 ( 0.000 10.170 -0.000) 10.170 20.193 ( -0.000 10.039 0.000) 10.039 21.014 ( -0.000 -9.391 0.000) 9.391 21.031 ( 0.000 -9.818 0.000) 9.818 21.322 ( -0.000 -16.912 -0.000) 16.912 21.329 ( 0.000 -17.011 0.000) 17.011 22.459 ( 0.000 5.513 0.000) 5.513 22.469 ( -0.000 5.042 -0.000) 5.042 22.844 ( -0.000 -0.168 -0.000) 0.168 22.861 ( 0.000 -0.683 0.000) 0.683 27.452 ( -0.000 8.834 0.000) 8.834 27.498 ( 0.000 8.719 0.000) 8.719 27.653 ( 0.000 4.110 0.000) 4.110 27.688 ( 0.000 4.171 -0.000) 4.171 28.299 ( -0.000 5.390 0.000) 5.390 28.309 ( -0.000 5.605 0.000) 5.605 28.438 ( -0.000 3.914 0.000) 3.914 28.446 ( 0.000 3.897 0.000) 3.897 29.149 ( 0.000 2.517 0.000) 2.517 29.176 ( -0.000 2.599 -0.000) 2.599 29.261 ( 0.000 -4.262 0.000) 4.262 29.293 ( 0.000 -4.542 0.000) 4.542 29.473 ( -0.000 5.513 -0.000) 5.513 29.486 ( -0.000 3.394 0.000) 3.394 29.543 ( 0.000 4.861 -0.000) 4.861 29.554 ( -0.000 7.392 0.000) 7.392 29.991 ( 0.000 7.222 -0.000) 7.222 30.013 ( -0.000 7.042 0.000) 7.042 30.177 ( -0.000 1.984 0.000) 1.984 30.278 ( 0.000 4.927 -0.000) 4.927 30.445 ( 0.000 -8.194 0.000) 8.194 30.455 ( -0.000 -5.545 -0.000) 5.545 30.551 ( 0.000 -7.339 0.000) 7.339 30.618 ( -0.000 -6.868 -0.000) 6.868 30.727 ( 0.000 -4.659 0.000) 4.659 30.759 ( -0.000 -3.884 0.000) 3.884 30.912 ( -0.000 -8.918 -0.000) 8.918 30.913 ( 0.000 -9.250 0.000) 9.250 31.771 ( 0.000 -2.739 0.000) 2.739 31.791 ( -0.000 -2.628 0.000) 2.628 32.073 ( 0.000 -13.636 -0.000) 13.636 32.092 ( 0.000 -13.662 0.000) 13.662 ======================= Grid point 125 (56/60) ======================= q-point: ( 0.25 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( -0.247 4.841 4.569) 6.661 1.707 ( -3.066 10.618 -3.525) 11.600 1.768 ( -2.962 10.188 -2.673) 10.941 1.890 ( 2.004 8.189 -5.520) 10.077 1.957 ( 0.387 5.538 -1.174) 5.674 2.017 ( 0.826 5.779 4.093) 7.130 2.081 ( 1.692 1.593 0.235) 2.336 2.118 ( 0.406 7.688 0.874) 7.748 2.200 ( -1.445 3.532 -2.978) 4.841 2.232 ( -1.499 2.339 -0.641) 2.851 2.339 ( 1.140 -0.206 1.565) 1.947 2.394 ( 0.441 -0.914 4.355) 4.472 2.438 ( 3.073 4.081 -1.123) 5.231 2.492 ( -3.522 0.195 0.665) 3.589 2.531 ( 2.685 2.432 5.733) 6.782 2.605 ( 0.946 3.220 -2.911) 4.442 2.669 ( -1.300 3.811 -2.803) 4.906 2.768 ( -0.355 4.551 0.500) 4.592 2.815 ( 0.128 3.210 -0.168) 3.217 2.859 ( -0.674 2.020 -0.668) 2.232 2.985 ( 2.077 -0.232 0.196) 2.099 3.030 ( 3.835 1.155 0.103) 4.007 3.063 ( 0.943 -2.779 0.784) 3.038 3.156 ( 1.854 2.174 1.075) 3.053 3.221 ( -0.605 2.635 0.527) 2.755 3.334 ( 2.148 3.249 1.107) 4.049 3.373 ( 4.433 1.601 -2.609) 5.387 3.448 ( 3.663 2.161 -1.046) 4.379 3.511 ( 0.527 -0.847 -1.865) 2.115 3.540 ( -0.632 -1.100 3.964) 4.162 3.719 ( -0.199 1.290 -2.601) 2.910 3.773 ( -1.309 -0.711 5.161) 5.372 3.946 ( 0.326 3.546 2.831) 4.549 3.978 ( 0.399 -1.847 -3.813) 4.256 4.195 ( -1.185 1.015 -0.238) 1.579 4.290 ( -1.085 -0.005 0.727) 1.306 4.377 ( -3.454 1.667 -2.248) 4.445 4.488 ( 3.487 -2.206 -5.414) 6.807 4.539 ( -7.199 2.188 -1.398) 7.653 4.686 ( 2.893 2.245 1.208) 3.856 4.776 ( -3.720 4.530 -1.729) 6.111 4.851 ( 0.650 3.405 -3.109) 4.656 4.910 ( 5.895 3.056 3.792) 7.646 5.030 ( 4.516 1.945 7.235) 8.748 5.113 ( 1.074 2.505 0.791) 2.838 5.201 ( -3.036 -2.871 -2.070) 4.663 5.282 ( -0.952 -0.438 2.516) 2.726 5.374 ( -1.300 -0.178 -2.131) 2.503 5.567 ( -1.616 3.349 -2.469) 4.464 5.756 ( -3.748 0.268 1.258) 3.963 5.934 ( -1.603 2.289 0.581) 2.854 6.003 ( 1.680 -1.150 0.455) 2.086 6.423 ( 0.679 3.202 -0.162) 3.277 6.564 ( -2.498 3.578 -0.218) 4.370 6.915 ( -2.300 15.874 -0.314) 16.043 6.995 ( -3.049 17.242 -0.271) 17.512 7.213 ( -0.329 16.236 -1.407) 16.300 7.398 ( -1.110 20.133 0.646) 20.173 7.625 ( 2.130 20.860 -1.128) 20.998 7.763 ( -0.580 12.441 2.491) 12.702 7.937 ( 0.536 10.027 -1.813) 10.204 8.004 ( -0.261 -0.583 -0.225) 0.677 8.085 ( -1.968 -1.382 0.751) 2.519 8.151 ( -2.966 2.216 2.597) 4.523 8.259 ( 5.772 2.147 -2.645) 6.702 8.377 ( 6.211 1.759 1.301) 6.585 8.536 ( 2.283 3.121 3.040) 4.919 8.608 ( 4.604 -2.156 -1.768) 5.382 8.691 ( -7.367 0.709 1.387) 7.530 8.832 ( -2.297 -1.285 -3.930) 4.730 9.010 ( 3.076 -1.364 -0.828) 3.465 9.146 ( 0.002 -0.988 1.745) 2.005 9.739 ( -0.252 14.178 -1.451) 14.254 9.854 ( -0.980 11.472 0.541) 11.527 10.027 ( 1.875 5.097 4.976) 7.366 10.219 ( -0.331 4.433 -4.684) 6.458 10.239 ( 0.565 5.685 -1.362) 5.873 10.437 ( -9.435 10.017 0.729) 13.780 10.543 ( 2.290 10.135 0.141) 10.391 10.814 ( -2.247 12.054 0.354) 12.266 10.992 ( 0.142 2.277 2.532) 3.408 11.174 ( -4.193 0.809 -1.860) 4.657 11.298 ( 7.696 2.524 -0.369) 8.108 11.455 ( 5.325 -0.131 1.793) 5.620 11.787 ( -0.666 -4.237 -2.536) 4.982 11.894 ( -2.150 -5.878 1.040) 6.344 11.989 ( -2.080 -2.231 0.400) 3.076 12.073 ( -3.115 -2.859 -1.015) 4.349 12.230 ( 0.677 -7.403 -1.851) 7.661 12.303 ( -0.281 -6.623 1.641) 6.829 12.454 ( 1.180 -13.744 1.346) 13.860 12.563 ( 1.591 -16.338 0.581) 16.425 12.901 ( 1.647 -2.931 1.016) 3.512 12.951 ( 2.067 -2.413 -2.707) 4.174 13.028 ( -1.780 -6.208 -0.522) 6.480 13.058 ( -0.958 -5.926 0.799) 6.056 13.158 ( -1.451 -5.557 1.007) 5.831 13.220 ( 1.687 -5.808 -1.581) 6.251 13.351 ( -0.327 -17.995 -0.325) 18.001 13.441 ( -0.593 -14.030 2.416) 14.249 13.642 ( -0.238 -16.500 -1.182) 16.544 13.664 ( -0.231 -15.849 0.294) 15.854 13.845 ( -0.720 -8.290 0.204) 8.324 13.898 ( 0.606 -11.512 -0.265) 11.531 14.099 ( 1.558 -9.267 0.095) 9.397 14.165 ( 1.440 -10.634 -0.677) 10.752 14.301 ( -0.862 -5.861 1.660) 6.152 14.347 ( -0.143 -7.650 -1.210) 7.746 17.253 ( -0.351 20.226 1.714) 20.302 17.273 ( -0.351 20.180 -2.047) 20.287 17.803 ( 1.086 3.089 0.109) 3.277 17.840 ( 1.067 1.677 0.140) 1.993 19.687 ( -3.237 30.658 0.070) 30.828 19.819 ( -5.803 28.935 -0.017) 29.511 20.163 ( 6.457 10.796 -0.006) 12.580 20.336 ( 4.232 8.270 -0.242) 9.293 20.959 ( -1.101 -8.489 -0.090) 8.560 21.066 ( -1.193 -8.808 0.585) 8.907 21.287 ( 1.909 -18.098 -0.165) 18.199 21.400 ( 1.837 -18.281 0.066) 18.373 22.372 ( -2.854 7.731 -0.107) 8.241 22.492 ( -2.782 7.168 0.028) 7.689 22.809 ( -0.380 -1.677 0.037) 1.720 22.874 ( -0.618 -1.065 -0.032) 1.232 27.453 ( 0.082 8.783 0.105) 8.784 27.497 ( -0.123 8.721 0.046) 8.722 27.650 ( -0.216 4.267 -0.160) 4.276 27.688 ( -0.008 4.294 0.105) 4.295 28.296 ( -0.340 5.707 0.572) 5.746 28.305 ( -0.175 5.323 -0.528) 5.352 28.442 ( 0.610 4.605 0.307) 4.655 28.458 ( 0.644 2.933 -0.435) 3.034 29.150 ( 0.412 2.270 -1.293) 2.645 29.178 ( -0.199 1.850 1.425) 2.343 29.252 ( -0.740 -3.392 -0.017) 3.472 29.293 ( 0.037 -4.327 0.168) 4.331 29.461 ( -0.646 5.384 -1.238) 5.563 29.492 ( -0.056 6.301 1.362) 6.447 29.523 ( -0.390 4.822 0.961) 4.933 29.566 ( 0.012 6.033 -1.641) 6.253 29.989 ( -0.084 7.145 0.428) 7.159 30.013 ( -0.055 6.989 -0.273) 6.994 30.170 ( -0.475 2.217 0.078) 2.269 30.271 ( -0.861 5.004 -0.653) 5.119 30.426 ( -0.751 -7.347 -1.145) 7.473 30.442 ( -1.414 -5.076 1.718) 5.543 30.558 ( 2.181 -7.975 -0.233) 8.271 30.657 ( 1.259 -8.053 0.001) 8.151 30.726 ( 0.720 -3.617 -0.083) 3.689 30.816 ( 2.823 -8.057 0.458) 8.549 30.860 ( -1.434 -6.653 0.402) 6.818 30.939 ( 0.245 -10.570 0.023) 10.572 31.768 ( -0.130 -2.544 -0.164) 2.553 31.791 ( -0.027 -2.536 -0.407) 2.568 32.072 ( 0.448 -13.112 -3.991) 13.713 32.099 ( 0.046 -13.758 4.079) 14.350 ======================= Grid point 126 (57/60) ======================= q-point: ( 0.50 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( -0.000 9.129 0.000) 9.129 1.663 ( -0.000 7.388 -0.000) 7.388 1.807 ( 0.000 7.531 -0.000) 7.531 1.919 ( -0.000 10.184 0.000) 10.184 1.940 ( 0.000 8.299 -0.000) 8.299 2.025 ( -0.000 4.488 0.000) 4.488 2.092 ( -0.000 6.130 -0.000) 6.130 2.142 ( -0.000 5.809 0.000) 5.809 2.151 ( 0.000 6.009 -0.000) 6.009 2.208 ( -0.000 1.432 0.000) 1.432 2.375 ( -0.000 -0.179 -0.000) 0.179 2.394 ( 0.000 0.887 -0.000) 0.887 2.432 ( -0.000 3.412 0.000) 3.412 2.460 ( -0.000 -0.889 0.000) 0.889 2.595 ( -0.000 4.949 0.000) 4.949 2.629 ( -0.000 3.781 0.000) 3.781 2.685 ( -0.000 0.649 0.000) 0.649 2.699 ( 0.000 2.812 -0.000) 2.812 2.823 ( -0.000 4.277 0.000) 4.277 2.856 ( -0.000 1.907 0.000) 1.907 3.008 ( -0.000 6.401 0.000) 6.401 3.027 ( -0.000 5.200 -0.000) 5.200 3.109 ( -0.000 -0.506 0.000) 0.506 3.158 ( -0.000 1.125 -0.000) 1.125 3.335 ( -0.000 0.453 0.000) 0.453 3.374 ( 0.000 -2.028 -0.000) 2.028 3.376 ( -0.000 -1.367 0.000) 1.367 3.443 ( 0.000 -2.008 -0.000) 2.008 3.504 ( -0.000 -3.212 0.000) 3.212 3.573 ( -0.000 -0.908 -0.000) 0.908 3.727 ( -0.000 -0.059 0.000) 0.059 3.748 ( 0.000 1.377 0.000) 1.377 3.941 ( -0.000 -0.341 0.000) 0.341 3.974 ( -0.000 4.265 -0.000) 4.265 4.231 ( 0.000 3.907 0.000) 3.907 4.232 ( -0.000 2.487 -0.000) 2.487 4.359 ( 0.000 3.051 0.000) 3.051 4.379 ( -0.000 0.848 -0.000) 0.848 4.596 ( -0.000 1.218 0.000) 1.218 4.681 ( -0.000 -0.020 0.000) 0.020 4.784 ( -0.000 -0.114 0.000) 0.114 4.862 ( -0.000 1.409 0.000) 1.409 5.016 ( -0.000 2.311 0.000) 2.311 5.087 ( -0.000 1.923 -0.000) 1.923 5.123 ( -0.000 -2.924 -0.000) 2.924 5.133 ( 0.000 -2.257 0.000) 2.257 5.253 ( 0.000 -0.290 0.000) 0.290 5.258 ( -0.000 0.359 -0.000) 0.359 5.632 ( -0.000 1.284 0.000) 1.284 5.710 ( 0.000 -0.146 0.000) 0.146 5.922 ( -0.000 -1.662 -0.000) 1.662 6.024 ( -0.000 -2.907 0.000) 2.907 6.452 ( -0.000 6.888 0.000) 6.888 6.483 ( -0.000 2.358 0.000) 2.358 6.897 ( 0.000 23.610 0.000) 23.610 6.948 ( -0.000 17.590 0.000) 17.590 7.257 ( 0.000 25.106 -0.000) 25.106 7.343 ( -0.000 19.560 0.000) 19.560 7.665 ( -0.000 17.532 0.000) 17.532 7.749 ( -0.000 14.327 -0.000) 14.327 7.951 ( -0.000 11.893 0.000) 11.893 7.991 ( -0.000 6.021 -0.000) 6.021 8.064 ( -0.000 -0.751 0.000) 0.751 8.090 ( 0.000 -5.315 -0.000) 5.315 8.384 ( 0.000 2.215 -0.000) 2.215 8.430 ( -0.000 -0.478 0.000) 0.478 8.568 ( 0.000 1.360 0.000) 1.360 8.584 ( -0.000 -1.997 -0.000) 1.997 8.735 ( -0.000 -3.592 -0.000) 3.592 8.765 ( 0.000 -0.087 0.000) 0.087 9.023 ( -0.000 -2.403 0.000) 2.403 9.136 ( -0.000 -2.086 0.000) 2.086 9.783 ( -0.000 14.182 0.000) 14.182 9.811 ( 0.000 13.148 -0.000) 13.148 10.091 ( 0.000 -2.179 0.000) 2.179 10.139 ( -0.000 4.449 -0.000) 4.449 10.282 ( 0.000 10.280 -0.000) 10.280 10.285 ( -0.000 12.354 0.000) 12.354 10.682 ( 0.000 11.323 0.000) 11.323 10.695 ( -0.000 13.511 0.000) 13.511 11.056 ( -0.000 -0.755 -0.000) 0.755 11.062 ( 0.000 1.833 0.000) 1.833 11.422 ( -0.000 4.986 0.000) 4.986 11.502 ( -0.000 2.011 0.000) 2.011 11.816 ( -0.000 -7.119 0.000) 7.119 11.826 ( 0.000 -4.360 -0.000) 4.360 11.967 ( 0.000 -10.277 0.000) 10.277 12.019 ( -0.000 -6.315 0.000) 6.315 12.246 ( 0.000 -5.729 0.000) 5.729 12.290 ( -0.000 -2.187 -0.000) 2.187 12.487 ( -0.000 -10.195 -0.000) 10.195 12.577 ( -0.000 -15.445 0.000) 15.445 12.941 ( 0.000 -2.892 -0.000) 2.892 12.942 ( -0.000 -2.453 0.000) 2.453 13.020 ( 0.000 -8.241 0.000) 8.241 13.046 ( -0.000 -6.302 0.000) 6.302 13.141 ( -0.000 -4.923 0.000) 4.923 13.236 ( -0.000 -5.500 0.000) 5.500 13.382 ( 0.000 -15.850 0.000) 15.850 13.397 ( -0.000 -16.787 0.000) 16.787 13.643 ( -0.000 -15.481 0.000) 15.481 13.661 ( 0.000 -16.253 -0.000) 16.253 13.832 ( -0.000 -8.704 0.000) 8.704 13.907 ( -0.000 -11.435 0.000) 11.435 14.132 ( -0.000 -8.981 0.000) 8.981 14.163 ( -0.000 -10.020 0.000) 10.020 14.309 ( -0.000 -6.905 0.000) 6.905 14.332 ( 0.000 -8.086 -0.000) 8.086 17.254 ( -0.000 20.414 0.000) 20.414 17.262 ( -0.000 20.433 -0.000) 20.433 17.834 ( -0.000 1.806 -0.000) 1.806 17.836 ( 0.000 1.544 0.000) 1.544 19.691 ( 0.000 30.478 -0.000) 30.478 19.703 ( -0.000 30.034 0.000) 30.034 20.302 ( 0.000 8.995 0.000) 8.995 20.325 ( -0.000 9.062 0.000) 9.062 20.985 ( -0.000 -8.319 0.000) 8.319 21.008 ( -0.000 -8.125 0.000) 8.125 21.367 ( 0.000 -18.813 0.000) 18.813 21.374 ( -0.000 -19.048 -0.000) 19.048 22.393 ( -0.000 9.254 -0.000) 9.254 22.393 ( 0.000 9.324 0.000) 9.324 22.832 ( -0.000 -1.814 -0.000) 1.814 22.846 ( 0.000 -2.157 0.000) 2.157 27.454 ( -0.000 8.721 0.000) 8.721 27.495 ( -0.000 8.734 0.000) 8.734 27.648 ( -0.000 4.420 0.000) 4.420 27.688 ( -0.000 4.418 -0.000) 4.418 28.291 ( -0.000 5.716 0.000) 5.716 28.304 ( -0.000 5.440 0.000) 5.440 28.453 ( 0.000 3.777 0.000) 3.777 28.462 ( -0.000 3.413 0.000) 3.413 29.162 ( -0.000 1.071 0.000) 1.071 29.170 ( 0.000 1.970 -0.000) 1.970 29.242 ( -0.000 -2.363 0.000) 2.363 29.294 ( -0.000 -4.145 0.000) 4.145 29.453 ( -0.000 5.558 -0.000) 5.558 29.488 ( -0.000 7.504 0.000) 7.504 29.529 ( -0.000 5.654 -0.000) 5.654 29.557 ( -0.000 5.176 0.000) 5.176 29.989 ( -0.000 6.904 -0.000) 6.904 30.012 ( -0.000 7.008 0.000) 7.008 30.165 ( -0.000 2.305 0.000) 2.305 30.256 ( -0.000 5.404 0.000) 5.404 30.422 ( -0.000 -8.138 0.000) 8.138 30.427 ( 0.000 -4.787 -0.000) 4.787 30.588 ( -0.000 -7.440 0.000) 7.440 30.666 ( -0.000 -8.695 0.000) 8.695 30.752 ( -0.000 -5.285 0.000) 5.285 30.788 ( 0.000 -5.250 -0.000) 5.250 30.911 ( 0.000 -10.079 0.000) 10.079 30.920 ( -0.000 -10.488 -0.000) 10.488 31.767 ( -0.000 -2.426 0.000) 2.426 31.789 ( -0.000 -2.301 0.000) 2.301 32.078 ( 0.000 -13.163 -0.000) 13.163 32.100 ( -0.000 -13.325 0.000) 13.325 ======================= Grid point 129 (58/60) ======================= q-point: ( 0.00 0.45 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 0.000 6.593 -0.000) 6.593 1.863 ( -0.000 2.616 0.000) 2.616 1.931 ( 0.000 -2.712 -0.000) 2.712 1.935 ( -0.000 0.351 0.000) 0.351 2.019 ( -0.000 4.767 0.000) 4.767 2.047 ( 0.000 0.998 -0.000) 0.998 2.160 ( 0.000 3.120 0.000) 3.120 2.189 ( -0.000 1.123 0.000) 1.123 2.242 ( -0.000 1.021 0.000) 1.021 2.279 ( 0.000 1.326 0.000) 1.326 2.330 ( -0.000 2.304 0.000) 2.304 2.349 ( -0.000 2.320 0.000) 2.320 2.416 ( -0.000 -3.184 0.000) 3.184 2.430 ( -0.000 -3.049 0.000) 3.049 2.654 ( 0.000 5.007 -0.000) 5.007 2.719 ( -0.000 0.492 0.000) 0.492 2.777 ( -0.000 5.582 -0.000) 5.582 2.788 ( 0.000 3.384 0.000) 3.384 2.835 ( -0.000 0.647 0.000) 0.647 2.853 ( 0.000 -0.994 -0.000) 0.994 2.911 ( 0.000 0.050 -0.000) 0.050 2.972 ( -0.000 -1.444 -0.000) 1.444 3.058 ( 0.000 -0.978 0.000) 0.978 3.093 ( -0.000 -5.698 -0.000) 5.698 3.293 ( 0.000 5.138 0.000) 5.138 3.360 ( 0.000 0.596 0.000) 0.596 3.406 ( 0.000 2.708 -0.000) 2.708 3.451 ( -0.000 2.146 0.000) 2.146 3.557 ( -0.000 -0.538 0.000) 0.538 3.557 ( 0.000 0.859 -0.000) 0.859 3.726 ( 0.000 -0.637 -0.000) 0.637 3.742 ( -0.000 -1.429 -0.000) 1.429 4.009 ( -0.000 5.465 0.000) 5.465 4.025 ( -0.000 5.203 -0.000) 5.203 4.202 ( 0.000 -1.885 -0.000) 1.885 4.243 ( -0.000 -6.072 0.000) 6.072 4.299 ( -0.000 1.285 0.000) 1.285 4.395 ( 0.000 -7.180 0.000) 7.180 4.684 ( 0.000 1.613 -0.000) 1.613 4.700 ( -0.000 -0.062 0.000) 0.062 4.887 ( -0.000 2.572 -0.000) 2.572 4.900 ( 0.000 1.776 0.000) 1.776 5.010 ( -0.000 2.587 -0.000) 2.587 5.023 ( 0.000 1.164 -0.000) 1.164 5.131 ( 0.000 3.275 0.000) 3.275 5.172 ( 0.000 -0.467 0.000) 0.467 5.294 ( 0.000 0.135 -0.000) 0.135 5.307 ( -0.000 -1.869 -0.000) 1.869 5.760 ( 0.000 2.009 0.000) 2.009 5.762 ( -0.000 2.430 -0.000) 2.430 5.975 ( -0.000 -1.246 0.000) 1.246 5.998 ( 0.000 -4.422 -0.000) 4.422 6.530 ( 0.000 3.993 -0.000) 3.993 6.537 ( -0.000 2.392 0.000) 2.392 7.128 ( -0.000 0.612 -0.000) 0.612 7.141 ( 0.000 1.496 0.000) 1.496 7.519 ( 0.000 7.601 0.000) 7.601 7.536 ( -0.000 11.911 -0.000) 11.911 7.808 ( 0.000 -5.624 0.000) 5.624 7.894 ( 0.000 -10.314 -0.000) 10.314 8.017 ( -0.000 12.171 -0.000) 12.171 8.024 ( 0.000 12.238 0.000) 12.238 8.259 ( -0.000 6.600 0.000) 6.600 8.272 ( 0.000 2.445 -0.000) 2.445 8.378 ( 0.000 3.344 -0.000) 3.344 8.421 ( -0.000 4.463 0.000) 4.463 8.494 ( -0.000 2.054 0.000) 2.054 8.532 ( -0.000 1.915 0.000) 1.915 8.801 ( -0.000 -2.321 0.000) 2.321 8.813 ( 0.000 -1.728 -0.000) 1.728 8.978 ( 0.000 1.654 0.000) 1.654 9.065 ( -0.000 -6.802 0.000) 6.802 9.990 ( 0.000 10.127 0.000) 10.127 10.026 ( -0.000 9.172 0.000) 9.172 10.140 ( -0.000 -1.412 0.000) 1.412 10.175 ( 0.000 -4.315 -0.000) 4.315 10.537 ( -0.000 18.225 0.000) 18.225 10.565 ( 0.000 10.741 0.000) 10.741 10.797 ( 0.000 -3.763 0.000) 3.763 10.849 ( -0.000 -4.533 0.000) 4.533 11.161 ( 0.000 5.326 0.000) 5.326 11.184 ( -0.000 4.862 0.000) 4.862 11.295 ( -0.000 0.103 0.000) 0.103 11.334 ( 0.000 -1.021 -0.000) 1.021 11.706 ( 0.000 -4.164 0.000) 4.164 11.736 ( -0.000 -5.861 -0.000) 5.861 12.004 ( -0.000 -3.652 0.000) 3.652 12.048 ( 0.000 -7.821 0.000) 7.821 12.087 ( -0.000 -3.250 -0.000) 3.250 12.131 ( -0.000 -8.399 0.000) 8.399 12.243 ( 0.000 -4.885 0.000) 4.885 12.245 ( -0.000 -5.066 -0.000) 5.066 12.859 ( 0.000 -0.610 -0.000) 0.610 12.875 ( -0.000 -0.509 0.000) 0.509 13.004 ( 0.000 -0.179 0.000) 0.179 13.035 ( 0.000 -0.288 -0.000) 0.288 13.068 ( -0.000 -3.539 0.000) 3.539 13.094 ( -0.000 -5.609 0.000) 5.609 13.169 ( 0.000 -4.651 0.000) 4.651 13.194 ( 0.000 -6.076 0.000) 6.076 13.464 ( 0.000 -1.846 0.000) 1.846 13.500 ( 0.000 -3.608 0.000) 3.608 13.721 ( 0.000 -4.624 0.000) 4.624 13.735 ( -0.000 -4.510 -0.000) 4.510 13.976 ( -0.000 -4.085 0.000) 4.085 13.977 ( 0.000 -3.586 -0.000) 3.586 14.249 ( -0.000 -1.903 -0.000) 1.903 14.251 ( 0.000 -2.078 0.000) 2.078 17.584 ( -0.000 13.201 0.000) 13.201 17.593 ( 0.000 12.795 -0.000) 12.795 17.778 ( 0.000 -5.818 0.000) 5.818 17.780 ( -0.000 -5.489 -0.000) 5.489 20.318 ( -0.000 20.755 -0.000) 20.755 20.321 ( 0.000 20.879 0.000) 20.879 20.429 ( 0.000 13.435 -0.000) 13.435 20.431 ( -0.000 12.918 0.000) 12.918 20.817 ( 0.000 -9.104 0.000) 9.104 20.827 ( -0.000 -9.546 0.000) 9.546 20.955 ( -0.000 -18.990 -0.000) 18.990 20.961 ( 0.000 -19.097 0.000) 19.097 22.554 ( 0.000 3.525 0.000) 3.525 22.557 ( -0.000 3.225 0.000) 3.225 22.816 ( -0.000 -1.711 0.000) 1.711 22.822 ( 0.000 -2.303 -0.000) 2.303 27.599 ( -0.000 5.921 0.000) 5.921 27.636 ( 0.000 4.419 -0.000) 4.419 27.689 ( -0.000 0.136 0.000) 0.136 27.720 ( 0.000 -0.865 -0.000) 0.865 28.356 ( 0.000 1.277 0.000) 1.277 28.363 ( 0.000 0.672 0.000) 0.672 28.485 ( 0.000 1.243 0.000) 1.243 28.490 ( -0.000 0.798 0.000) 0.798 29.169 ( -0.000 0.434 0.000) 0.434 29.186 ( 0.000 -1.126 -0.000) 1.126 29.209 ( 0.000 -0.517 0.000) 0.517 29.226 ( -0.000 -2.157 0.000) 2.157 29.577 ( -0.000 4.346 -0.000) 4.346 29.593 ( -0.000 4.853 0.000) 4.853 29.616 ( 0.000 2.328 -0.000) 2.328 29.649 ( 0.000 1.460 0.000) 1.460 30.120 ( 0.000 5.130 0.000) 5.130 30.146 ( 0.000 5.591 0.000) 5.591 30.183 ( -0.000 -0.176 0.000) 0.176 30.278 ( -0.000 -6.356 0.000) 6.356 30.361 ( 0.000 1.511 0.000) 1.511 30.382 ( -0.000 -1.728 0.000) 1.728 30.442 ( 0.000 -2.797 0.000) 2.797 30.487 ( -0.000 -6.092 -0.000) 6.092 30.691 ( 0.000 0.798 0.000) 0.798 30.714 ( -0.000 -0.779 0.000) 0.779 30.774 ( -0.000 -4.563 0.000) 4.563 30.780 ( -0.000 -4.465 -0.000) 4.465 31.760 ( 0.000 1.527 0.000) 1.527 31.777 ( -0.000 0.860 0.000) 0.860 31.876 ( -0.000 -6.313 0.000) 6.313 31.892 ( 0.000 -6.868 0.000) 6.868 ======================= Grid point 131 (59/60) ======================= q-point: ( 0.25 0.45 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( -0.285 5.453 6.348) 8.373 1.826 ( -0.652 0.979 2.283) 2.568 1.951 ( -1.383 5.651 -3.570) 6.826 1.986 ( 3.384 0.961 -4.358) 5.601 2.026 ( 0.870 2.539 0.502) 2.731 2.050 ( 0.060 0.287 0.764) 0.819 2.173 ( 1.338 5.101 -1.697) 5.540 2.230 ( -0.321 0.236 -2.006) 2.045 2.255 ( 0.245 3.713 0.207) 3.727 2.292 ( 4.718 1.152 -1.303) 5.028 2.326 ( -0.473 1.099 0.240) 1.220 2.359 ( -0.383 -0.365 0.015) 0.530 2.424 ( 0.168 -1.746 2.443) 3.007 2.494 ( 5.975 -2.731 2.805) 7.143 2.566 ( -3.513 4.256 -1.127) 5.632 2.664 ( -2.325 -3.310 -4.708) 6.207 2.765 ( -1.382 7.144 0.041) 7.276 2.834 ( -2.625 1.498 -0.709) 3.105 2.874 ( 2.037 1.929 0.978) 2.971 2.896 ( 0.770 -0.094 -0.293) 0.829 2.933 ( 7.704 -0.722 0.017) 7.738 2.989 ( 4.157 -3.369 0.426) 5.368 3.108 ( 6.774 6.318 1.209) 9.342 3.219 ( 3.278 -1.865 1.232) 3.968 3.267 ( -0.043 3.282 0.533) 3.325 3.332 ( -1.130 -1.013 -0.436) 1.579 3.395 ( -1.568 1.175 -1.820) 2.674 3.464 ( -2.334 -2.964 2.022) 4.281 3.495 ( -2.458 1.562 -0.205) 2.919 3.525 ( -2.995 -1.141 1.673) 3.615 3.719 ( 0.009 -0.024 -1.646) 1.647 3.739 ( -0.511 -1.554 -0.362) 1.676 4.015 ( 0.700 6.247 3.309) 7.104 4.075 ( 3.231 5.168 0.811) 6.149 4.178 ( -2.910 -1.945 -1.426) 3.780 4.247 ( 2.099 -4.190 0.176) 4.690 4.377 ( 2.777 -0.498 -2.350) 3.672 4.411 ( 5.589 -4.151 -2.135) 7.282 4.620 ( -5.071 5.397 0.530) 7.424 4.698 ( -1.768 -1.673 3.431) 4.207 4.835 ( -5.449 1.903 -3.046) 6.526 4.872 ( -1.223 -1.226 -1.905) 2.575 4.963 ( -0.503 3.787 1.138) 3.986 5.027 ( 1.957 -1.568 4.335) 5.008 5.138 ( 0.140 0.042 1.386) 1.394 5.147 ( -2.485 -2.008 -1.583) 3.566 5.282 ( -4.030 1.483 0.386) 4.311 5.337 ( -2.856 -3.234 -2.639) 5.058 5.652 ( -1.487 5.034 -0.062) 5.250 5.740 ( -2.699 -2.834 2.187) 4.483 5.911 ( -5.058 0.775 0.194) 5.120 5.984 ( -1.885 -3.787 -2.319) 4.825 6.496 ( 1.778 5.136 0.712) 5.482 6.584 ( 0.498 -2.284 -0.441) 2.379 7.206 ( 9.915 13.890 -1.206) 17.109 7.290 ( 4.294 9.725 0.587) 10.647 7.488 ( -1.820 7.322 -0.262) 7.549 7.530 ( 0.836 -1.592 0.579) 1.889 7.817 ( 1.371 -3.009 -0.705) 3.381 7.904 ( 0.846 -8.395 1.293) 8.536 8.034 ( 1.428 13.382 -1.848) 13.584 8.075 ( 3.573 10.330 0.098) 10.930 8.209 ( -2.478 10.585 -1.812) 11.021 8.288 ( -2.603 2.022 4.133) 5.286 8.379 ( 2.467 5.243 3.382) 6.709 8.423 ( 1.120 0.808 1.190) 1.823 8.505 ( 0.977 -0.619 -4.650) 4.792 8.571 ( 2.601 0.678 2.153) 3.444 8.723 ( -5.719 2.510 -1.327) 6.385 8.805 ( -2.572 -1.780 -5.428) 6.265 8.936 ( -2.118 -4.045 4.268) 6.250 9.023 ( -3.907 -10.045 -0.591) 10.794 9.987 ( -0.337 9.039 -0.280) 9.049 10.046 ( 0.859 8.849 0.060) 8.891 10.084 ( -1.696 0.510 2.366) 2.956 10.218 ( 0.417 -4.010 -1.898) 4.456 10.468 ( 0.023 14.380 -0.214) 14.381 10.627 ( -4.562 2.981 0.315) 5.459 10.757 ( 6.282 12.180 -1.103) 13.749 10.929 ( 2.050 -2.103 1.153) 3.155 11.109 ( -1.684 9.968 0.493) 10.121 11.211 ( -3.169 4.132 -0.674) 5.250 11.316 ( 4.817 -3.181 0.175) 5.775 11.378 ( 3.582 -7.617 -0.099) 8.418 11.672 ( -0.903 -4.590 -1.179) 4.824 11.723 ( -2.359 -8.361 0.926) 8.737 11.892 ( -7.159 -3.110 0.185) 7.808 11.920 ( -8.181 -7.456 -0.222) 11.071 12.149 ( 3.878 -2.038 0.870) 4.466 12.202 ( 3.783 -5.317 -1.202) 6.636 12.295 ( 3.326 -6.147 0.741) 7.029 12.300 ( 3.313 -4.729 -0.185) 5.777 12.871 ( 1.338 -1.183 -0.294) 1.810 12.885 ( 0.757 -1.284 -0.679) 1.638 12.985 ( -2.304 -0.997 1.094) 2.738 13.010 ( -0.937 -0.526 0.211) 1.095 13.060 ( -1.942 -4.560 -0.241) 4.962 13.090 ( -0.030 -5.326 -0.170) 5.328 13.167 ( 2.247 -0.220 -0.896) 2.429 13.238 ( 1.304 -7.032 2.141) 7.466 13.457 ( -0.318 -1.999 -0.906) 2.218 13.486 ( -1.096 -3.705 -0.355) 3.880 13.710 ( -0.589 -3.975 0.375) 4.036 13.738 ( -0.152 -5.793 -0.015) 5.795 13.972 ( 0.996 -2.690 -0.244) 2.879 14.005 ( 1.045 -5.575 -0.491) 5.693 14.237 ( -0.514 -1.007 0.648) 1.303 14.252 ( -0.348 -2.533 -0.192) 2.564 17.579 ( -0.081 13.274 1.209) 13.329 17.597 ( -0.020 13.186 -1.308) 13.251 17.773 ( 0.357 -5.794 0.003) 5.805 17.793 ( 0.322 -6.216 0.039) 6.224 20.243 ( -2.090 24.305 0.044) 24.395 20.317 ( -5.018 18.269 -0.003) 18.945 20.431 ( 5.322 16.072 -0.045) 16.930 20.523 ( 2.725 8.646 -0.054) 9.065 20.773 ( -0.756 -9.040 0.020) 9.072 20.876 ( -3.297 -13.385 0.204) 13.786 20.909 ( 3.998 -14.634 -0.135) 15.171 21.015 ( 1.188 -19.453 0.058) 19.489 22.527 ( 0.252 7.681 -0.081) 7.686 22.606 ( 1.582 2.439 0.018) 2.907 22.754 ( -3.525 -1.649 0.037) 3.891 22.811 ( -2.240 -4.757 -0.009) 5.258 27.600 ( 0.028 5.909 0.098) 5.910 27.636 ( -0.025 4.556 -0.015) 4.556 27.688 ( -0.083 0.143 -0.002) 0.166 27.721 ( 0.042 -0.934 -0.048) 0.936 28.355 ( -0.047 1.326 0.161) 1.337 28.362 ( -0.155 0.807 -0.170) 0.839 28.488 ( 0.278 1.054 0.010) 1.090 28.493 ( 0.233 0.623 -0.027) 0.666 29.169 ( 0.046 0.462 -0.097) 0.474 29.186 ( -0.070 -0.936 0.076) 0.942 29.205 ( -0.286 -0.450 0.019) 0.534 29.226 ( -0.006 -2.338 0.001) 2.338 29.564 ( -0.551 4.396 -0.190) 4.434 29.593 ( -0.834 1.993 0.108) 2.163 29.624 ( 1.367 4.964 0.131) 5.150 29.658 ( 0.338 2.064 -0.055) 2.092 30.113 ( -0.550 4.770 0.073) 4.802 30.143 ( -0.384 4.601 -0.120) 4.618 30.180 ( -0.029 0.832 0.005) 0.832 30.277 ( -0.042 -5.492 -0.177) 5.495 30.356 ( -0.152 1.904 0.111) 1.913 30.392 ( -0.287 -1.727 0.300) 1.776 30.437 ( 0.630 -2.459 -0.376) 2.566 30.495 ( 0.316 -7.277 0.044) 7.284 30.696 ( 0.512 0.699 -0.351) 0.935 30.726 ( 0.581 -1.801 0.424) 1.939 30.761 ( -0.537 -3.265 0.786) 3.401 30.782 ( -0.199 -5.405 -0.672) 5.451 31.760 ( 0.029 1.582 -0.042) 1.583 31.778 ( 0.079 0.808 -0.103) 0.819 31.881 ( 0.403 -6.161 -0.513) 6.196 31.898 ( 0.376 -6.880 0.606) 6.917 ======================= Grid point 132 (60/60) ======================= q-point: ( 0.50 0.45 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( 0.000 5.824 0.000) 5.824 1.809 ( -0.000 6.895 -0.000) 6.895 1.924 ( -0.000 4.668 -0.000) 4.668 2.021 ( 0.000 -2.469 0.000) 2.469 2.038 ( -0.000 0.904 -0.001) 0.904 2.040 ( 0.000 1.881 0.001) 1.881 2.193 ( -0.000 3.905 -0.000) 3.905 2.207 ( -0.000 1.251 0.000) 1.251 2.265 ( 0.000 4.420 0.000) 4.420 2.288 ( -0.000 3.792 0.000) 3.792 2.349 ( -0.000 -2.010 -0.000) 2.010 2.358 ( 0.000 -2.623 0.000) 2.623 2.459 ( 0.000 3.396 0.000) 3.396 2.513 ( -0.000 2.806 0.000) 2.806 2.610 ( -0.000 -4.802 -0.000) 4.802 2.622 ( 0.000 -3.470 0.000) 3.470 2.751 ( 0.000 6.031 0.000) 6.031 2.780 ( -0.000 3.767 -0.000) 3.767 2.899 ( -0.000 3.101 0.000) 3.101 2.904 ( -0.000 2.169 -0.000) 2.169 3.061 ( 0.000 0.945 0.000) 0.945 3.080 ( -0.000 0.475 -0.000) 0.475 3.179 ( -0.000 3.095 -0.000) 3.095 3.185 ( 0.000 0.249 0.000) 0.249 3.310 ( 0.000 0.197 -0.000) 0.197 3.318 ( -0.000 -0.900 0.000) 0.900 3.366 ( -0.000 0.746 0.000) 0.746 3.399 ( 0.000 -3.485 -0.000) 3.485 3.467 ( -0.000 -1.305 0.000) 1.305 3.507 ( -0.000 -4.650 0.000) 4.650 3.720 ( -0.000 0.399 -0.000) 0.399 3.735 ( 0.000 -0.916 0.000) 0.916 4.038 ( -0.000 7.417 0.000) 7.417 4.071 ( -0.000 4.816 -0.000) 4.816 4.211 ( 0.000 -3.551 0.000) 3.551 4.222 ( -0.000 -4.855 -0.000) 4.855 4.450 ( -0.000 6.170 0.000) 6.170 4.464 ( 0.000 6.188 -0.000) 6.188 4.594 ( -0.000 -1.614 0.000) 1.614 4.633 ( 0.000 -4.646 -0.000) 4.646 4.787 ( -0.000 1.159 0.000) 1.159 4.829 ( 0.000 -3.060 0.000) 3.060 5.015 ( -0.000 -0.833 -0.000) 0.833 5.045 ( 0.000 -4.156 0.000) 4.156 5.107 ( -0.000 1.487 0.000) 1.487 5.127 ( -0.000 0.936 0.000) 0.936 5.219 ( 0.000 -1.969 0.000) 1.969 5.233 ( -0.000 -2.320 -0.000) 2.320 5.676 ( -0.000 3.281 0.000) 3.281 5.724 ( 0.000 -0.091 -0.000) 0.091 5.869 ( -0.000 -1.247 -0.000) 1.247 5.925 ( -0.000 -5.462 0.000) 5.462 6.559 ( 0.000 3.729 -0.000) 3.729 6.570 ( -0.000 3.269 0.000) 3.269 7.288 ( -0.000 16.300 0.000) 16.300 7.323 ( -0.000 18.558 0.000) 18.558 7.513 ( 0.000 -3.333 -0.000) 3.333 7.537 ( -0.000 0.129 0.000) 0.129 7.848 ( 0.000 -0.474 -0.000) 0.474 7.907 ( -0.000 -5.717 0.000) 5.717 8.052 ( 0.000 13.455 -0.000) 13.455 8.107 ( -0.000 13.912 0.000) 13.912 8.212 ( 0.001 6.954 0.001) 6.954 8.213 ( -0.001 9.592 -0.001) 9.592 8.439 ( -0.000 -4.924 -0.000) 4.924 8.467 ( -0.000 -4.901 0.000) 4.901 8.511 ( 0.000 3.666 -0.000) 3.666 8.575 ( -0.000 4.060 0.000) 4.060 8.662 ( -0.000 0.423 0.000) 0.423 8.748 ( -0.000 -1.178 0.000) 1.178 8.909 ( -0.000 -7.228 -0.000) 7.228 8.977 ( -0.000 -12.799 0.000) 12.799 9.992 ( -0.000 5.231 0.000) 5.231 10.017 ( 0.000 4.361 -0.000) 4.361 10.104 ( 0.000 7.444 -0.000) 7.444 10.203 ( -0.000 0.726 0.000) 0.726 10.513 ( 0.000 9.074 0.000) 9.074 10.538 ( -0.000 8.168 0.000) 8.168 10.883 ( 0.000 8.248 0.000) 8.248 10.906 ( -0.000 5.713 -0.000) 5.713 11.105 ( -0.000 9.685 0.000) 9.685 11.152 ( -0.000 8.274 0.000) 8.274 11.405 ( -0.002 -10.182 0.002) 10.182 11.405 ( 0.002 -13.581 -0.002) 13.581 11.685 ( -0.000 -3.747 0.001) 3.747 11.686 ( 0.000 -5.412 -0.001) 5.412 11.798 ( 0.000 -4.178 0.000) 4.178 11.813 ( -0.000 -7.652 -0.000) 7.652 12.202 ( 0.000 -0.788 0.000) 0.788 12.238 ( -0.000 -5.051 -0.000) 5.051 12.333 ( -0.000 -4.830 -0.000) 4.830 12.335 ( 0.000 -5.390 0.000) 5.390 12.891 ( 0.000 -1.558 -0.000) 1.558 12.904 ( -0.000 -2.240 0.000) 2.240 12.958 ( -0.000 -0.056 -0.000) 0.056 12.973 ( 0.000 -1.743 0.000) 1.743 13.050 ( -0.000 -3.053 0.000) 3.053 13.088 ( 0.000 -6.769 -0.000) 6.769 13.222 ( 0.000 -1.796 -0.000) 1.796 13.225 ( -0.000 -2.631 0.000) 2.631 13.459 ( -0.000 -3.699 0.000) 3.699 13.467 ( 0.000 -3.308 -0.000) 3.308 13.703 ( -0.000 -3.692 0.000) 3.692 13.735 ( -0.000 -6.369 -0.000) 6.369 13.996 ( -0.000 -3.930 0.000) 3.930 14.007 ( 0.000 -4.990 -0.000) 4.990 14.236 ( -0.000 -1.316 0.000) 1.316 14.243 ( -0.000 -1.992 -0.000) 1.992 17.584 ( -0.000 13.473 0.000) 13.473 17.590 ( 0.000 13.306 -0.000) 13.306 17.787 ( -0.000 -6.383 -0.000) 6.383 17.789 ( 0.000 -6.184 0.000) 6.184 20.240 ( 0.000 23.461 -0.000) 23.461 20.246 ( -0.000 23.214 0.000) 23.214 20.509 ( 0.000 10.405 0.000) 10.405 20.527 ( -0.000 9.401 0.000) 9.401 20.794 ( -0.000 -10.639 0.000) 10.639 20.813 ( -0.000 -11.680 0.000) 11.680 20.990 ( 0.000 -16.895 -0.000) 16.895 20.995 ( -0.000 -16.892 0.000) 16.892 22.572 ( -0.000 8.541 -0.000) 8.541 22.573 ( 0.000 8.723 0.000) 8.723 22.748 ( -0.000 -6.108 -0.000) 6.108 22.755 ( 0.000 -6.533 0.000) 6.533 27.600 ( 0.000 5.893 0.000) 5.893 27.636 ( -0.000 4.695 -0.000) 4.695 27.686 ( -0.000 0.150 0.000) 0.150 27.721 ( -0.000 -1.000 -0.000) 1.000 28.355 ( 0.000 1.359 0.000) 1.359 28.359 ( -0.000 0.943 0.000) 0.943 28.492 ( -0.000 0.831 0.000) 0.831 28.496 ( -0.000 0.498 0.000) 0.498 29.170 ( -0.000 0.345 0.000) 0.345 29.184 ( -0.000 -0.477 -0.000) 0.477 29.201 ( -0.000 -0.507 -0.000) 0.507 29.226 ( -0.000 -2.518 0.000) 2.518 29.559 ( 0.000 4.176 -0.000) 4.176 29.582 ( -0.000 2.169 -0.000) 2.169 29.647 ( 0.000 4.190 0.000) 4.190 29.656 ( -0.000 3.337 0.000) 3.337 30.106 ( -0.000 4.328 -0.000) 4.328 30.137 ( -0.000 3.270 0.000) 3.270 30.181 ( -0.000 2.347 0.000) 2.347 30.277 ( -0.000 -4.500 0.000) 4.500 30.358 ( -0.000 2.051 0.000) 2.051 30.379 ( 0.000 -0.979 -0.000) 0.979 30.454 ( -0.000 -4.249 0.000) 4.249 30.496 ( -0.000 -7.133 0.000) 7.133 30.705 ( -0.000 0.194 0.000) 0.194 30.724 ( -0.000 -1.146 0.000) 1.146 30.769 ( -0.000 -5.004 0.000) 5.004 30.770 ( 0.000 -4.520 -0.000) 4.520 31.760 ( -0.000 1.623 0.000) 1.623 31.779 ( -0.000 0.796 0.000) 0.796 31.886 ( -0.000 -6.103 0.000) 6.103 31.903 ( -0.000 -6.826 0.000) 6.826 =================== 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 3/27456 10.0 255.613 199.954 286.833 0.000 18.120 0.000 3/27456 20.0 31.722 32.104 38.929 0.000 0.078 0.000 3/27456 30.0 11.373 13.297 14.253 0.000 -0.166 0.000 3/27456 40.0 6.265 7.870 7.857 0.000 -0.117 0.000 3/27456 50.0 4.209 5.529 5.260 0.000 -0.084 0.000 3/27456 60.0 3.151 4.276 3.919 0.000 -0.064 0.000 3/27456 70.0 2.520 3.512 3.116 0.000 -0.052 0.000 3/27456 80.0 2.103 3.008 2.587 0.000 -0.043 0.000 3/27456 90.0 1.809 2.657 2.214 0.000 -0.037 0.000 3/27456 100.0 1.590 2.403 1.937 0.000 -0.033 0.000 3/27456 110.0 1.421 2.214 1.724 0.000 -0.030 0.000 3/27456 120.0 1.287 2.070 1.554 0.000 -0.027 0.000 3/27456 130.0 1.177 1.958 1.416 0.000 -0.025 0.000 3/27456 140.0 1.085 1.869 1.301 0.000 -0.023 0.000 3/27456 150.0 1.008 1.796 1.205 0.000 -0.022 0.000 3/27456 160.0 0.942 1.736 1.122 0.000 -0.021 0.000 3/27456 170.0 0.884 1.684 1.051 0.000 -0.020 0.000 3/27456 180.0 0.833 1.640 0.989 0.000 -0.019 0.000 3/27456 190.0 0.789 1.600 0.934 0.000 -0.018 0.000 3/27456 200.0 0.749 1.564 0.885 0.000 -0.017 0.000 3/27456 210.0 0.713 1.531 0.842 0.000 -0.016 0.000 3/27456 220.0 0.681 1.500 0.802 0.000 -0.016 0.000 3/27456 230.0 0.652 1.471 0.767 0.000 -0.015 0.000 3/27456 240.0 0.625 1.444 0.735 0.000 -0.015 0.000 3/27456 250.0 0.601 1.418 0.706 0.000 -0.014 0.000 3/27456 260.0 0.579 1.393 0.679 0.000 -0.014 0.000 3/27456 270.0 0.558 1.369 0.655 0.000 -0.013 0.000 3/27456 280.0 0.539 1.346 0.632 0.000 -0.013 0.000 3/27456 290.0 0.521 1.323 0.611 0.000 -0.012 0.000 3/27456 300.0 0.504 1.301 0.592 0.000 -0.012 0.000 3/27456 310.0 0.489 1.280 0.574 0.000 -0.011 0.000 3/27456 320.0 0.474 1.259 0.557 0.000 -0.011 0.000 3/27456 330.0 0.461 1.239 0.541 0.000 -0.011 0.000 3/27456 340.0 0.448 1.220 0.526 0.000 -0.010 0.000 3/27456 350.0 0.436 1.201 0.512 0.000 -0.010 0.000 3/27456 360.0 0.424 1.182 0.499 0.000 -0.010 0.000 3/27456 370.0 0.414 1.164 0.486 0.000 -0.009 0.000 3/27456 380.0 0.403 1.146 0.474 0.000 -0.009 0.000 3/27456 390.0 0.394 1.128 0.463 0.000 -0.009 0.000 3/27456 400.0 0.384 1.111 0.453 0.000 -0.008 0.000 3/27456 410.0 0.376 1.095 0.443 0.000 -0.008 0.000 3/27456 420.0 0.367 1.079 0.433 0.000 -0.008 0.000 3/27456 430.0 0.359 1.063 0.424 0.000 -0.008 0.000 3/27456 440.0 0.352 1.047 0.415 0.000 -0.007 0.000 3/27456 450.0 0.344 1.032 0.407 0.000 -0.007 0.000 3/27456 460.0 0.337 1.017 0.399 0.000 -0.007 0.000 3/27456 470.0 0.330 1.003 0.391 0.000 -0.007 0.000 3/27456 480.0 0.324 0.989 0.383 0.000 -0.007 0.000 3/27456 490.0 0.318 0.975 0.376 0.000 -0.006 0.000 3/27456 500.0 0.312 0.961 0.369 0.000 -0.006 0.000 3/27456 510.0 0.306 0.948 0.363 0.000 -0.006 0.000 3/27456 520.0 0.301 0.935 0.356 0.000 -0.006 0.000 3/27456 530.0 0.295 0.923 0.350 0.000 -0.006 0.000 3/27456 540.0 0.290 0.910 0.344 0.000 -0.006 0.000 3/27456 550.0 0.285 0.898 0.339 0.000 -0.006 0.000 3/27456 560.0 0.280 0.887 0.333 0.000 -0.005 0.000 3/27456 570.0 0.276 0.875 0.328 0.000 -0.005 0.000 3/27456 580.0 0.271 0.864 0.323 0.000 -0.005 0.000 3/27456 590.0 0.267 0.853 0.318 0.000 -0.005 0.000 3/27456 600.0 0.263 0.842 0.313 0.000 -0.005 0.000 3/27456 610.0 0.259 0.831 0.308 0.000 -0.005 0.000 3/27456 620.0 0.255 0.821 0.304 0.000 -0.005 0.000 3/27456 630.0 0.251 0.811 0.299 0.000 -0.005 0.000 3/27456 640.0 0.247 0.801 0.295 0.000 -0.005 0.000 3/27456 650.0 0.243 0.791 0.291 0.000 -0.004 0.000 3/27456 660.0 0.240 0.782 0.287 0.000 -0.004 0.000 3/27456 670.0 0.237 0.773 0.283 0.000 -0.004 0.000 3/27456 680.0 0.233 0.764 0.279 0.000 -0.004 0.000 3/27456 690.0 0.230 0.755 0.275 0.000 -0.004 0.000 3/27456 700.0 0.227 0.746 0.271 0.000 -0.004 0.000 3/27456 710.0 0.224 0.737 0.268 0.000 -0.004 0.000 3/27456 720.0 0.221 0.729 0.264 0.000 -0.004 0.000 3/27456 730.0 0.218 0.721 0.261 0.000 -0.004 0.000 3/27456 740.0 0.215 0.713 0.258 0.000 -0.004 0.000 3/27456 750.0 0.212 0.705 0.255 0.000 -0.004 0.000 3/27456 760.0 0.210 0.697 0.251 0.000 -0.004 0.000 3/27456 770.0 0.207 0.690 0.248 0.000 -0.004 0.000 3/27456 780.0 0.205 0.682 0.245 0.000 -0.004 0.000 3/27456 790.0 0.202 0.675 0.242 0.000 -0.003 0.000 3/27456 800.0 0.200 0.668 0.240 0.000 -0.003 0.000 3/27456 810.0 0.197 0.661 0.237 0.000 -0.003 0.000 3/27456 820.0 0.195 0.654 0.234 0.000 -0.003 0.000 3/27456 830.0 0.193 0.647 0.231 0.000 -0.003 0.000 3/27456 840.0 0.190 0.641 0.229 0.000 -0.003 0.000 3/27456 850.0 0.188 0.634 0.226 0.000 -0.003 0.000 3/27456 860.0 0.186 0.628 0.224 0.000 -0.003 0.000 3/27456 870.0 0.184 0.622 0.221 0.000 -0.003 0.000 3/27456 880.0 0.182 0.616 0.219 0.000 -0.003 0.000 3/27456 890.0 0.180 0.610 0.217 0.000 -0.003 0.000 3/27456 900.0 0.178 0.604 0.214 0.000 -0.003 0.000 3/27456 910.0 0.176 0.598 0.212 0.000 -0.003 0.000 3/27456 920.0 0.174 0.592 0.210 0.000 -0.003 0.000 3/27456 930.0 0.173 0.587 0.208 0.000 -0.003 0.000 3/27456 940.0 0.171 0.581 0.206 0.000 -0.003 0.000 3/27456 950.0 0.169 0.576 0.204 0.000 -0.003 0.000 3/27456 960.0 0.167 0.570 0.202 0.000 -0.003 0.000 3/27456 970.0 0.166 0.565 0.200 0.000 -0.003 0.000 3/27456 980.0 0.164 0.560 0.198 0.000 -0.003 0.000 3/27456 990.0 0.163 0.555 0.196 0.000 -0.003 0.000 3/27456 1000.0 0.161 0.550 0.194 0.000 -0.003 0.000 3/27456 Thermal conductivity related properties were written into "kappa-m4114.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:38:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|