----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 01:00:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.895881051052645 0.000000000000000 0.000000000000000 b 0.000000000000000 9.630779419999998 0.000000000000000 c -0.309576891954333 0.000000000000000 10.815808382491630 Atomic positions (fractional): *1 Lu 0.68684712151534 0.75000000000000 0.51791888013732 174.967 *2 Lu 0.82571199706740 0.75000000000000 0.03749881810695 174.967 3 Lu 0.17428800293260 0.25000000000000 0.96250118189305 174.967 4 Lu 0.31315287848466 0.25000000000000 0.48208111986268 174.967 *5 P 0.67630885738485 0.53671604878277 0.78412811519340 30.974 6 P 0.67630885738485 0.96328395121723 0.78412811519340 30.974 *7 P 0.68869339512595 0.25000000000000 0.87494198777380 30.974 *8 P 0.73486481049566 0.51249675899030 0.26765217299258 30.974 9 P 0.73486481049566 0.98750324100970 0.26765217299258 30.974 *10 P 0.82525715699514 0.25000000000000 0.39959769944464 30.974 11 P 0.17474284300487 0.75000000000000 0.60040230055536 30.974 12 P 0.26513518950434 0.01249675899030 0.73234782700742 30.974 13 P 0.26513518950434 0.48750324100970 0.73234782700742 30.974 14 P 0.31130660487405 0.75000000000000 0.12505801222620 30.974 15 P 0.32369114261515 0.03671604878277 0.21587188480660 30.974 16 P 0.32369114261515 0.46328395121723 0.21587188480660 30.974 *17 O 0.51160748453341 0.75000000000000 0.07488526884839 15.999 *18 O 0.55168503865304 0.05142037633610 0.19245738359734 15.999 19 O 0.55168503865304 0.44857962366390 0.19245738359734 15.999 *20 O 0.62410843717115 0.25000000000000 0.44809849497975 15.999 *21 O 0.66920615348736 0.91182926015455 0.38001872520895 15.999 22 O 0.66920615348736 0.58817073984545 0.38001872520895 15.999 *23 O 0.71015920689644 0.12672585001257 0.77662052249657 15.999 24 O 0.71015920689644 0.37327414998743 0.77662052249657 15.999 *25 O 0.72064880022320 0.90616320156612 0.65995460770992 15.999 26 O 0.72064880022320 0.59383679843388 0.65995460770992 15.999 *27 O 0.77631345939309 0.59572897685215 0.89654030327459 15.999 28 O 0.77631345939309 0.90427102314785 0.89654030327459 15.999 *29 O 0.85352597706190 0.12334706956331 0.30528841283732 15.999 30 O 0.85352597706190 0.37665293043669 0.30528841283732 15.999 *31 O 0.85405882259702 0.58974762788629 0.17736952199497 15.999 32 O 0.85405882259702 0.91025237211371 0.17736952199497 15.999 *33 O 0.85880263485372 0.25000000000000 0.96428921675477 15.999 *34 O 0.99590056088799 0.25000000000000 0.48790013684681 15.999 35 O 0.00409943911201 0.75000000000000 0.51209986315319 15.999 36 O 0.14119736514628 0.75000000000000 0.03571078324523 15.999 37 O 0.14594117740298 0.08974762788629 0.82263047800503 15.999 38 O 0.14594117740298 0.41025237211371 0.82263047800503 15.999 39 O 0.14647402293810 0.62334706956331 0.69471158716268 15.999 40 O 0.14647402293810 0.87665293043669 0.69471158716268 15.999 41 O 0.22368654060692 0.09572897685215 0.10345969672541 15.999 42 O 0.22368654060692 0.40427102314785 0.10345969672541 15.999 43 O 0.27935119977680 0.09383679843388 0.34004539229008 15.999 44 O 0.27935119977680 0.40616320156612 0.34004539229008 15.999 45 O 0.28984079310356 0.62672585001257 0.22337947750343 15.999 46 O 0.28984079310356 0.87327414998743 0.22337947750343 15.999 47 O 0.33079384651264 0.08817073984545 0.61998127479105 15.999 48 O 0.33079384651264 0.41182926015455 0.61998127479105 15.999 49 O 0.37589156282885 0.75000000000000 0.55190150502025 15.999 50 O 0.44831496134696 0.55142037633610 0.80754261640266 15.999 51 O 0.44831496134696 0.94857962366390 0.80754261640266 15.999 52 O 0.48839251546659 0.25000000000000 0.92511473115161 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.895881051052645 0.000000000000000 0.000000000000000 b 0.000000000000000 9.630779419999998 0.000000000000000 c -0.309576891954333 0.000000000000000 10.815808382491630 Atomic positions (fractional): *1 Lu 0.68684712151534 0.75000000000000 0.51791888013732 174.967 > 1 *2 Lu 0.82571199706740 0.75000000000000 0.03749881810695 174.967 > 2 3 Lu 0.17428800293260 0.25000000000000 0.96250118189305 174.967 > 3 4 Lu 0.31315287848466 0.25000000000000 0.48208111986268 174.967 > 4 *5 P 0.67630885738485 0.53671604878277 0.78412811519340 30.974 > 5 6 P 0.67630885738485 0.96328395121723 0.78412811519340 30.974 > 6 *7 P 0.68869339512595 0.25000000000000 0.87494198777380 30.974 > 7 *8 P 0.73486481049566 0.51249675899030 0.26765217299258 30.974 > 8 9 P 0.73486481049566 0.98750324100970 0.26765217299258 30.974 > 9 *10 P 0.82525715699514 0.25000000000000 0.39959769944464 30.974 > 10 11 P 0.17474284300487 0.75000000000000 0.60040230055536 30.974 > 11 12 P 0.26513518950434 0.01249675899030 0.73234782700742 30.974 > 12 13 P 0.26513518950434 0.48750324100970 0.73234782700742 30.974 > 13 14 P 0.31130660487405 0.75000000000000 0.12505801222620 30.974 > 14 15 P 0.32369114261515 0.03671604878277 0.21587188480660 30.974 > 15 16 P 0.32369114261515 0.46328395121723 0.21587188480660 30.974 > 16 *17 O 0.51160748453341 0.75000000000000 0.07488526884839 15.999 > 17 *18 O 0.55168503865304 0.05142037633610 0.19245738359734 15.999 > 18 19 O 0.55168503865304 0.44857962366390 0.19245738359734 15.999 > 19 *20 O 0.62410843717115 0.25000000000000 0.44809849497975 15.999 > 20 *21 O 0.66920615348736 0.91182926015455 0.38001872520895 15.999 > 21 22 O 0.66920615348736 0.58817073984545 0.38001872520895 15.999 > 22 *23 O 0.71015920689644 0.12672585001257 0.77662052249657 15.999 > 23 24 O 0.71015920689644 0.37327414998743 0.77662052249657 15.999 > 24 *25 O 0.72064880022320 0.90616320156612 0.65995460770992 15.999 > 25 26 O 0.72064880022320 0.59383679843388 0.65995460770992 15.999 > 26 *27 O 0.77631345939309 0.59572897685215 0.89654030327459 15.999 > 27 28 O 0.77631345939309 0.90427102314785 0.89654030327459 15.999 > 28 *29 O 0.85352597706190 0.12334706956331 0.30528841283732 15.999 > 29 30 O 0.85352597706190 0.37665293043669 0.30528841283732 15.999 > 30 *31 O 0.85405882259702 0.58974762788629 0.17736952199497 15.999 > 31 32 O 0.85405882259702 0.91025237211371 0.17736952199497 15.999 > 32 *33 O 0.85880263485372 0.25000000000000 0.96428921675477 15.999 > 33 *34 O 0.99590056088799 0.25000000000000 0.48790013684681 15.999 > 34 35 O 0.00409943911201 0.75000000000000 0.51209986315319 15.999 > 35 36 O 0.14119736514628 0.75000000000000 0.03571078324523 15.999 > 36 37 O 0.14594117740298 0.08974762788629 0.82263047800503 15.999 > 37 38 O 0.14594117740298 0.41025237211371 0.82263047800503 15.999 > 38 39 O 0.14647402293810 0.62334706956331 0.69471158716268 15.999 > 39 40 O 0.14647402293810 0.87665293043669 0.69471158716268 15.999 > 40 41 O 0.22368654060692 0.09572897685215 0.10345969672541 15.999 > 41 42 O 0.22368654060692 0.40427102314785 0.10345969672541 15.999 > 42 43 O 0.27935119977680 0.09383679843388 0.34004539229008 15.999 > 43 44 O 0.27935119977680 0.40616320156612 0.34004539229008 15.999 > 44 45 O 0.28984079310356 0.62672585001257 0.22337947750343 15.999 > 45 46 O 0.28984079310356 0.87327414998743 0.22337947750343 15.999 > 46 47 O 0.33079384651264 0.08817073984545 0.61998127479105 15.999 > 47 48 O 0.33079384651264 0.41182926015455 0.61998127479105 15.999 > 48 49 O 0.37589156282885 0.75000000000000 0.55190150502025 15.999 > 49 50 O 0.44831496134696 0.55142037633610 0.80754261640266 15.999 > 50 51 O 0.44831496134696 0.94857962366390 0.80754261640266 15.999 > 51 52 O 0.48839251546659 0.25000000000000 0.92511473115161 15.999 > 52 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.791762102105290 0.000000000000000 0.000000000000000 b 0.000000000000000 9.630779419999998 0.000000000000000 c -0.309576891954333 0.000000000000000 10.815808382491630 Atomic positions (fractional): *1 Lu 0.34342356075767 0.75000000000000 0.51791888013732 174.967 > 1 2 Lu 0.84342356075767 0.75000000000000 0.51791888013732 174.967 > 1 *3 Lu 0.41285599853370 0.75000000000000 0.03749881810695 174.967 > 2 4 Lu 0.91285599853370 0.75000000000000 0.03749881810695 174.967 > 2 5 Lu 0.08714400146630 0.25000000000000 0.96250118189305 174.967 > 3 6 Lu 0.58714400146630 0.25000000000000 0.96250118189305 174.967 > 3 7 Lu 0.15657643924233 0.25000000000000 0.48208111986268 174.967 > 4 8 Lu 0.65657643924233 0.25000000000000 0.48208111986268 174.967 > 4 *9 P 0.33815442869242 0.53671604878277 0.78412811519340 30.974 > 5 10 P 0.83815442869242 0.53671604878277 0.78412811519340 30.974 > 5 11 P 0.33815442869242 0.96328395121723 0.78412811519340 30.974 > 6 12 P 0.83815442869242 0.96328395121723 0.78412811519340 30.974 > 6 *13 P 0.34434669756297 0.25000000000000 0.87494198777380 30.974 > 7 14 P 0.84434669756297 0.25000000000000 0.87494198777380 30.974 > 7 *15 P 0.36743240524783 0.51249675899030 0.26765217299258 30.974 > 8 16 P 0.86743240524783 0.51249675899030 0.26765217299258 30.974 > 8 17 P 0.36743240524783 0.98750324100970 0.26765217299258 30.974 > 9 18 P 0.86743240524783 0.98750324100970 0.26765217299258 30.974 > 9 *19 P 0.41262857849757 0.25000000000000 0.39959769944464 30.974 > 10 20 P 0.91262857849757 0.25000000000000 0.39959769944464 30.974 > 10 21 P 0.08737142150243 0.75000000000000 0.60040230055536 30.974 > 11 22 P 0.58737142150243 0.75000000000000 0.60040230055536 30.974 > 11 23 P 0.13256759475217 0.01249675899030 0.73234782700742 30.974 > 12 24 P 0.63256759475217 0.01249675899030 0.73234782700742 30.974 > 12 25 P 0.13256759475217 0.48750324100970 0.73234782700742 30.974 > 13 26 P 0.63256759475217 0.48750324100970 0.73234782700742 30.974 > 13 27 P 0.15565330243702 0.75000000000000 0.12505801222620 30.974 > 14 28 P 0.65565330243703 0.75000000000000 0.12505801222620 30.974 > 14 29 P 0.16184557130758 0.03671604878277 0.21587188480660 30.974 > 15 30 P 0.66184557130758 0.03671604878277 0.21587188480660 30.974 > 15 31 P 0.16184557130758 0.46328395121723 0.21587188480660 30.974 > 16 32 P 0.66184557130758 0.46328395121723 0.21587188480660 30.974 > 16 *33 O 0.25580374226670 0.75000000000000 0.07488526884839 15.999 > 17 34 O 0.75580374226670 0.75000000000000 0.07488526884839 15.999 > 17 *35 O 0.27584251932652 0.05142037633610 0.19245738359734 15.999 > 18 36 O 0.77584251932652 0.05142037633610 0.19245738359734 15.999 > 18 37 O 0.27584251932652 0.44857962366390 0.19245738359734 15.999 > 19 38 O 0.77584251932652 0.44857962366390 0.19245738359734 15.999 > 19 *39 O 0.31205421858557 0.25000000000000 0.44809849497975 15.999 > 20 40 O 0.81205421858557 0.25000000000000 0.44809849497975 15.999 > 20 *41 O 0.33460307674368 0.91182926015455 0.38001872520895 15.999 > 21 42 O 0.83460307674368 0.91182926015455 0.38001872520895 15.999 > 21 43 O 0.33460307674368 0.58817073984545 0.38001872520895 15.999 > 22 44 O 0.83460307674368 0.58817073984545 0.38001872520895 15.999 > 22 *45 O 0.35507960344822 0.12672585001257 0.77662052249657 15.999 > 23 46 O 0.85507960344822 0.12672585001257 0.77662052249657 15.999 > 23 47 O 0.35507960344822 0.37327414998743 0.77662052249657 15.999 > 24 48 O 0.85507960344822 0.37327414998743 0.77662052249657 15.999 > 24 *49 O 0.36032440011160 0.90616320156612 0.65995460770992 15.999 > 25 50 O 0.86032440011160 0.90616320156612 0.65995460770992 15.999 > 25 51 O 0.36032440011160 0.59383679843388 0.65995460770992 15.999 > 26 52 O 0.86032440011160 0.59383679843388 0.65995460770992 15.999 > 26 *53 O 0.38815672969654 0.59572897685215 0.89654030327459 15.999 > 27 54 O 0.88815672969654 0.59572897685215 0.89654030327459 15.999 > 27 55 O 0.38815672969654 0.90427102314785 0.89654030327459 15.999 > 28 56 O 0.88815672969654 0.90427102314785 0.89654030327459 15.999 > 28 *57 O 0.42676298853095 0.12334706956331 0.30528841283732 15.999 > 29 58 O 0.92676298853095 0.12334706956331 0.30528841283732 15.999 > 29 59 O 0.42676298853095 0.37665293043669 0.30528841283732 15.999 > 30 60 O 0.92676298853095 0.37665293043669 0.30528841283732 15.999 > 30 *61 O 0.42702941129851 0.58974762788629 0.17736952199497 15.999 > 31 62 O 0.92702941129851 0.58974762788629 0.17736952199497 15.999 > 31 63 O 0.42702941129851 0.91025237211371 0.17736952199497 15.999 > 32 64 O 0.92702941129851 0.91025237211371 0.17736952199497 15.999 > 32 *65 O 0.42940131742686 0.25000000000000 0.96428921675477 15.999 > 33 66 O 0.92940131742686 0.25000000000000 0.96428921675477 15.999 > 33 *67 O 0.49795028044400 0.25000000000000 0.48790013684681 15.999 > 34 68 O 0.99795028044400 0.25000000000000 0.48790013684681 15.999 > 34 69 O 0.00204971955600 0.75000000000000 0.51209986315319 15.999 > 35 70 O 0.50204971955600 0.75000000000000 0.51209986315319 15.999 > 35 71 O 0.07059868257314 0.75000000000000 0.03571078324523 15.999 > 36 72 O 0.57059868257314 0.75000000000000 0.03571078324523 15.999 > 36 73 O 0.07297058870149 0.08974762788629 0.82263047800503 15.999 > 37 74 O 0.57297058870149 0.08974762788629 0.82263047800503 15.999 > 37 75 O 0.07297058870149 0.41025237211371 0.82263047800503 15.999 > 38 76 O 0.57297058870149 0.41025237211371 0.82263047800503 15.999 > 38 77 O 0.07323701146905 0.62334706956331 0.69471158716268 15.999 > 39 78 O 0.57323701146905 0.62334706956331 0.69471158716268 15.999 > 39 79 O 0.07323701146905 0.87665293043669 0.69471158716268 15.999 > 40 80 O 0.57323701146905 0.87665293043669 0.69471158716268 15.999 > 40 81 O 0.11184327030346 0.09572897685215 0.10345969672541 15.999 > 41 82 O 0.61184327030346 0.09572897685215 0.10345969672541 15.999 > 41 83 O 0.11184327030346 0.40427102314785 0.10345969672541 15.999 > 42 84 O 0.61184327030346 0.40427102314785 0.10345969672541 15.999 > 42 85 O 0.13967559988840 0.09383679843388 0.34004539229008 15.999 > 43 86 O 0.63967559988840 0.09383679843388 0.34004539229008 15.999 > 43 87 O 0.13967559988840 0.40616320156612 0.34004539229008 15.999 > 44 88 O 0.63967559988840 0.40616320156612 0.34004539229008 15.999 > 44 89 O 0.14492039655178 0.62672585001257 0.22337947750343 15.999 > 45 90 O 0.64492039655178 0.62672585001257 0.22337947750343 15.999 > 45 91 O 0.14492039655178 0.87327414998743 0.22337947750343 15.999 > 46 92 O 0.64492039655178 0.87327414998743 0.22337947750343 15.999 > 46 93 O 0.16539692325632 0.08817073984545 0.61998127479105 15.999 > 47 94 O 0.66539692325632 0.08817073984545 0.61998127479105 15.999 > 47 95 O 0.16539692325632 0.41182926015455 0.61998127479105 15.999 > 48 96 O 0.66539692325632 0.41182926015455 0.61998127479105 15.999 > 48 97 O 0.18794578141443 0.75000000000000 0.55190150502025 15.999 > 49 98 O 0.68794578141443 0.75000000000000 0.55190150502025 15.999 > 49 99 O 0.22415748067348 0.55142037633610 0.80754261640266 15.999 > 50 100 O 0.72415748067348 0.55142037633610 0.80754261640266 15.999 > 50 101 O 0.22415748067348 0.94857962366390 0.80754261640266 15.999 > 51 102 O 0.72415748067348 0.94857962366390 0.80754261640266 15.999 > 51 103 O 0.24419625773330 0.25000000000000 0.92511473115161 15.999 > 52 104 O 0.74419625773330 0.25000000000000 0.92511473115161 15.999 > 52 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5978719 0.0000000 0.0429100 0.0000000 2.6248564 0.0000000 0.0429094 0.0000000 2.5872566 -------------------------- Born effective charges -------------------------- 1 Lu 3.9463517 0.0000000 -0.3033666 0.0000000 3.9019132 0.0000000 0.1861260 0.0000000 4.4589373 2 Lu 4.0460962 0.0000000 -0.0772344 0.0000000 3.8535929 0.0000000 0.3443900 0.0000000 4.3609235 3 Lu 4.0460962 0.0000000 -0.0772344 0.0000000 3.8535929 0.0000000 0.3443900 0.0000000 4.3609235 4 Lu 3.9463517 0.0000000 -0.3033666 0.0000000 3.9019132 0.0000000 0.1861260 0.0000000 4.4589373 5 P 3.4666762 -0.0396334 -0.0406563 0.4767509 3.8796776 -0.0591648 0.6132379 -0.3521735 3.4160270 6 P 3.4666762 0.0396334 -0.0406563 -0.4767509 3.8796776 0.0591648 0.6132379 0.3521735 3.4160270 7 P 3.7895717 0.0000000 0.5320144 0.0000000 4.0824840 0.0000000 -0.0254155 0.0000000 2.8930611 8 P 3.3353372 0.1524244 0.3241058 -0.3297514 3.9264961 -0.1922672 -0.1892496 -0.2297898 3.5067772 9 P 3.3353372 -0.1524244 0.3241058 0.3297514 3.9264961 0.1922672 -0.1892496 0.2297898 3.5067772 10 P 3.8373173 0.0000000 0.7520056 0.0000000 4.0284764 0.0000000 -0.1127939 0.0000000 3.0004536 11 P 3.8373173 0.0000000 0.7520056 0.0000000 4.0284764 0.0000000 -0.1127939 0.0000000 3.0004536 12 P 3.3353372 -0.1524244 0.3241058 0.3297514 3.9264961 0.1922672 -0.1892496 0.2297898 3.5067772 13 P 3.3353372 0.1524244 0.3241058 -0.3297514 3.9264961 -0.1922672 -0.1892496 -0.2297898 3.5067772 14 P 3.7895717 0.0000000 0.5320144 0.0000000 4.0824840 0.0000000 -0.0254155 0.0000000 2.8930611 15 P 3.4666762 0.0396334 -0.0406563 -0.4767509 3.8796776 0.0591648 0.6132379 0.3521735 3.4160270 16 P 3.4666762 -0.0396334 -0.0406563 0.4767509 3.8796776 -0.0591648 0.6132379 -0.3521735 3.4160270 17 O -2.5873277 0.0000000 0.3535005 0.0000000 -1.1001037 0.0000000 0.4798534 0.0000000 -1.0766283 18 O -2.6659508 0.3443632 -0.3632831 0.3191757 -1.0725650 0.1170102 -0.5255456 0.1188227 -1.1217663 19 O -2.6659508 -0.3443632 -0.3632831 -0.3191757 -1.0725650 -0.1170102 -0.5255456 -0.1188227 -1.1217663 20 O -2.6877575 0.0000000 0.3588855 0.0000000 -1.0677435 0.0000000 0.5170523 0.0000000 -1.0813605 21 O -0.9647731 -0.0145088 0.0561993 -0.1606657 -1.8096594 0.9009370 0.1826272 0.9525666 -2.2078425 22 O -0.9647731 0.0145088 0.0561993 0.1606657 -1.8096594 -0.9009370 0.1826272 -0.9525666 -2.2078425 23 O -0.9783344 -0.2100500 -0.0806182 0.0086722 -3.0150488 -0.7489129 -0.0558436 -0.6601026 -1.1320054 24 O -0.9783344 0.2100500 -0.0806182 -0.0086722 -3.0150488 0.7489129 -0.0558436 0.6601026 -1.1320054 25 O -1.0702639 0.1211563 0.2477663 0.1417834 -1.6027234 -0.9155959 0.0187460 -0.8025707 -2.1989297 26 O -1.0702639 -0.1211563 0.2477663 -0.1417834 -1.6027234 0.9155959 0.0187460 0.8025707 -2.1989297 27 O -1.1110816 -0.2306489 -0.3898215 -0.3667173 -1.6833517 -0.8568217 -0.5037993 -0.8176710 -2.2227455 28 O -1.1110816 0.2306489 -0.3898215 0.3667173 -1.6833517 0.8568217 -0.5037993 0.8176710 -2.2227455 29 O -1.1718605 -0.4873680 -0.2698592 -0.4338744 -2.7354242 -1.0699140 -0.0765081 -0.8341631 -1.2803056 30 O -1.1718605 0.4873680 -0.2698592 0.4338744 -2.7354242 1.0699140 -0.0765081 0.8341631 -1.2803056 31 O -1.2635255 -0.2212669 0.3054678 -0.2207380 -1.7205928 0.8398517 0.3668980 0.7951375 -1.8585118 32 O -1.2635255 0.2212669 0.3054678 0.2207380 -1.7205928 -0.8398517 0.3668980 -0.7951375 -1.8585118 33 O -2.7700737 0.0000000 -0.5740322 0.0000000 -1.0330378 0.0000000 -0.5374706 0.0000000 -1.1660233 34 O -2.7266256 0.0000000 -0.6203749 0.0000000 -0.9991982 0.0000000 -0.5128674 0.0000000 -1.1907583 35 O -2.7266256 0.0000000 -0.6203749 0.0000000 -0.9991982 0.0000000 -0.5128674 0.0000000 -1.1907583 36 O -2.7700737 0.0000000 -0.5740322 0.0000000 -1.0330378 0.0000000 -0.5374706 0.0000000 -1.1660233 37 O -1.2635255 0.2212669 0.3054678 0.2207380 -1.7205928 -0.8398517 0.3668980 -0.7951375 -1.8585118 38 O -1.2635255 -0.2212669 0.3054678 -0.2207380 -1.7205928 0.8398517 0.3668980 0.7951375 -1.8585118 39 O -1.1718605 0.4873680 -0.2698592 0.4338744 -2.7354242 1.0699140 -0.0765081 0.8341631 -1.2803056 40 O -1.1718605 -0.4873680 -0.2698592 -0.4338744 -2.7354242 -1.0699140 -0.0765081 -0.8341631 -1.2803056 41 O -1.1110816 0.2306489 -0.3898215 0.3667173 -1.6833517 0.8568217 -0.5037993 0.8176710 -2.2227455 42 O -1.1110816 -0.2306489 -0.3898215 -0.3667173 -1.6833517 -0.8568217 -0.5037993 -0.8176710 -2.2227455 43 O -1.0702639 0.1211563 0.2477663 0.1417834 -1.6027234 -0.9155959 0.0187460 -0.8025707 -2.1989297 44 O -1.0702639 -0.1211563 0.2477663 -0.1417834 -1.6027234 0.9155959 0.0187460 0.8025707 -2.1989297 45 O -0.9783344 0.2100500 -0.0806182 -0.0086722 -3.0150488 0.7489129 -0.0558436 0.6601026 -1.1320054 46 O -0.9783344 -0.2100500 -0.0806182 0.0086722 -3.0150488 -0.7489129 -0.0558436 -0.6601026 -1.1320054 47 O -0.9647731 -0.0145088 0.0561993 -0.1606657 -1.8096594 0.9009370 0.1826272 0.9525666 -2.2078425 48 O -0.9647731 0.0145088 0.0561993 0.1606657 -1.8096594 -0.9009370 0.1826272 -0.9525666 -2.2078425 49 O -2.6877575 0.0000000 0.3588855 0.0000000 -1.0677435 0.0000000 0.5170523 0.0000000 -1.0813605 50 O -2.6659508 -0.3443632 -0.3632831 -0.3191757 -1.0725650 -0.1170102 -0.5255456 -0.1188227 -1.1217663 51 O -2.6659508 0.3443632 -0.3632831 0.3191757 -1.0725650 0.1170102 -0.5255456 0.1188227 -1.1217663 52 O -2.5873277 0.0000000 0.3535005 0.0000000 -1.1001037 0.0000000 0.4798534 0.0000000 -1.0766283 ---------------------------------------------------------------------------- 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: 6304 Number of blocks in projector: 6304 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: 1480 Use submatrix version of eigh solver. (1) Block: 500 / 1480 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 219 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1000 / 1480 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1480 / 1480 (1) 461 eigenvectors found. (1) Complementary block size: 81 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1224 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1224 / 1224 (1) 208 eigenvectors found. (1) Complementary block size: 52 (1) Compute compressed projector. (1) Use standard solver. (1) 34 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1224 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1224 / 1224 (1) 208 eigenvectors found. (1) Complementary block size: 52 (1) Compute compressed projector. (1) Use standard solver. (1) 34 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 792 Use submatrix version of eigh solver. (1) Block: 500 / 792 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 792 / 792 (1) 279 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 792 Use submatrix version of eigh solver. (1) Block: 500 / 792 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 792 / 792 (1) 279 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 792 Use submatrix version of eigh solver. (1) Block: 500 / 792 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 792 / 792 (1) 279 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. Tree of FC basis block matrices: - (6304, 6184), data: False |-- (792, 775), data: False |-- (792, 13), data: (792, 30) @ (30, 13) |-- (292, 279), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (792, 775), data: False |-- (792, 13), data: (792, 30) @ (30, 13) |-- (292, 279), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (792, 775), data: False |-- (792, 13), data: (792, 30) @ (30, 13) |-- (292, 279), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (1224, 1206), data: False |-- (1224, 34), data: (1224, 52) @ (52, 34) |-- (224, 208), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 232), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1224, 1206), data: False |-- (1224, 34), data: (1224, 52) @ (52, 34) |-- (224, 208), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 232), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1480, 1447), data: False |-- (1480, 48), data: (1480, 81) @ (81, 48) |-- (480, 461), data: True |-- (500, 471), data: False |-- (500, 25), data: (500, 54) @ (54, 25) |-- (250, 225), data: True |-- (250, 221), data: True |-- (500, 467), data: False |-- (500, 13), data: (500, 46) @ (46, 13) |-- (250, 219), data: True |-- (250, 235), data: True ----- Solver_atoms: 1 -- 104 / 104 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1600 - Time: 1.468 Solver_block: 200 / 1600 - Time: 1.248 Solver_block: 300 / 1600 - Time: 1.256 Solver_block: 400 / 1600 - Time: 1.258 Solver_block: 500 / 1600 - Time: 1.254 Solver_block: 600 / 1600 - Time: 1.257 Solver_block: 700 / 1600 - Time: 1.259 Solver_block: 800 / 1600 - Time: 1.255 Solver_block: 900 / 1600 - Time: 1.256 Solver_block: 1000 / 1600 - Time: 1.245 Solver_block: 1100 / 1600 - Time: 1.258 Solver_block: 1200 / 1600 - Time: 1.259 Solver_block: 1300 / 1600 - Time: 1.254 Solver_block: 1400 / 1600 - Time: 1.257 Solver_block: 1500 / 1600 - Time: 1.249 Solver_block: 1600 / 1600 - Time: 1.252 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 20.933 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) 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: 6304 Number of blocks in projector: 6304 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: 1480 Use submatrix version of eigh solver. (1) Block: 500 / 1480 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 219 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1000 / 1480 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1480 / 1480 (1) 461 eigenvectors found. (1) Complementary block size: 81 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1224 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1224 / 1224 (1) 208 eigenvectors found. (1) Complementary block size: 52 (1) Compute compressed projector. (1) Use standard solver. (1) 34 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1224 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1224 / 1224 (1) 208 eigenvectors found. (1) Complementary block size: 52 (1) Compute compressed projector. (1) Use standard solver. (1) 34 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 792 Use submatrix version of eigh solver. (1) Block: 500 / 792 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 792 / 792 (1) 279 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 792 Use submatrix version of eigh solver. (1) Block: 500 / 792 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 792 / 792 (1) 279 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 792 Use submatrix version of eigh solver. (1) Block: 500 / 792 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 792 / 792 (1) 279 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. Tree of FC basis block matrices: - (6304, 6184), data: False |-- (792, 775), data: False |-- (792, 13), data: (792, 30) @ (30, 13) |-- (292, 279), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (792, 775), data: False |-- (792, 13), data: (792, 30) @ (30, 13) |-- (292, 279), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (792, 775), data: False |-- (792, 13), data: (792, 30) @ (30, 13) |-- (292, 279), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (1224, 1206), data: False |-- (1224, 34), data: (1224, 52) @ (52, 34) |-- (224, 208), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 232), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1224, 1206), data: False |-- (1224, 34), data: (1224, 52) @ (52, 34) |-- (224, 208), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 232), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1480, 1447), data: False |-- (1480, 48), data: (1480, 81) @ (81, 48) |-- (480, 461), data: True |-- (500, 471), data: False |-- (500, 25), data: (500, 54) @ (54, 25) |-- (250, 225), data: True |-- (250, 221), data: True |-- (500, 467), data: False |-- (500, 13), data: (500, 46) @ (46, 13) |-- (250, 219), data: True |-- (250, 235), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 01:01:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:01:44]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.895881051052645 0.000000000000000 0.000000000000000 b 0.000000000000000 9.630779419999998 0.000000000000000 c -0.309576891954333 0.000000000000000 10.815808382491630 Atomic positions (fractional): 1 Lu 0.68684712151534 0.75000000000000 0.51791888013732 174.967 2 Lu 0.82571199706740 0.75000000000000 0.03749881810695 174.967 3 Lu 0.17428800293260 0.25000000000000 0.96250118189305 174.967 4 Lu 0.31315287848466 0.25000000000000 0.48208111986268 174.967 5 P 0.67630885738485 0.53671604878277 0.78412811519340 30.974 6 P 0.67630885738485 0.96328395121723 0.78412811519340 30.974 7 P 0.68869339512595 0.25000000000000 0.87494198777380 30.974 8 P 0.73486481049566 0.51249675899030 0.26765217299258 30.974 9 P 0.73486481049566 0.98750324100970 0.26765217299258 30.974 10 P 0.82525715699514 0.25000000000000 0.39959769944464 30.974 11 P 0.17474284300487 0.75000000000000 0.60040230055536 30.974 12 P 0.26513518950434 0.01249675899030 0.73234782700742 30.974 13 P 0.26513518950434 0.48750324100970 0.73234782700742 30.974 14 P 0.31130660487405 0.75000000000000 0.12505801222620 30.974 15 P 0.32369114261515 0.03671604878277 0.21587188480660 30.974 16 P 0.32369114261515 0.46328395121723 0.21587188480660 30.974 17 O 0.51160748453341 0.75000000000000 0.07488526884839 15.999 18 O 0.55168503865304 0.05142037633610 0.19245738359734 15.999 19 O 0.55168503865304 0.44857962366390 0.19245738359734 15.999 20 O 0.62410843717115 0.25000000000000 0.44809849497975 15.999 21 O 0.66920615348736 0.91182926015455 0.38001872520895 15.999 22 O 0.66920615348736 0.58817073984545 0.38001872520895 15.999 23 O 0.71015920689644 0.12672585001257 0.77662052249657 15.999 24 O 0.71015920689644 0.37327414998743 0.77662052249657 15.999 25 O 0.72064880022320 0.90616320156612 0.65995460770992 15.999 26 O 0.72064880022320 0.59383679843388 0.65995460770992 15.999 27 O 0.77631345939309 0.59572897685215 0.89654030327459 15.999 28 O 0.77631345939309 0.90427102314785 0.89654030327459 15.999 29 O 0.85352597706190 0.12334706956331 0.30528841283732 15.999 30 O 0.85352597706190 0.37665293043669 0.30528841283732 15.999 31 O 0.85405882259702 0.58974762788629 0.17736952199497 15.999 32 O 0.85405882259702 0.91025237211371 0.17736952199497 15.999 33 O 0.85880263485372 0.25000000000000 0.96428921675477 15.999 34 O 0.99590056088799 0.25000000000000 0.48790013684681 15.999 35 O 0.00409943911201 0.75000000000000 0.51209986315319 15.999 36 O 0.14119736514628 0.75000000000000 0.03571078324523 15.999 37 O 0.14594117740298 0.08974762788629 0.82263047800503 15.999 38 O 0.14594117740298 0.41025237211371 0.82263047800503 15.999 39 O 0.14647402293810 0.62334706956331 0.69471158716268 15.999 40 O 0.14647402293810 0.87665293043669 0.69471158716268 15.999 41 O 0.22368654060692 0.09572897685215 0.10345969672541 15.999 42 O 0.22368654060692 0.40427102314785 0.10345969672541 15.999 43 O 0.27935119977680 0.09383679843388 0.34004539229008 15.999 44 O 0.27935119977680 0.40616320156612 0.34004539229008 15.999 45 O 0.28984079310356 0.62672585001257 0.22337947750343 15.999 46 O 0.28984079310356 0.87327414998743 0.22337947750343 15.999 47 O 0.33079384651264 0.08817073984545 0.61998127479105 15.999 48 O 0.33079384651264 0.41182926015455 0.61998127479105 15.999 49 O 0.37589156282885 0.75000000000000 0.55190150502025 15.999 50 O 0.44831496134696 0.55142037633610 0.80754261640266 15.999 51 O 0.44831496134696 0.94857962366390 0.80754261640266 15.999 52 O 0.48839251546659 0.25000000000000 0.92511473115161 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.791762102105290 0.000000000000000 0.000000000000000 b 0.000000000000000 9.630779419999998 0.000000000000000 c -0.309576891954333 0.000000000000000 10.815808382491630 Atomic positions (fractional): 1 Lu 0.34342356075767 0.75000000000000 0.51791888013732 174.967 > 1 2 Lu 0.84342356075767 0.75000000000000 0.51791888013732 174.967 > 1 3 Lu 0.41285599853370 0.75000000000000 0.03749881810695 174.967 > 3 4 Lu 0.91285599853370 0.75000000000000 0.03749881810695 174.967 > 3 5 Lu 0.08714400146630 0.25000000000000 0.96250118189305 174.967 > 5 6 Lu 0.58714400146630 0.25000000000000 0.96250118189305 174.967 > 5 7 Lu 0.15657643924233 0.25000000000000 0.48208111986268 174.967 > 7 8 Lu 0.65657643924233 0.25000000000000 0.48208111986268 174.967 > 7 9 P 0.33815442869242 0.53671604878277 0.78412811519340 30.974 > 9 10 P 0.83815442869242 0.53671604878277 0.78412811519340 30.974 > 9 11 P 0.33815442869242 0.96328395121723 0.78412811519340 30.974 > 11 12 P 0.83815442869242 0.96328395121723 0.78412811519340 30.974 > 11 13 P 0.34434669756297 0.25000000000000 0.87494198777380 30.974 > 13 14 P 0.84434669756297 0.25000000000000 0.87494198777380 30.974 > 13 15 P 0.36743240524783 0.51249675899030 0.26765217299258 30.974 > 15 16 P 0.86743240524783 0.51249675899030 0.26765217299258 30.974 > 15 17 P 0.36743240524783 0.98750324100970 0.26765217299258 30.974 > 17 18 P 0.86743240524783 0.98750324100970 0.26765217299258 30.974 > 17 19 P 0.41262857849757 0.25000000000000 0.39959769944464 30.974 > 19 20 P 0.91262857849757 0.25000000000000 0.39959769944464 30.974 > 19 21 P 0.08737142150243 0.75000000000000 0.60040230055536 30.974 > 21 22 P 0.58737142150243 0.75000000000000 0.60040230055536 30.974 > 21 23 P 0.13256759475217 0.01249675899030 0.73234782700742 30.974 > 23 24 P 0.63256759475217 0.01249675899030 0.73234782700742 30.974 > 23 25 P 0.13256759475217 0.48750324100970 0.73234782700742 30.974 > 25 26 P 0.63256759475217 0.48750324100970 0.73234782700742 30.974 > 25 27 P 0.15565330243702 0.75000000000000 0.12505801222620 30.974 > 27 28 P 0.65565330243703 0.75000000000000 0.12505801222620 30.974 > 27 29 P 0.16184557130758 0.03671604878277 0.21587188480660 30.974 > 29 30 P 0.66184557130758 0.03671604878277 0.21587188480660 30.974 > 29 31 P 0.16184557130758 0.46328395121723 0.21587188480660 30.974 > 31 32 P 0.66184557130758 0.46328395121723 0.21587188480660 30.974 > 31 33 O 0.25580374226670 0.75000000000000 0.07488526884839 15.999 > 33 34 O 0.75580374226670 0.75000000000000 0.07488526884839 15.999 > 33 35 O 0.27584251932652 0.05142037633610 0.19245738359734 15.999 > 35 36 O 0.77584251932652 0.05142037633610 0.19245738359734 15.999 > 35 37 O 0.27584251932652 0.44857962366390 0.19245738359734 15.999 > 37 38 O 0.77584251932652 0.44857962366390 0.19245738359734 15.999 > 37 39 O 0.31205421858557 0.25000000000000 0.44809849497975 15.999 > 39 40 O 0.81205421858557 0.25000000000000 0.44809849497975 15.999 > 39 41 O 0.33460307674368 0.91182926015455 0.38001872520895 15.999 > 41 42 O 0.83460307674368 0.91182926015455 0.38001872520895 15.999 > 41 43 O 0.33460307674368 0.58817073984545 0.38001872520895 15.999 > 43 44 O 0.83460307674368 0.58817073984545 0.38001872520895 15.999 > 43 45 O 0.35507960344822 0.12672585001257 0.77662052249657 15.999 > 45 46 O 0.85507960344822 0.12672585001257 0.77662052249657 15.999 > 45 47 O 0.35507960344822 0.37327414998743 0.77662052249657 15.999 > 47 48 O 0.85507960344822 0.37327414998743 0.77662052249657 15.999 > 47 49 O 0.36032440011160 0.90616320156612 0.65995460770992 15.999 > 49 50 O 0.86032440011160 0.90616320156612 0.65995460770992 15.999 > 49 51 O 0.36032440011160 0.59383679843388 0.65995460770992 15.999 > 51 52 O 0.86032440011160 0.59383679843388 0.65995460770992 15.999 > 51 53 O 0.38815672969654 0.59572897685215 0.89654030327459 15.999 > 53 54 O 0.88815672969654 0.59572897685215 0.89654030327459 15.999 > 53 55 O 0.38815672969654 0.90427102314785 0.89654030327459 15.999 > 55 56 O 0.88815672969654 0.90427102314785 0.89654030327459 15.999 > 55 57 O 0.42676298853095 0.12334706956331 0.30528841283732 15.999 > 57 58 O 0.92676298853095 0.12334706956331 0.30528841283732 15.999 > 57 59 O 0.42676298853095 0.37665293043669 0.30528841283732 15.999 > 59 60 O 0.92676298853095 0.37665293043669 0.30528841283732 15.999 > 59 61 O 0.42702941129851 0.58974762788629 0.17736952199497 15.999 > 61 62 O 0.92702941129851 0.58974762788629 0.17736952199497 15.999 > 61 63 O 0.42702941129851 0.91025237211371 0.17736952199497 15.999 > 63 64 O 0.92702941129851 0.91025237211371 0.17736952199497 15.999 > 63 65 O 0.42940131742686 0.25000000000000 0.96428921675477 15.999 > 65 66 O 0.92940131742686 0.25000000000000 0.96428921675477 15.999 > 65 67 O 0.49795028044400 0.25000000000000 0.48790013684681 15.999 > 67 68 O 0.99795028044400 0.25000000000000 0.48790013684681 15.999 > 67 69 O 0.00204971955600 0.75000000000000 0.51209986315319 15.999 > 69 70 O 0.50204971955600 0.75000000000000 0.51209986315319 15.999 > 69 71 O 0.07059868257314 0.75000000000000 0.03571078324523 15.999 > 71 72 O 0.57059868257314 0.75000000000000 0.03571078324523 15.999 > 71 73 O 0.07297058870149 0.08974762788629 0.82263047800503 15.999 > 73 74 O 0.57297058870149 0.08974762788629 0.82263047800503 15.999 > 73 75 O 0.07297058870149 0.41025237211371 0.82263047800503 15.999 > 75 76 O 0.57297058870149 0.41025237211371 0.82263047800503 15.999 > 75 77 O 0.07323701146905 0.62334706956331 0.69471158716268 15.999 > 77 78 O 0.57323701146905 0.62334706956331 0.69471158716268 15.999 > 77 79 O 0.07323701146905 0.87665293043669 0.69471158716268 15.999 > 79 80 O 0.57323701146905 0.87665293043669 0.69471158716268 15.999 > 79 81 O 0.11184327030346 0.09572897685215 0.10345969672541 15.999 > 81 82 O 0.61184327030346 0.09572897685215 0.10345969672541 15.999 > 81 83 O 0.11184327030346 0.40427102314785 0.10345969672541 15.999 > 83 84 O 0.61184327030346 0.40427102314785 0.10345969672541 15.999 > 83 85 O 0.13967559988840 0.09383679843388 0.34004539229008 15.999 > 85 86 O 0.63967559988840 0.09383679843388 0.34004539229008 15.999 > 85 87 O 0.13967559988840 0.40616320156612 0.34004539229008 15.999 > 87 88 O 0.63967559988840 0.40616320156612 0.34004539229008 15.999 > 87 89 O 0.14492039655178 0.62672585001257 0.22337947750343 15.999 > 89 90 O 0.64492039655178 0.62672585001257 0.22337947750343 15.999 > 89 91 O 0.14492039655178 0.87327414998743 0.22337947750343 15.999 > 91 92 O 0.64492039655178 0.87327414998743 0.22337947750343 15.999 > 91 93 O 0.16539692325632 0.08817073984545 0.61998127479105 15.999 > 93 94 O 0.66539692325632 0.08817073984545 0.61998127479105 15.999 > 93 95 O 0.16539692325632 0.41182926015455 0.61998127479105 15.999 > 95 96 O 0.66539692325632 0.41182926015455 0.61998127479105 15.999 > 95 97 O 0.18794578141443 0.75000000000000 0.55190150502025 15.999 > 97 98 O 0.68794578141443 0.75000000000000 0.55190150502025 15.999 > 97 99 O 0.22415748067348 0.55142037633610 0.80754261640266 15.999 > 99 100 O 0.72415748067348 0.55142037633610 0.80754261640266 15.999 > 99 101 O 0.22415748067348 0.94857962366390 0.80754261640266 15.999 > 101 102 O 0.72415748067348 0.94857962366390 0.80754261640266 15.999 > 101 103 O 0.24419625773330 0.25000000000000 0.92511473115161 15.999 > 103 104 O 0.74419625773330 0.25000000000000 0.92511473115161 15.999 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5978719 0.0000000 0.0429100 0.0000000 2.6248564 0.0000000 0.0429094 0.0000000 2.5872566 -------------------------- Born effective charges -------------------------- 1 Lu 3.9463517 0.0000000 -0.3033666 0.0000000 3.9019132 0.0000000 0.1861260 0.0000000 4.4589373 2 Lu 4.0460962 0.0000000 -0.0772344 0.0000000 3.8535929 0.0000000 0.3443900 0.0000000 4.3609235 3 Lu 4.0460962 0.0000000 -0.0772344 0.0000000 3.8535929 0.0000000 0.3443900 0.0000000 4.3609235 4 Lu 3.9463517 0.0000000 -0.3033666 0.0000000 3.9019132 0.0000000 0.1861260 0.0000000 4.4589373 5 P 3.4666762 -0.0396334 -0.0406563 0.4767509 3.8796776 -0.0591648 0.6132379 -0.3521735 3.4160270 6 P 3.4666762 0.0396334 -0.0406563 -0.4767509 3.8796776 0.0591648 0.6132379 0.3521735 3.4160270 7 P 3.7895717 0.0000000 0.5320144 0.0000000 4.0824840 0.0000000 -0.0254155 0.0000000 2.8930611 8 P 3.3353372 0.1524244 0.3241058 -0.3297514 3.9264961 -0.1922672 -0.1892496 -0.2297898 3.5067772 9 P 3.3353372 -0.1524244 0.3241058 0.3297514 3.9264961 0.1922672 -0.1892496 0.2297898 3.5067772 10 P 3.8373173 0.0000000 0.7520056 0.0000000 4.0284764 0.0000000 -0.1127939 0.0000000 3.0004536 11 P 3.8373173 0.0000000 0.7520056 0.0000000 4.0284764 0.0000000 -0.1127939 0.0000000 3.0004536 12 P 3.3353372 -0.1524244 0.3241058 0.3297514 3.9264961 0.1922672 -0.1892496 0.2297898 3.5067772 13 P 3.3353372 0.1524244 0.3241058 -0.3297514 3.9264961 -0.1922672 -0.1892496 -0.2297898 3.5067772 14 P 3.7895717 0.0000000 0.5320144 0.0000000 4.0824840 0.0000000 -0.0254155 0.0000000 2.8930611 15 P 3.4666762 0.0396334 -0.0406563 -0.4767509 3.8796776 0.0591648 0.6132379 0.3521735 3.4160270 16 P 3.4666762 -0.0396334 -0.0406563 0.4767509 3.8796776 -0.0591648 0.6132379 -0.3521735 3.4160270 17 O -2.5873277 0.0000000 0.3535005 0.0000000 -1.1001037 0.0000000 0.4798534 0.0000000 -1.0766283 18 O -2.6659508 0.3443632 -0.3632831 0.3191757 -1.0725650 0.1170102 -0.5255456 0.1188227 -1.1217663 19 O -2.6659508 -0.3443632 -0.3632831 -0.3191757 -1.0725650 -0.1170102 -0.5255456 -0.1188227 -1.1217663 20 O -2.6877575 0.0000000 0.3588855 0.0000000 -1.0677435 0.0000000 0.5170523 0.0000000 -1.0813605 21 O -0.9647731 -0.0145088 0.0561993 -0.1606657 -1.8096594 0.9009370 0.1826272 0.9525666 -2.2078425 22 O -0.9647731 0.0145088 0.0561993 0.1606657 -1.8096594 -0.9009370 0.1826272 -0.9525666 -2.2078425 23 O -0.9783344 -0.2100500 -0.0806182 0.0086722 -3.0150488 -0.7489129 -0.0558436 -0.6601026 -1.1320054 24 O -0.9783344 0.2100500 -0.0806182 -0.0086722 -3.0150488 0.7489129 -0.0558436 0.6601026 -1.1320054 25 O -1.0702639 0.1211563 0.2477663 0.1417834 -1.6027234 -0.9155959 0.0187460 -0.8025707 -2.1989297 26 O -1.0702639 -0.1211563 0.2477663 -0.1417834 -1.6027234 0.9155959 0.0187460 0.8025707 -2.1989297 27 O -1.1110816 -0.2306489 -0.3898215 -0.3667173 -1.6833517 -0.8568217 -0.5037993 -0.8176710 -2.2227455 28 O -1.1110816 0.2306489 -0.3898215 0.3667173 -1.6833517 0.8568217 -0.5037993 0.8176710 -2.2227455 29 O -1.1718605 -0.4873680 -0.2698592 -0.4338744 -2.7354242 -1.0699140 -0.0765081 -0.8341631 -1.2803056 30 O -1.1718605 0.4873680 -0.2698592 0.4338744 -2.7354242 1.0699140 -0.0765081 0.8341631 -1.2803056 31 O -1.2635255 -0.2212669 0.3054678 -0.2207380 -1.7205928 0.8398517 0.3668980 0.7951375 -1.8585118 32 O -1.2635255 0.2212669 0.3054678 0.2207380 -1.7205928 -0.8398517 0.3668980 -0.7951375 -1.8585118 33 O -2.7700737 0.0000000 -0.5740322 0.0000000 -1.0330378 0.0000000 -0.5374706 0.0000000 -1.1660233 34 O -2.7266256 0.0000000 -0.6203749 0.0000000 -0.9991982 0.0000000 -0.5128674 0.0000000 -1.1907583 35 O -2.7266256 0.0000000 -0.6203749 0.0000000 -0.9991982 0.0000000 -0.5128674 0.0000000 -1.1907583 36 O -2.7700737 0.0000000 -0.5740322 0.0000000 -1.0330378 0.0000000 -0.5374706 0.0000000 -1.1660233 37 O -1.2635255 0.2212669 0.3054678 0.2207380 -1.7205928 -0.8398517 0.3668980 -0.7951375 -1.8585118 38 O -1.2635255 -0.2212669 0.3054678 -0.2207380 -1.7205928 0.8398517 0.3668980 0.7951375 -1.8585118 39 O -1.1718605 0.4873680 -0.2698592 0.4338744 -2.7354242 1.0699140 -0.0765081 0.8341631 -1.2803056 40 O -1.1718605 -0.4873680 -0.2698592 -0.4338744 -2.7354242 -1.0699140 -0.0765081 -0.8341631 -1.2803056 41 O -1.1110816 0.2306489 -0.3898215 0.3667173 -1.6833517 0.8568217 -0.5037993 0.8176710 -2.2227455 42 O -1.1110816 -0.2306489 -0.3898215 -0.3667173 -1.6833517 -0.8568217 -0.5037993 -0.8176710 -2.2227455 43 O -1.0702639 0.1211563 0.2477663 0.1417834 -1.6027234 -0.9155959 0.0187460 -0.8025707 -2.1989297 44 O -1.0702639 -0.1211563 0.2477663 -0.1417834 -1.6027234 0.9155959 0.0187460 0.8025707 -2.1989297 45 O -0.9783344 0.2100500 -0.0806182 -0.0086722 -3.0150488 0.7489129 -0.0558436 0.6601026 -1.1320054 46 O -0.9783344 -0.2100500 -0.0806182 0.0086722 -3.0150488 -0.7489129 -0.0558436 -0.6601026 -1.1320054 47 O -0.9647731 -0.0145088 0.0561993 -0.1606657 -1.8096594 0.9009370 0.1826272 0.9525666 -2.2078425 48 O -0.9647731 0.0145088 0.0561993 0.1606657 -1.8096594 -0.9009370 0.1826272 -0.9525666 -2.2078425 49 O -2.6877575 0.0000000 0.3588855 0.0000000 -1.0677435 0.0000000 0.5170523 0.0000000 -1.0813605 50 O -2.6659508 -0.3443632 -0.3632831 -0.3191757 -1.0725650 -0.1170102 -0.5255456 -0.1188227 -1.1217663 51 O -2.6659508 0.3443632 -0.3632831 0.3191757 -1.0725650 0.1170102 -0.5255456 0.1188227 -1.1217663 52 O -2.5873277 0.0000000 0.3535005 0.0000000 -1.1001037 0.0000000 0.4798534 0.0000000 -1.0766283 ---------------------------------------------------------------------------- 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] [-0.0003 0.0000 0.0100] [ 0.0003 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] [-0.0003 0.0000 0.0100] [ 0.0003 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] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 13, 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] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 15, 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] [-0.0003 0.0000 0.0100] [ 0.0003 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] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 35, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 39, 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] [-0.0003 0.0000 0.0100] [ 0.0003 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] [-0.0003 0.0000 0.0100] [ 0.0003 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] [-0.0003 0.0000 0.0100] [ 0.0003 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] [-0.0003 0.0000 0.0100] [ 0.0003 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] [-0.0003 0.0000 0.0100] [ 0.0003 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] [-0.0003 0.0000 0.0100] [ 0.0003 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] [-0.0003 0.0000 0.0100] [ 0.0003 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] [-0.0003 0.0000 0.0100] [ 0.0003 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] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (xz) 0.00000001 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 01:02:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:02:44]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.895881051052645 0.000000000000000 0.000000000000000 b 0.000000000000000 9.630779419999998 0.000000000000000 c -0.309576891954333 0.000000000000000 10.815808382491630 Atomic positions (fractional): 1 Lu 0.68684712151534 0.75000000000000 0.51791888013732 174.967 2 Lu 0.82571199706740 0.75000000000000 0.03749881810695 174.967 3 Lu 0.17428800293260 0.25000000000000 0.96250118189305 174.967 4 Lu 0.31315287848466 0.25000000000000 0.48208111986268 174.967 5 P 0.67630885738485 0.53671604878277 0.78412811519340 30.974 6 P 0.67630885738485 0.96328395121723 0.78412811519340 30.974 7 P 0.68869339512595 0.25000000000000 0.87494198777380 30.974 8 P 0.73486481049566 0.51249675899030 0.26765217299258 30.974 9 P 0.73486481049566 0.98750324100970 0.26765217299258 30.974 10 P 0.82525715699514 0.25000000000000 0.39959769944464 30.974 11 P 0.17474284300487 0.75000000000000 0.60040230055536 30.974 12 P 0.26513518950434 0.01249675899030 0.73234782700742 30.974 13 P 0.26513518950434 0.48750324100970 0.73234782700742 30.974 14 P 0.31130660487405 0.75000000000000 0.12505801222620 30.974 15 P 0.32369114261515 0.03671604878277 0.21587188480660 30.974 16 P 0.32369114261515 0.46328395121723 0.21587188480660 30.974 17 O 0.51160748453341 0.75000000000000 0.07488526884839 15.999 18 O 0.55168503865304 0.05142037633610 0.19245738359734 15.999 19 O 0.55168503865304 0.44857962366390 0.19245738359734 15.999 20 O 0.62410843717115 0.25000000000000 0.44809849497975 15.999 21 O 0.66920615348736 0.91182926015455 0.38001872520895 15.999 22 O 0.66920615348736 0.58817073984545 0.38001872520895 15.999 23 O 0.71015920689644 0.12672585001257 0.77662052249657 15.999 24 O 0.71015920689644 0.37327414998743 0.77662052249657 15.999 25 O 0.72064880022320 0.90616320156612 0.65995460770992 15.999 26 O 0.72064880022320 0.59383679843388 0.65995460770992 15.999 27 O 0.77631345939309 0.59572897685215 0.89654030327459 15.999 28 O 0.77631345939309 0.90427102314785 0.89654030327459 15.999 29 O 0.85352597706190 0.12334706956331 0.30528841283732 15.999 30 O 0.85352597706190 0.37665293043669 0.30528841283732 15.999 31 O 0.85405882259702 0.58974762788629 0.17736952199497 15.999 32 O 0.85405882259702 0.91025237211371 0.17736952199497 15.999 33 O 0.85880263485372 0.25000000000000 0.96428921675477 15.999 34 O 0.99590056088799 0.25000000000000 0.48790013684681 15.999 35 O 0.00409943911201 0.75000000000000 0.51209986315319 15.999 36 O 0.14119736514628 0.75000000000000 0.03571078324523 15.999 37 O 0.14594117740298 0.08974762788629 0.82263047800503 15.999 38 O 0.14594117740298 0.41025237211371 0.82263047800503 15.999 39 O 0.14647402293810 0.62334706956331 0.69471158716268 15.999 40 O 0.14647402293810 0.87665293043669 0.69471158716268 15.999 41 O 0.22368654060692 0.09572897685215 0.10345969672541 15.999 42 O 0.22368654060692 0.40427102314785 0.10345969672541 15.999 43 O 0.27935119977680 0.09383679843388 0.34004539229008 15.999 44 O 0.27935119977680 0.40616320156612 0.34004539229008 15.999 45 O 0.28984079310356 0.62672585001257 0.22337947750343 15.999 46 O 0.28984079310356 0.87327414998743 0.22337947750343 15.999 47 O 0.33079384651264 0.08817073984545 0.61998127479105 15.999 48 O 0.33079384651264 0.41182926015455 0.61998127479105 15.999 49 O 0.37589156282885 0.75000000000000 0.55190150502025 15.999 50 O 0.44831496134696 0.55142037633610 0.80754261640266 15.999 51 O 0.44831496134696 0.94857962366390 0.80754261640266 15.999 52 O 0.48839251546659 0.25000000000000 0.92511473115161 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.791762102105290 0.000000000000000 0.000000000000000 b 0.000000000000000 9.630779419999998 0.000000000000000 c -0.309576891954333 0.000000000000000 10.815808382491630 Atomic positions (fractional): 1 Lu 0.34342356075767 0.75000000000000 0.51791888013732 174.967 > 1 2 Lu 0.84342356075767 0.75000000000000 0.51791888013732 174.967 > 1 3 Lu 0.41285599853370 0.75000000000000 0.03749881810695 174.967 > 3 4 Lu 0.91285599853370 0.75000000000000 0.03749881810695 174.967 > 3 5 Lu 0.08714400146630 0.25000000000000 0.96250118189305 174.967 > 5 6 Lu 0.58714400146630 0.25000000000000 0.96250118189305 174.967 > 5 7 Lu 0.15657643924233 0.25000000000000 0.48208111986268 174.967 > 7 8 Lu 0.65657643924233 0.25000000000000 0.48208111986268 174.967 > 7 9 P 0.33815442869242 0.53671604878277 0.78412811519340 30.974 > 9 10 P 0.83815442869242 0.53671604878277 0.78412811519340 30.974 > 9 11 P 0.33815442869242 0.96328395121723 0.78412811519340 30.974 > 11 12 P 0.83815442869242 0.96328395121723 0.78412811519340 30.974 > 11 13 P 0.34434669756297 0.25000000000000 0.87494198777380 30.974 > 13 14 P 0.84434669756297 0.25000000000000 0.87494198777380 30.974 > 13 15 P 0.36743240524783 0.51249675899030 0.26765217299258 30.974 > 15 16 P 0.86743240524783 0.51249675899030 0.26765217299258 30.974 > 15 17 P 0.36743240524783 0.98750324100970 0.26765217299258 30.974 > 17 18 P 0.86743240524783 0.98750324100970 0.26765217299258 30.974 > 17 19 P 0.41262857849757 0.25000000000000 0.39959769944464 30.974 > 19 20 P 0.91262857849757 0.25000000000000 0.39959769944464 30.974 > 19 21 P 0.08737142150243 0.75000000000000 0.60040230055536 30.974 > 21 22 P 0.58737142150243 0.75000000000000 0.60040230055536 30.974 > 21 23 P 0.13256759475217 0.01249675899030 0.73234782700742 30.974 > 23 24 P 0.63256759475217 0.01249675899030 0.73234782700742 30.974 > 23 25 P 0.13256759475217 0.48750324100970 0.73234782700742 30.974 > 25 26 P 0.63256759475217 0.48750324100970 0.73234782700742 30.974 > 25 27 P 0.15565330243702 0.75000000000000 0.12505801222620 30.974 > 27 28 P 0.65565330243703 0.75000000000000 0.12505801222620 30.974 > 27 29 P 0.16184557130758 0.03671604878277 0.21587188480660 30.974 > 29 30 P 0.66184557130758 0.03671604878277 0.21587188480660 30.974 > 29 31 P 0.16184557130758 0.46328395121723 0.21587188480660 30.974 > 31 32 P 0.66184557130758 0.46328395121723 0.21587188480660 30.974 > 31 33 O 0.25580374226670 0.75000000000000 0.07488526884839 15.999 > 33 34 O 0.75580374226670 0.75000000000000 0.07488526884839 15.999 > 33 35 O 0.27584251932652 0.05142037633610 0.19245738359734 15.999 > 35 36 O 0.77584251932652 0.05142037633610 0.19245738359734 15.999 > 35 37 O 0.27584251932652 0.44857962366390 0.19245738359734 15.999 > 37 38 O 0.77584251932652 0.44857962366390 0.19245738359734 15.999 > 37 39 O 0.31205421858557 0.25000000000000 0.44809849497975 15.999 > 39 40 O 0.81205421858557 0.25000000000000 0.44809849497975 15.999 > 39 41 O 0.33460307674368 0.91182926015455 0.38001872520895 15.999 > 41 42 O 0.83460307674368 0.91182926015455 0.38001872520895 15.999 > 41 43 O 0.33460307674368 0.58817073984545 0.38001872520895 15.999 > 43 44 O 0.83460307674368 0.58817073984545 0.38001872520895 15.999 > 43 45 O 0.35507960344822 0.12672585001257 0.77662052249657 15.999 > 45 46 O 0.85507960344822 0.12672585001257 0.77662052249657 15.999 > 45 47 O 0.35507960344822 0.37327414998743 0.77662052249657 15.999 > 47 48 O 0.85507960344822 0.37327414998743 0.77662052249657 15.999 > 47 49 O 0.36032440011160 0.90616320156612 0.65995460770992 15.999 > 49 50 O 0.86032440011160 0.90616320156612 0.65995460770992 15.999 > 49 51 O 0.36032440011160 0.59383679843388 0.65995460770992 15.999 > 51 52 O 0.86032440011160 0.59383679843388 0.65995460770992 15.999 > 51 53 O 0.38815672969654 0.59572897685215 0.89654030327459 15.999 > 53 54 O 0.88815672969654 0.59572897685215 0.89654030327459 15.999 > 53 55 O 0.38815672969654 0.90427102314785 0.89654030327459 15.999 > 55 56 O 0.88815672969654 0.90427102314785 0.89654030327459 15.999 > 55 57 O 0.42676298853095 0.12334706956331 0.30528841283732 15.999 > 57 58 O 0.92676298853095 0.12334706956331 0.30528841283732 15.999 > 57 59 O 0.42676298853095 0.37665293043669 0.30528841283732 15.999 > 59 60 O 0.92676298853095 0.37665293043669 0.30528841283732 15.999 > 59 61 O 0.42702941129851 0.58974762788629 0.17736952199497 15.999 > 61 62 O 0.92702941129851 0.58974762788629 0.17736952199497 15.999 > 61 63 O 0.42702941129851 0.91025237211371 0.17736952199497 15.999 > 63 64 O 0.92702941129851 0.91025237211371 0.17736952199497 15.999 > 63 65 O 0.42940131742686 0.25000000000000 0.96428921675477 15.999 > 65 66 O 0.92940131742686 0.25000000000000 0.96428921675477 15.999 > 65 67 O 0.49795028044400 0.25000000000000 0.48790013684681 15.999 > 67 68 O 0.99795028044400 0.25000000000000 0.48790013684681 15.999 > 67 69 O 0.00204971955600 0.75000000000000 0.51209986315319 15.999 > 69 70 O 0.50204971955600 0.75000000000000 0.51209986315319 15.999 > 69 71 O 0.07059868257314 0.75000000000000 0.03571078324523 15.999 > 71 72 O 0.57059868257314 0.75000000000000 0.03571078324523 15.999 > 71 73 O 0.07297058870149 0.08974762788629 0.82263047800503 15.999 > 73 74 O 0.57297058870149 0.08974762788629 0.82263047800503 15.999 > 73 75 O 0.07297058870149 0.41025237211371 0.82263047800503 15.999 > 75 76 O 0.57297058870149 0.41025237211371 0.82263047800503 15.999 > 75 77 O 0.07323701146905 0.62334706956331 0.69471158716268 15.999 > 77 78 O 0.57323701146905 0.62334706956331 0.69471158716268 15.999 > 77 79 O 0.07323701146905 0.87665293043669 0.69471158716268 15.999 > 79 80 O 0.57323701146905 0.87665293043669 0.69471158716268 15.999 > 79 81 O 0.11184327030346 0.09572897685215 0.10345969672541 15.999 > 81 82 O 0.61184327030346 0.09572897685215 0.10345969672541 15.999 > 81 83 O 0.11184327030346 0.40427102314785 0.10345969672541 15.999 > 83 84 O 0.61184327030346 0.40427102314785 0.10345969672541 15.999 > 83 85 O 0.13967559988840 0.09383679843388 0.34004539229008 15.999 > 85 86 O 0.63967559988840 0.09383679843388 0.34004539229008 15.999 > 85 87 O 0.13967559988840 0.40616320156612 0.34004539229008 15.999 > 87 88 O 0.63967559988840 0.40616320156612 0.34004539229008 15.999 > 87 89 O 0.14492039655178 0.62672585001257 0.22337947750343 15.999 > 89 90 O 0.64492039655178 0.62672585001257 0.22337947750343 15.999 > 89 91 O 0.14492039655178 0.87327414998743 0.22337947750343 15.999 > 91 92 O 0.64492039655178 0.87327414998743 0.22337947750343 15.999 > 91 93 O 0.16539692325632 0.08817073984545 0.61998127479105 15.999 > 93 94 O 0.66539692325632 0.08817073984545 0.61998127479105 15.999 > 93 95 O 0.16539692325632 0.41182926015455 0.61998127479105 15.999 > 95 96 O 0.66539692325632 0.41182926015455 0.61998127479105 15.999 > 95 97 O 0.18794578141443 0.75000000000000 0.55190150502025 15.999 > 97 98 O 0.68794578141443 0.75000000000000 0.55190150502025 15.999 > 97 99 O 0.22415748067348 0.55142037633610 0.80754261640266 15.999 > 99 100 O 0.72415748067348 0.55142037633610 0.80754261640266 15.999 > 99 101 O 0.22415748067348 0.94857962366390 0.80754261640266 15.999 > 101 102 O 0.72415748067348 0.94857962366390 0.80754261640266 15.999 > 101 103 O 0.24419625773330 0.25000000000000 0.92511473115161 15.999 > 103 104 O 0.74419625773330 0.25000000000000 0.92511473115161 15.999 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.5978719 0.0000000 0.0429100 0.0000000 2.6248564 0.0000000 0.0429094 0.0000000 2.5872566 -------------------------- Born effective charges -------------------------- 1 Lu 3.9463517 0.0000000 -0.3033666 0.0000000 3.9019132 0.0000000 0.1861260 0.0000000 4.4589373 2 Lu 4.0460962 0.0000000 -0.0772344 0.0000000 3.8535929 0.0000000 0.3443900 0.0000000 4.3609235 3 Lu 4.0460962 0.0000000 -0.0772344 0.0000000 3.8535929 0.0000000 0.3443900 0.0000000 4.3609235 4 Lu 3.9463517 0.0000000 -0.3033666 0.0000000 3.9019132 0.0000000 0.1861260 0.0000000 4.4589373 5 P 3.4666762 -0.0396334 -0.0406563 0.4767509 3.8796776 -0.0591648 0.6132379 -0.3521735 3.4160270 6 P 3.4666762 0.0396334 -0.0406563 -0.4767509 3.8796776 0.0591648 0.6132379 0.3521735 3.4160270 7 P 3.7895717 0.0000000 0.5320144 0.0000000 4.0824840 0.0000000 -0.0254155 0.0000000 2.8930611 8 P 3.3353372 0.1524244 0.3241058 -0.3297514 3.9264961 -0.1922672 -0.1892496 -0.2297898 3.5067772 9 P 3.3353372 -0.1524244 0.3241058 0.3297514 3.9264961 0.1922672 -0.1892496 0.2297898 3.5067772 10 P 3.8373173 0.0000000 0.7520056 0.0000000 4.0284764 0.0000000 -0.1127939 0.0000000 3.0004536 11 P 3.8373173 0.0000000 0.7520056 0.0000000 4.0284764 0.0000000 -0.1127939 0.0000000 3.0004536 12 P 3.3353372 -0.1524244 0.3241058 0.3297514 3.9264961 0.1922672 -0.1892496 0.2297898 3.5067772 13 P 3.3353372 0.1524244 0.3241058 -0.3297514 3.9264961 -0.1922672 -0.1892496 -0.2297898 3.5067772 14 P 3.7895717 0.0000000 0.5320144 0.0000000 4.0824840 0.0000000 -0.0254155 0.0000000 2.8930611 15 P 3.4666762 0.0396334 -0.0406563 -0.4767509 3.8796776 0.0591648 0.6132379 0.3521735 3.4160270 16 P 3.4666762 -0.0396334 -0.0406563 0.4767509 3.8796776 -0.0591648 0.6132379 -0.3521735 3.4160270 17 O -2.5873277 0.0000000 0.3535005 0.0000000 -1.1001037 0.0000000 0.4798534 0.0000000 -1.0766283 18 O -2.6659508 0.3443632 -0.3632831 0.3191757 -1.0725650 0.1170102 -0.5255456 0.1188227 -1.1217663 19 O -2.6659508 -0.3443632 -0.3632831 -0.3191757 -1.0725650 -0.1170102 -0.5255456 -0.1188227 -1.1217663 20 O -2.6877575 0.0000000 0.3588855 0.0000000 -1.0677435 0.0000000 0.5170523 0.0000000 -1.0813605 21 O -0.9647731 -0.0145088 0.0561993 -0.1606657 -1.8096594 0.9009370 0.1826272 0.9525666 -2.2078425 22 O -0.9647731 0.0145088 0.0561993 0.1606657 -1.8096594 -0.9009370 0.1826272 -0.9525666 -2.2078425 23 O -0.9783344 -0.2100500 -0.0806182 0.0086722 -3.0150488 -0.7489129 -0.0558436 -0.6601026 -1.1320054 24 O -0.9783344 0.2100500 -0.0806182 -0.0086722 -3.0150488 0.7489129 -0.0558436 0.6601026 -1.1320054 25 O -1.0702639 0.1211563 0.2477663 0.1417834 -1.6027234 -0.9155959 0.0187460 -0.8025707 -2.1989297 26 O -1.0702639 -0.1211563 0.2477663 -0.1417834 -1.6027234 0.9155959 0.0187460 0.8025707 -2.1989297 27 O -1.1110816 -0.2306489 -0.3898215 -0.3667173 -1.6833517 -0.8568217 -0.5037993 -0.8176710 -2.2227455 28 O -1.1110816 0.2306489 -0.3898215 0.3667173 -1.6833517 0.8568217 -0.5037993 0.8176710 -2.2227455 29 O -1.1718605 -0.4873680 -0.2698592 -0.4338744 -2.7354242 -1.0699140 -0.0765081 -0.8341631 -1.2803056 30 O -1.1718605 0.4873680 -0.2698592 0.4338744 -2.7354242 1.0699140 -0.0765081 0.8341631 -1.2803056 31 O -1.2635255 -0.2212669 0.3054678 -0.2207380 -1.7205928 0.8398517 0.3668980 0.7951375 -1.8585118 32 O -1.2635255 0.2212669 0.3054678 0.2207380 -1.7205928 -0.8398517 0.3668980 -0.7951375 -1.8585118 33 O -2.7700737 0.0000000 -0.5740322 0.0000000 -1.0330378 0.0000000 -0.5374706 0.0000000 -1.1660233 34 O -2.7266256 0.0000000 -0.6203749 0.0000000 -0.9991982 0.0000000 -0.5128674 0.0000000 -1.1907583 35 O -2.7266256 0.0000000 -0.6203749 0.0000000 -0.9991982 0.0000000 -0.5128674 0.0000000 -1.1907583 36 O -2.7700737 0.0000000 -0.5740322 0.0000000 -1.0330378 0.0000000 -0.5374706 0.0000000 -1.1660233 37 O -1.2635255 0.2212669 0.3054678 0.2207380 -1.7205928 -0.8398517 0.3668980 -0.7951375 -1.8585118 38 O -1.2635255 -0.2212669 0.3054678 -0.2207380 -1.7205928 0.8398517 0.3668980 0.7951375 -1.8585118 39 O -1.1718605 0.4873680 -0.2698592 0.4338744 -2.7354242 1.0699140 -0.0765081 0.8341631 -1.2803056 40 O -1.1718605 -0.4873680 -0.2698592 -0.4338744 -2.7354242 -1.0699140 -0.0765081 -0.8341631 -1.2803056 41 O -1.1110816 0.2306489 -0.3898215 0.3667173 -1.6833517 0.8568217 -0.5037993 0.8176710 -2.2227455 42 O -1.1110816 -0.2306489 -0.3898215 -0.3667173 -1.6833517 -0.8568217 -0.5037993 -0.8176710 -2.2227455 43 O -1.0702639 0.1211563 0.2477663 0.1417834 -1.6027234 -0.9155959 0.0187460 -0.8025707 -2.1989297 44 O -1.0702639 -0.1211563 0.2477663 -0.1417834 -1.6027234 0.9155959 0.0187460 0.8025707 -2.1989297 45 O -0.9783344 0.2100500 -0.0806182 -0.0086722 -3.0150488 0.7489129 -0.0558436 0.6601026 -1.1320054 46 O -0.9783344 -0.2100500 -0.0806182 0.0086722 -3.0150488 -0.7489129 -0.0558436 -0.6601026 -1.1320054 47 O -0.9647731 -0.0145088 0.0561993 -0.1606657 -1.8096594 0.9009370 0.1826272 0.9525666 -2.2078425 48 O -0.9647731 0.0145088 0.0561993 0.1606657 -1.8096594 -0.9009370 0.1826272 -0.9525666 -2.2078425 49 O -2.6877575 0.0000000 0.3588855 0.0000000 -1.0677435 0.0000000 0.5170523 0.0000000 -1.0813605 50 O -2.6659508 -0.3443632 -0.3632831 -0.3191757 -1.0725650 -0.1170102 -0.5255456 -0.1188227 -1.1217663 51 O -2.6659508 0.3443632 -0.3632831 0.3191757 -1.0725650 0.1170102 -0.5255456 0.1188227 -1.1217663 52 O -2.5873277 0.0000000 0.3535005 0.0000000 -1.1001037 0.0000000 0.4798534 0.0000000 -1.0766283 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 5 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.46, Number of G-points: 307, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/54) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 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 1.080 ( 0.000 0.000 0.000) 0.000 1.534 ( 0.000 0.000 0.000) 0.000 1.632 ( 0.000 0.000 0.000) 0.000 2.063 ( 0.000 0.000 0.000) 0.000 2.068 ( 0.000 0.000 0.000) 0.000 2.156 ( 0.000 0.000 0.000) 0.000 2.228 ( 0.000 0.000 0.000) 0.000 2.476 ( 0.000 0.000 0.000) 0.000 2.539 ( 0.000 0.000 0.000) 0.000 2.573 ( 0.000 0.000 0.000) 0.000 2.897 ( 0.000 0.000 0.000) 0.000 3.036 ( 0.000 0.000 0.000) 0.000 3.122 ( 0.000 0.000 0.000) 0.000 3.282 ( 0.000 0.000 0.000) 0.000 3.290 ( 0.000 0.000 0.000) 0.000 3.301 ( 0.000 0.000 0.000) 0.000 3.373 ( 0.000 0.000 0.000) 0.000 3.599 ( 0.000 0.000 0.000) 0.000 3.713 ( 0.000 0.000 0.000) 0.000 3.748 ( 0.000 0.000 0.000) 0.000 3.767 ( 0.000 0.000 0.000) 0.000 3.906 ( 0.000 0.000 0.000) 0.000 3.919 ( 0.000 0.000 0.000) 0.000 4.032 ( 0.000 0.000 0.000) 0.000 4.062 ( 0.000 0.000 0.000) 0.000 4.251 ( 0.000 0.000 0.000) 0.000 4.487 ( 0.000 0.000 0.000) 0.000 4.515 ( 0.000 0.000 0.000) 0.000 4.532 ( 0.000 0.000 0.000) 0.000 4.617 ( 0.000 0.000 0.000) 0.000 4.692 ( 0.000 0.000 0.000) 0.000 4.754 ( 0.000 0.000 0.000) 0.000 4.845 ( 0.000 0.000 0.000) 0.000 5.214 ( 0.000 0.000 0.000) 0.000 5.282 ( 0.000 0.000 0.000) 0.000 5.329 ( 0.000 0.000 0.000) 0.000 5.329 ( 0.000 0.000 0.000) 0.000 5.616 ( 0.000 0.000 0.000) 0.000 5.732 ( 0.000 0.000 0.000) 0.000 5.796 ( 0.000 0.000 0.000) 0.000 5.957 ( 0.000 0.000 0.000) 0.000 6.608 ( 0.000 0.000 0.000) 0.000 6.911 ( 0.000 0.000 0.000) 0.000 7.231 ( 0.000 0.000 0.000) 0.000 7.271 ( 0.000 0.000 0.000) 0.000 7.375 ( 0.000 0.000 0.000) 0.000 7.496 ( 0.000 0.000 0.000) 0.000 7.673 ( 0.000 0.000 0.000) 0.000 7.785 ( 0.000 0.000 0.000) 0.000 7.843 ( 0.000 0.000 0.000) 0.000 7.868 ( 0.000 0.000 0.000) 0.000 8.331 ( 0.000 0.000 0.000) 0.000 8.529 ( 0.000 0.000 0.000) 0.000 8.741 ( 0.000 0.000 0.000) 0.000 8.782 ( 0.000 0.000 0.000) 0.000 8.924 ( 0.000 0.000 0.000) 0.000 9.027 ( 0.000 0.000 0.000) 0.000 9.473 ( 0.000 0.000 0.000) 0.000 9.525 ( 0.000 0.000 0.000) 0.000 9.570 ( 0.000 0.000 0.000) 0.000 9.584 ( 0.000 0.000 0.000) 0.000 10.044 ( 0.000 0.000 0.000) 0.000 10.053 ( 0.000 0.000 0.000) 0.000 10.748 ( 0.000 0.000 0.000) 0.000 10.766 ( 0.000 0.000 0.000) 0.000 11.096 ( 0.000 0.000 0.000) 0.000 11.114 ( 0.000 0.000 0.000) 0.000 11.127 ( 0.000 0.000 0.000) 0.000 11.134 ( 0.000 0.000 0.000) 0.000 11.576 ( 0.000 0.000 0.000) 0.000 11.638 ( 0.000 0.000 0.000) 0.000 11.740 ( 0.000 0.000 0.000) 0.000 11.779 ( 0.000 0.000 0.000) 0.000 11.895 ( 0.000 0.000 0.000) 0.000 11.907 ( 0.000 0.000 0.000) 0.000 12.178 ( 0.000 0.000 0.000) 0.000 12.179 ( 0.000 0.000 0.000) 0.000 12.627 ( 0.000 0.000 0.000) 0.000 12.789 ( 0.000 0.000 0.000) 0.000 13.263 ( 0.000 0.000 0.000) 0.000 13.269 ( 0.000 0.000 0.000) 0.000 13.290 ( 0.000 0.000 0.000) 0.000 13.320 ( 0.000 0.000 0.000) 0.000 13.982 ( 0.000 0.000 0.000) 0.000 14.012 ( 0.000 0.000 0.000) 0.000 14.051 ( 0.000 0.000 0.000) 0.000 14.064 ( 0.000 0.000 0.000) 0.000 14.578 ( 0.000 0.000 0.000) 0.000 14.592 ( 0.000 0.000 0.000) 0.000 14.977 ( 0.000 0.000 0.000) 0.000 14.983 ( 0.000 0.000 0.000) 0.000 15.058 ( 0.000 0.000 0.000) 0.000 15.183 ( 0.000 0.000 0.000) 0.000 15.195 ( 0.000 0.000 0.000) 0.000 15.217 ( 0.000 0.000 0.000) 0.000 15.637 ( 0.000 0.000 0.000) 0.000 15.728 ( 0.000 0.000 0.000) 0.000 16.302 ( 0.000 0.000 0.000) 0.000 16.365 ( 0.000 0.000 0.000) 0.000 16.681 ( 0.000 0.000 0.000) 0.000 16.741 ( 0.000 0.000 0.000) 0.000 17.079 ( 0.000 0.000 0.000) 0.000 17.125 ( 0.000 0.000 0.000) 0.000 17.306 ( 0.000 0.000 0.000) 0.000 17.443 ( 0.000 0.000 0.000) 0.000 20.239 ( 0.000 0.000 0.000) 0.000 20.296 ( 0.000 0.000 0.000) 0.000 20.409 ( 0.000 0.000 0.000) 0.000 20.508 ( 0.000 0.000 0.000) 0.000 21.327 ( 0.000 0.000 0.000) 0.000 21.506 ( 0.000 0.000 0.000) 0.000 21.966 ( 0.000 0.000 0.000) 0.000 21.968 ( 0.000 0.000 0.000) 0.000 23.012 ( 0.000 0.000 0.000) 0.000 23.205 ( 0.000 0.000 0.000) 0.000 23.245 ( 0.000 0.000 0.000) 0.000 23.336 ( 0.000 0.000 0.000) 0.000 26.857 ( 0.000 0.000 0.000) 0.000 26.866 ( 0.000 0.000 0.000) 0.000 28.534 ( 0.000 0.000 0.000) 0.000 28.677 ( 0.000 0.000 0.000) 0.000 28.708 ( 0.000 0.000 0.000) 0.000 29.006 ( 0.000 0.000 0.000) 0.000 30.183 ( 0.000 0.000 0.000) 0.000 30.266 ( 0.000 0.000 0.000) 0.000 31.141 ( 0.000 0.000 0.000) 0.000 31.516 ( 0.000 0.000 0.000) 0.000 31.589 ( 0.000 0.000 0.000) 0.000 31.815 ( 0.000 0.000 0.000) 0.000 31.917 ( 0.000 0.000 0.000) 0.000 32.415 ( 0.000 0.000 0.000) 0.000 32.420 ( 0.000 0.000 0.000) 0.000 32.439 ( 0.000 0.000 0.000) 0.000 32.551 ( 0.000 0.000 0.000) 0.000 33.149 ( 0.000 0.000 0.000) 0.000 33.752 ( 0.000 0.000 0.000) 0.000 33.778 ( 0.000 0.000 0.000) 0.000 33.886 ( 0.000 0.000 0.000) 0.000 34.475 ( 0.000 0.000 0.000) 0.000 34.876 ( 0.000 0.000 0.000) 0.000 35.157 ( 0.000 0.000 0.000) 0.000 35.521 ( 0.000 0.000 0.000) 0.000 35.534 ( 0.000 0.000 0.000) 0.000 35.724 ( 0.000 0.000 0.000) 0.000 35.743 ( 0.000 0.000 0.000) 0.000 35.785 ( 0.000 0.000 0.000) 0.000 35.922 ( 0.000 0.000 0.000) 0.000 36.045 ( 0.000 0.000 0.000) 0.000 36.121 ( 0.000 0.000 0.000) 0.000 36.180 ( 0.000 0.000 0.000) 0.000 36.390 ( 0.000 0.000 0.000) 0.000 37.894 ( 0.000 0.000 0.000) 0.000 39.239 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/54) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.421 ( 17.496 0.000 16.152) 23.812 0.440 ( 21.980 0.000 -12.897) 25.485 1.168 ( 7.087 0.000 -0.419) 7.099 1.187 ( 54.234 0.000 6.090) 54.575 1.722 ( 8.349 0.000 2.544) 8.728 1.959 ( 22.880 0.000 1.085) 22.906 2.127 ( -2.250 0.000 -0.804) 2.389 2.204 ( 12.484 0.000 2.454) 12.723 2.361 ( 19.970 0.000 2.532) 20.130 2.457 ( -1.226 0.000 -0.455) 1.308 2.515 ( 32.752 0.000 -4.728) 33.092 2.527 ( -1.144 0.000 4.958) 5.089 2.660 ( 7.095 0.000 1.712) 7.298 2.985 ( -4.592 0.000 -1.356) 4.788 3.010 ( 10.135 0.000 -1.737) 10.283 3.073 ( -2.365 0.000 -6.675) 7.082 3.259 ( -2.179 0.000 -0.924) 2.367 3.278 ( -1.662 0.000 -2.460) 2.968 3.340 ( 2.018 0.000 5.775) 6.118 3.368 ( -4.162 0.000 -3.536) 5.461 3.532 ( -5.202 0.000 -2.833) 5.924 3.701 ( -3.140 0.000 1.816) 3.627 3.776 ( 1.985 0.000 0.519) 2.051 3.864 ( -3.696 0.000 -1.070) 3.848 3.883 ( -3.264 0.000 -0.991) 3.411 3.963 ( 0.907 0.000 1.286) 1.573 4.013 ( -4.857 0.000 -5.970) 7.697 4.121 ( 6.283 0.000 -5.589) 8.409 4.331 ( 2.561 0.000 -5.936) 6.465 4.371 ( -8.157 0.000 -0.229) 8.161 4.500 ( 1.294 0.000 3.353) 3.594 4.551 ( -0.727 0.000 -3.336) 3.415 4.621 ( 0.250 0.000 6.440) 6.445 4.762 ( 3.594 0.000 -3.811) 5.239 4.773 ( 0.049 0.000 -4.949) 4.950 4.903 ( 4.438 0.000 7.238) 8.490 5.197 ( -1.504 0.000 -0.636) 1.633 5.289 ( 0.672 0.000 4.421) 4.472 5.311 ( -2.168 0.000 6.132) 6.504 5.314 ( -0.785 0.000 -2.325) 2.454 5.639 ( 1.459 0.000 -2.892) 3.239 5.713 ( -1.638 0.000 -1.080) 1.962 5.782 ( -1.054 0.000 3.637) 3.787 5.963 ( 0.659 0.000 -0.226) 0.697 6.608 ( -0.007 0.000 1.471) 1.471 6.928 ( -0.772 0.000 -0.742) 1.070 7.274 ( 3.469 0.000 1.051) 3.625 7.349 ( -2.271 0.000 0.144) 2.275 7.439 ( -2.727 0.000 -5.141) 5.819 7.488 ( -0.903 0.000 1.834) 2.044 7.700 ( 2.689 0.000 0.272) 2.702 7.853 ( 0.254 0.000 -2.113) 2.129 7.889 ( 4.289 0.000 0.263) 4.297 8.144 ( -4.267 0.000 0.551) 4.303 8.319 ( -0.991 0.000 -1.286) 1.624 8.524 ( 0.096 0.000 0.333) 0.347 8.757 ( 1.880 0.000 -0.614) 1.978 8.953 ( 2.358 0.000 -0.345) 2.383 9.001 ( 2.351 0.000 7.417) 7.780 9.059 ( 2.763 0.000 0.436) 2.798 9.481 ( 0.258 0.000 -0.462) 0.530 9.517 ( -0.511 0.000 -0.269) 0.577 9.578 ( 0.766 0.000 0.119) 0.775 9.610 ( 1.805 0.000 0.211) 1.817 10.021 ( -1.931 0.000 3.667) 4.144 10.077 ( 1.940 0.000 -1.841) 2.675 10.720 ( -2.399 0.000 -0.284) 2.416 10.742 ( -2.229 0.000 0.275) 2.246 11.095 ( -1.565 0.000 0.596) 1.675 11.104 ( -0.386 0.000 -2.527) 2.556 11.125 ( -0.987 0.000 -0.619) 1.164 11.146 ( 1.663 0.000 0.042) 1.664 11.563 ( -1.062 0.000 -0.292) 1.101 11.606 ( -2.308 0.000 -0.082) 2.310 11.693 ( -4.731 0.000 3.613) 5.953 11.722 ( -4.319 0.000 -3.453) 5.530 11.969 ( 4.212 0.000 1.844) 4.598 11.989 ( 5.905 0.000 -0.488) 5.925 12.175 ( -0.072 0.000 -0.847) 0.850 12.189 ( 0.428 0.000 0.777) 0.887 12.631 ( 0.394 0.000 0.472) 0.615 12.776 ( -1.152 0.000 -0.305) 1.191 13.261 ( -0.191 0.000 -0.092) 0.212 13.268 ( -0.143 0.000 1.131) 1.140 13.291 ( -0.050 0.000 -0.096) 0.109 13.314 ( -0.485 0.000 -1.268) 1.358 14.046 ( 2.759 0.000 -1.098) 2.970 14.054 ( 1.233 0.000 -1.465) 1.915 14.148 ( 5.824 0.000 1.684) 6.063 14.317 ( -4.501 0.000 -5.245) 6.912 14.591 ( 1.272 0.000 -1.448) 1.927 14.695 ( 0.213 0.000 1.118) 1.138 15.024 ( 4.045 0.000 -0.467) 4.072 15.073 ( 1.920 0.000 -0.803) 2.081 15.119 ( -0.561 0.000 1.124) 1.256 15.238 ( 5.337 0.000 0.135) 5.339 15.295 ( 7.086 0.000 -0.130) 7.088 15.520 ( -0.837 0.000 10.956) 10.988 15.678 ( 2.167 0.000 -1.317) 2.536 15.950 ( 2.555 0.000 31.846) 31.948 16.312 ( 0.880 0.000 0.066) 0.882 16.358 ( -0.593 0.000 -0.495) 0.772 16.711 ( 2.611 0.000 0.525) 2.663 16.813 ( 0.230 0.000 -4.383) 4.389 17.078 ( -1.142 0.000 -2.485) 2.735 17.122 ( -0.321 0.000 0.431) 0.537 17.293 ( -1.260 0.000 0.119) 1.265 17.419 ( -2.277 0.000 0.134) 2.281 20.258 ( 1.754 0.000 -1.802) 2.515 20.313 ( 1.584 0.000 -0.008) 1.584 20.427 ( 1.614 0.000 -0.107) 1.617 20.542 ( 2.770 0.000 1.445) 3.124 21.456 ( -3.284 0.000 -1.979) 3.835 21.539 ( 0.836 0.000 -8.195) 8.238 21.967 ( 0.678 0.000 -0.768) 1.024 21.997 ( 2.127 0.000 1.280) 2.482 22.952 ( -5.638 0.000 0.891) 5.708 23.191 ( -4.853 0.000 -0.525) 4.882 23.195 ( -1.035 0.000 -1.612) 1.916 23.268 ( -6.155 0.000 0.211) 6.159 26.855 ( -0.043 0.000 -1.477) 1.478 26.871 ( 0.250 0.000 1.482) 1.503 28.681 ( -2.311 0.000 -0.292) 2.329 28.710 ( 2.856 0.000 -4.826) 5.608 28.939 ( -5.466 0.000 0.126) 5.467 29.562 ( -5.165 0.000 52.325) 52.579 30.236 ( 4.889 0.000 -0.399) 4.905 30.372 ( 8.671 0.000 0.690) 8.698 31.178 ( 3.324 0.000 4.107) 5.283 31.482 ( -3.171 0.000 -1.881) 3.687 31.560 ( -3.773 0.000 -2.751) 4.669 31.822 ( -0.581 0.000 3.115) 3.169 31.916 ( 0.077 0.000 5.747) 5.748 32.392 ( -2.000 0.000 -0.584) 2.083 32.419 ( -0.064 0.000 0.236) 0.245 32.425 ( -1.191 0.000 1.660) 2.043 32.545 ( -0.511 0.000 -0.266) 0.577 33.076 ( -11.864 0.000 -12.149) 16.981 33.746 ( -0.518 0.000 0.277) 0.587 33.780 ( 0.180 0.000 -0.178) 0.253 33.849 ( -3.285 0.000 -1.992) 3.842 34.438 ( -5.667 0.000 0.729) 5.714 34.587 ( -20.061 0.000 3.980) 20.452 34.994 ( -5.728 0.000 0.581) 5.757 35.679 ( 3.185 0.000 -0.228) 3.193 35.740 ( 1.424 0.000 -0.073) 1.426 35.755 ( 1.175 0.000 -0.242) 1.200 35.763 ( 0.945 0.000 -8.435) 8.487 35.826 ( 3.749 0.000 -6.728) 7.702 36.082 ( 0.481 0.000 10.460) 10.471 36.179 ( -0.097 0.000 0.144) 0.174 36.371 ( -1.770 0.000 0.061) 1.771 36.375 ( 27.710 0.000 8.663) 29.033 37.556 ( 10.715 0.000 -33.558) 35.227 38.623 ( 4.534 0.000 9.671) 10.681 39.247 ( 0.643 0.000 1.813) 1.924 ======================= Grid point 2 (3/54) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( 7.663 0.000 11.626) 13.924 0.846 ( 16.630 0.000 -11.365) 20.142 1.327 ( 7.746 0.000 -0.108) 7.746 1.931 ( 9.167 0.000 -0.564) 9.184 1.941 ( 1.413 0.000 11.358) 11.445 2.096 ( 0.611 0.000 -1.447) 1.571 2.252 ( 33.505 0.000 -0.197) 33.505 2.422 ( -2.511 0.000 -2.789) 3.753 2.494 ( -2.452 0.000 10.937) 11.209 2.716 ( 16.479 0.000 4.997) 17.220 2.753 ( 18.397 0.000 -4.139) 18.857 2.803 ( 3.393 0.000 2.337) 4.120 2.939 ( 4.624 0.000 0.332) 4.636 3.045 ( -0.523 0.000 -1.525) 1.612 3.074 ( 6.528 0.000 -4.256) 7.793 3.173 ( 1.078 0.000 -7.573) 7.649 3.195 ( -5.196 0.000 -5.632) 7.663 3.257 ( 11.155 0.000 -1.894) 11.315 3.375 ( 1.352 0.000 1.965) 2.385 3.405 ( -2.102 0.000 2.935) 3.610 3.493 ( 15.934 0.000 -0.277) 15.936 3.666 ( -0.919 0.000 6.235) 6.303 3.790 ( -6.161 0.000 -6.470) 8.934 3.805 ( 0.990 0.000 -0.793) 1.269 3.864 ( -7.290 0.000 -4.790) 8.723 3.933 ( 9.494 0.000 -2.462) 9.808 3.978 ( 3.389 0.000 3.680) 5.003 4.218 ( 1.722 0.000 -3.566) 3.960 4.222 ( -5.582 0.000 -2.118) 5.970 4.381 ( 2.800 0.000 -3.283) 4.315 4.510 ( -2.894 0.000 -1.734) 3.374 4.546 ( 2.664 0.000 1.828) 3.231 4.627 ( -0.125 0.000 7.227) 7.228 4.775 ( 0.669 0.000 -3.470) 3.534 4.819 ( 2.430 0.000 -2.870) 3.760 4.945 ( -1.547 0.000 3.565) 3.886 5.160 ( -1.828 0.000 0.544) 1.907 5.266 ( -2.160 0.000 1.842) 2.839 5.311 ( 0.577 0.000 -0.659) 0.876 5.330 ( 2.616 0.000 4.212) 4.958 5.635 ( -1.303 0.000 -4.952) 5.121 5.680 ( -0.837 0.000 -1.333) 1.574 5.805 ( 2.658 0.000 5.018) 5.679 5.982 ( 1.035 0.000 0.069) 1.037 6.615 ( 0.717 0.000 2.171) 2.286 6.904 ( -1.374 0.000 -1.629) 2.131 7.288 ( -3.465 0.000 0.310) 3.479 7.317 ( -2.323 0.000 -5.851) 6.295 7.366 ( -1.587 0.000 3.793) 4.111 7.469 ( -0.697 0.000 1.956) 2.077 7.775 ( 3.833 0.000 -0.691) 3.895 7.860 ( 0.936 0.000 1.116) 1.456 7.965 ( 1.119 0.000 -2.104) 2.383 8.073 ( -0.831 0.000 1.890) 2.064 8.296 ( -0.949 0.000 -1.851) 2.080 8.545 ( 1.671 0.000 1.140) 2.023 8.819 ( 3.749 0.000 0.363) 3.767 9.010 ( 3.025 0.000 -0.110) 3.027 9.037 ( 0.442 0.000 1.367) 1.437 9.123 ( 3.013 0.000 0.079) 3.014 9.485 ( 0.085 0.000 0.393) 0.402 9.500 ( -1.243 0.000 -0.686) 1.420 9.597 ( 0.884 0.000 0.015) 0.885 9.638 ( 0.657 0.000 0.330) 0.735 10.000 ( 0.152 0.000 1.535) 1.543 10.122 ( 2.095 0.000 -0.112) 2.098 10.667 ( -2.268 0.000 -0.200) 2.276 10.687 ( -2.598 0.000 0.154) 2.602 11.060 ( -1.648 0.000 1.216) 2.048 11.092 ( -2.004 0.000 -1.376) 2.431 11.097 ( -0.041 0.000 -0.928) 0.929 11.188 ( 2.186 0.000 -0.134) 2.190 11.544 ( -0.587 0.000 -0.496) 0.769 11.570 ( -0.976 0.000 0.264) 1.011 11.608 ( -3.571 0.000 3.393) 4.926 11.634 ( -3.514 0.000 -3.469) 4.937 12.053 ( 3.452 0.000 1.458) 3.747 12.106 ( 4.960 0.000 -0.343) 4.972 12.172 ( -0.137 0.000 -0.724) 0.737 12.192 ( -0.096 0.000 0.677) 0.684 12.642 ( 0.548 0.000 0.594) 0.808 12.749 ( -1.189 0.000 -0.331) 1.234 13.256 ( -0.232 0.000 -0.034) 0.235 13.263 ( -0.440 0.000 0.970) 1.065 13.286 ( -0.365 0.000 -0.142) 0.392 13.301 ( -0.614 0.000 -0.903) 1.092 14.085 ( 1.476 0.000 -1.484) 2.093 14.098 ( 1.871 0.000 -0.998) 2.120 14.209 ( -4.705 0.000 -1.406) 4.911 14.260 ( 4.183 0.000 1.436) 4.422 14.621 ( 1.504 0.000 -1.421) 2.069 14.708 ( 0.772 0.000 0.469) 0.903 15.096 ( 2.370 0.000 1.395) 2.750 15.102 ( -0.102 0.000 -1.942) 1.944 15.172 ( 6.510 0.000 -2.870) 7.115 15.386 ( 7.943 0.000 0.145) 7.944 15.476 ( 9.221 0.000 -0.108) 9.221 15.526 ( 0.772 0.000 3.028) 3.125 15.698 ( -0.023 0.000 -1.604) 1.604 16.029 ( 2.985 0.000 12.610) 12.958 16.334 ( 1.094 0.000 -0.011) 1.094 16.343 ( -0.659 0.000 -0.550) 0.858 16.771 ( 2.642 0.000 0.192) 2.649 16.819 ( 0.540 0.000 -0.888) 1.040 17.049 ( -1.344 0.000 0.259) 1.369 17.113 ( -0.533 0.000 0.250) 0.588 17.259 ( -1.839 0.000 0.104) 1.842 17.359 ( -3.127 0.000 0.215) 3.135 20.301 ( 2.244 0.000 -2.425) 3.304 20.354 ( 2.084 0.000 -0.018) 2.084 20.468 ( 2.092 0.000 -0.138) 2.096 20.618 ( 4.034 0.000 2.408) 4.698 21.383 ( -3.365 0.000 0.082) 3.366 21.542 ( -0.094 0.000 -3.841) 3.842 21.990 ( 1.489 0.000 -0.339) 1.527 22.052 ( 2.881 0.000 1.036) 3.062 22.820 ( -6.299 0.000 1.853) 6.566 23.066 ( -6.351 0.000 -0.743) 6.394 23.113 ( -7.813 0.000 0.318) 7.819 23.163 ( -1.682 0.000 -1.408) 2.194 26.856 ( 0.226 0.000 -1.094) 1.117 26.875 ( -0.034 0.000 1.100) 1.100 28.628 ( -2.350 0.000 -0.351) 2.376 28.763 ( 2.132 0.000 -5.557) 5.952 28.824 ( -4.933 0.000 0.180) 4.936 29.470 ( -5.176 0.000 17.983) 18.713 30.355 ( 5.707 0.000 -0.365) 5.719 30.560 ( 8.291 0.000 0.675) 8.318 31.270 ( 4.394 0.000 5.221) 6.824 31.380 ( -5.750 0.000 -7.117) 9.150 31.470 ( -3.682 0.000 3.766) 5.267 31.812 ( -0.395 0.000 1.509) 1.560 31.936 ( 1.442 0.000 5.766) 5.944 32.346 ( -2.540 0.000 -0.824) 2.670 32.395 ( -1.554 0.000 0.868) 1.780 32.418 ( -0.038 0.000 0.299) 0.301 32.533 ( -0.521 0.000 -0.323) 0.613 32.755 ( -16.157 0.000 -7.660) 17.881 33.734 ( -0.567 0.000 0.226) 0.610 33.767 ( -3.886 0.000 -2.400) 4.567 33.784 ( 0.186 0.000 -0.122) 0.222 34.162 ( -13.317 0.000 3.036) 13.659 34.411 ( -3.058 0.000 1.075) 3.242 34.891 ( -4.355 0.000 0.262) 4.363 35.706 ( 0.571 0.000 2.190) 2.263 35.769 ( 0.001 0.000 -3.655) 3.655 35.774 ( 1.642 0.000 0.382) 1.686 35.788 ( 1.790 0.000 -0.868) 1.989 35.905 ( 3.968 0.000 -5.532) 6.808 36.082 ( -0.989 0.000 3.747) 3.875 36.180 ( 0.378 0.000 0.434) 0.575 36.321 ( -2.876 0.000 -0.076) 2.877 36.962 ( 25.325 0.000 5.095) 25.832 37.769 ( 9.345 0.000 -15.200) 17.843 38.767 ( 8.638 0.000 3.971) 9.507 39.257 ( -0.129 0.000 2.518) 2.522 ======================= Grid point 3 (4/54) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 0.912 0.000 3.963) 4.067 1.074 ( 5.514 0.000 -5.055) 7.480 1.453 ( 3.443 0.000 0.256) 3.453 1.896 ( -1.843 0.000 3.815) 4.237 2.014 ( 0.807 0.000 -0.580) 0.994 2.188 ( 5.813 0.000 -4.219) 7.183 2.338 ( -4.821 0.000 1.524) 5.056 2.459 ( -0.956 0.000 4.648) 4.745 2.795 ( 13.943 0.000 3.409) 14.354 2.853 ( 2.819 0.000 0.819) 2.936 2.891 ( 3.315 0.000 4.704) 5.754 2.934 ( 0.448 0.000 -6.427) 6.443 2.993 ( -3.023 0.000 -1.179) 3.244 3.077 ( -1.632 0.000 -2.530) 3.011 3.125 ( 3.378 0.000 7.817) 8.516 3.145 ( 5.146 0.000 -2.444) 5.697 3.189 ( 5.967 0.000 -0.399) 5.980 3.312 ( -3.646 0.000 -2.004) 4.161 3.380 ( -1.777 0.000 -3.125) 3.595 3.522 ( 5.135 0.000 0.476) 5.157 3.604 ( -5.634 0.000 -0.781) 5.688 3.657 ( -2.191 0.000 -2.666) 3.451 3.770 ( 3.727 0.000 0.296) 3.739 3.785 ( -1.286 0.000 -0.222) 1.305 3.889 ( 7.800 0.000 -0.824) 7.843 3.990 ( 2.419 0.000 1.105) 2.659 4.148 ( -1.522 0.000 -1.248) 1.968 4.176 ( -3.278 0.000 -1.660) 3.675 4.250 ( 9.587 0.000 1.118) 9.652 4.443 ( 3.134 0.000 -1.158) 3.342 4.450 ( -2.059 0.000 -0.360) 2.090 4.572 ( -0.566 0.000 -0.339) 0.660 4.631 ( 0.050 0.000 2.933) 2.934 4.804 ( 1.634 0.000 -1.875) 2.487 4.857 ( 1.243 0.000 -2.765) 3.032 4.892 ( -2.309 0.000 2.614) 3.488 5.132 ( -0.765 0.000 0.832) 1.130 5.233 ( -0.918 0.000 0.224) 0.945 5.324 ( 0.567 0.000 0.239) 0.615 5.365 ( 0.359 0.000 0.916) 0.983 5.611 ( -0.521 0.000 -1.727) 1.804 5.684 ( 0.674 0.000 -0.263) 0.723 5.857 ( 1.500 0.000 1.737) 2.295 5.999 ( 0.498 0.000 0.106) 0.509 6.636 ( 0.872 0.000 1.258) 1.531 6.878 ( -0.789 0.000 -0.588) 0.984 7.223 ( -3.310 0.000 -2.518) 4.159 7.227 ( -1.834 0.000 0.147) 1.840 7.362 ( -0.294 0.000 0.973) 1.016 7.465 ( 0.031 0.000 0.895) 0.896 7.818 ( 0.389 0.000 -0.258) 0.467 7.901 ( 2.480 0.000 3.015) 3.904 7.946 ( -1.514 0.000 -2.292) 2.747 8.094 ( 1.077 0.000 0.383) 1.143 8.282 ( -0.330 0.000 -0.906) 0.964 8.578 ( 1.042 0.000 0.635) 1.221 8.894 ( 2.739 0.000 1.007) 2.918 9.024 ( -1.192 0.000 -0.783) 1.426 9.062 ( 1.545 0.000 0.059) 1.546 9.171 ( 1.306 0.000 -0.091) 1.309 9.474 ( -0.813 0.000 -0.311) 0.871 9.486 ( 0.015 0.000 0.213) 0.214 9.610 ( 0.362 0.000 -0.041) 0.364 9.637 ( -0.393 0.000 0.060) 0.398 10.019 ( 0.915 0.000 0.436) 1.013 10.153 ( 0.762 0.000 0.202) 0.788 10.637 ( -0.493 0.000 -0.067) 0.497 10.646 ( -1.245 0.000 0.049) 1.246 11.036 ( -0.593 0.000 1.122) 1.269 11.054 ( -1.166 0.000 -1.214) 1.683 11.099 ( 0.122 0.000 -0.240) 0.269 11.224 ( 1.048 0.000 -0.149) 1.058 11.538 ( -0.070 0.000 -0.175) 0.189 11.556 ( -1.413 0.000 1.125) 1.806 11.562 ( -0.047 0.000 0.120) 0.129 11.583 ( -1.255 0.000 -1.181) 1.723 12.104 ( 1.264 0.000 0.532) 1.371 12.170 ( -0.036 0.000 -0.297) 0.299 12.181 ( 2.004 0.000 -0.058) 2.004 12.190 ( -0.106 0.000 0.293) 0.312 12.651 ( 0.246 0.000 0.273) 0.368 12.731 ( -0.485 0.000 -0.136) 0.504 13.253 ( -0.077 0.000 0.050) 0.092 13.254 ( -0.307 0.000 0.342) 0.460 13.278 ( -0.324 0.000 -0.163) 0.362 13.291 ( -0.313 0.000 -0.298) 0.432 14.105 ( 0.529 0.000 -0.569) 0.776 14.107 ( -0.720 0.000 -1.691) 1.838 14.156 ( -0.419 0.000 1.253) 1.321 14.316 ( 1.257 0.000 0.506) 1.355 14.644 ( 0.603 0.000 -0.589) 0.843 14.720 ( 0.310 0.000 0.096) 0.324 15.100 ( 0.138 0.000 -0.315) 0.344 15.137 ( 1.104 0.000 -0.042) 1.105 15.283 ( 3.236 0.000 -1.282) 3.481 15.520 ( 3.892 0.000 0.082) 3.893 15.547 ( 0.860 0.000 0.545) 1.018 15.626 ( 4.192 0.000 -0.053) 4.192 15.686 ( -0.630 0.000 -0.396) 0.744 16.072 ( 0.799 0.000 3.261) 3.358 16.333 ( -0.278 0.000 -0.290) 0.401 16.352 ( 0.502 0.000 0.022) 0.502 16.810 ( 1.116 0.000 -0.256) 1.145 16.830 ( 0.267 0.000 0.108) 0.288 17.030 ( -0.471 0.000 0.638) 0.794 17.103 ( -0.348 0.000 0.004) 0.348 17.227 ( -0.944 0.000 0.033) 0.945 17.307 ( -1.530 0.000 0.114) 1.535 20.336 ( 1.025 0.000 -1.155) 1.544 20.388 ( 0.968 0.000 -0.011) 0.968 20.502 ( 0.962 0.000 -0.062) 0.964 20.689 ( 2.082 0.000 1.200) 2.403 21.331 ( -1.406 0.000 0.263) 1.431 21.535 ( -0.299 0.000 -1.279) 1.314 22.018 ( 0.897 0.000 -0.059) 0.899 22.102 ( 1.524 0.000 0.395) 1.575 22.723 ( -2.624 0.000 0.703) 2.717 22.962 ( -2.878 0.000 -0.312) 2.895 22.984 ( -3.758 0.000 0.105) 3.760 23.135 ( -0.813 0.000 -0.522) 0.966 26.862 ( 0.369 0.000 -0.630) 0.730 26.871 ( -0.305 0.000 0.632) 0.702 28.593 ( -0.900 0.000 -0.155) 0.913 28.752 ( -1.795 0.000 0.087) 1.797 28.787 ( 0.485 0.000 -2.318) 2.368 29.394 ( -2.246 0.000 4.720) 5.227 30.443 ( 2.364 0.000 -0.148) 2.369 30.683 ( 3.144 0.000 0.272) 3.156 31.245 ( -3.282 0.000 -2.939) 4.405 31.371 ( 1.389 0.000 2.627) 2.972 31.436 ( 0.454 0.000 2.256) 2.301 31.807 ( -0.202 0.000 0.477) 0.518 31.969 ( 1.043 0.000 2.576) 2.779 32.266 ( -4.123 0.000 -2.013) 4.588 32.379 ( 0.043 0.000 0.276) 0.279 32.418 ( -0.002 0.000 0.134) 0.134 32.509 ( -5.826 0.000 -2.315) 6.269 32.526 ( -0.186 0.000 -0.140) 0.233 33.705 ( -1.661 0.000 -1.025) 1.952 33.725 ( -0.232 0.000 0.076) 0.245 33.787 ( 0.077 0.000 -0.037) 0.086 33.986 ( -4.101 0.000 1.141) 4.257 34.371 ( -0.934 0.000 0.376) 1.007 34.825 ( -1.779 0.000 0.100) 1.781 35.716 ( 0.269 0.000 1.331) 1.358 35.763 ( -0.291 0.000 -1.518) 1.546 35.801 ( 0.806 0.000 0.397) 0.899 35.816 ( 0.788 0.000 -0.666) 1.032 35.978 ( 3.170 0.000 -3.479) 4.706 36.049 ( -2.219 0.000 2.671) 3.473 36.199 ( 1.380 0.000 0.550) 1.486 36.261 ( -2.553 0.000 -0.336) 2.575 37.352 ( 10.601 0.000 2.370) 10.863 37.881 ( 2.204 0.000 -5.396) 5.829 38.943 ( 6.342 0.000 0.741) 6.385 39.235 ( -1.793 0.000 1.457) 2.311 ======================= Grid point 7 (5/54) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.418 ( 0.000 22.913 0.000) 22.913 0.700 ( 0.000 33.542 0.000) 33.542 1.188 ( 0.000 39.934 0.000) 39.934 1.437 ( 0.000 14.853 0.000) 14.853 1.582 ( 0.000 6.948 0.000) 6.948 1.858 ( 0.000 14.059 0.000) 14.059 1.915 ( 0.000 -12.022 0.000) 12.022 1.999 ( 0.000 3.491 0.000) 3.491 2.171 ( 0.000 -4.335 0.000) 4.335 2.245 ( 0.000 -9.534 0.000) 9.534 2.337 ( 0.000 17.547 0.000) 17.547 2.449 ( 0.000 -2.690 0.000) 2.690 2.674 ( 0.000 8.890 0.000) 8.890 2.943 ( 0.000 -12.072 0.000) 12.072 3.143 ( 0.000 8.061 0.000) 8.061 3.171 ( 0.000 9.719 0.000) 9.719 3.203 ( 0.000 -3.860 0.000) 3.860 3.221 ( 0.000 -4.484 0.000) 4.484 3.313 ( 0.000 -2.491 0.000) 2.491 3.391 ( 0.000 -0.728 0.000) 0.728 3.573 ( 0.000 -14.340 0.000) 14.340 3.642 ( 0.000 -6.882 0.000) 6.882 3.663 ( 0.000 1.247 0.000) 1.247 3.786 ( 0.000 -2.551 0.000) 2.551 3.831 ( 0.000 -7.352 0.000) 7.352 3.905 ( 0.000 14.041 0.000) 14.041 4.000 ( 0.000 -4.288 0.000) 4.288 4.093 ( 0.000 3.295 0.000) 3.295 4.349 ( 0.000 5.411 0.000) 5.411 4.381 ( 0.000 -3.534 0.000) 3.534 4.479 ( 0.000 -0.568 0.000) 0.568 4.614 ( 0.000 -5.713 0.000) 5.713 4.692 ( 0.000 9.995 0.000) 9.995 4.780 ( 0.000 9.687 0.000) 9.687 4.895 ( 0.000 9.505 0.000) 9.505 4.933 ( 0.000 1.259 0.000) 1.259 5.201 ( 0.000 -7.477 0.000) 7.477 5.259 ( 0.000 2.393 0.000) 2.393 5.359 ( 0.000 -0.826 0.000) 0.826 5.369 ( 0.000 1.625 0.000) 1.625 5.605 ( 0.000 -1.510 0.000) 1.510 5.754 ( 0.000 -3.853 0.000) 3.853 5.965 ( 0.000 0.573 0.000) 0.573 5.993 ( 0.000 -15.393 0.000) 15.393 6.691 ( 0.000 5.327 0.000) 5.327 6.843 ( 0.000 -5.689 0.000) 5.689 7.200 ( 0.000 -2.783 0.000) 2.783 7.243 ( 0.000 -2.453 0.000) 2.453 7.456 ( 0.000 6.091 0.000) 6.091 7.523 ( 0.000 1.896 0.000) 1.896 7.632 ( 0.000 -3.523 0.000) 3.523 7.729 ( 0.000 -3.843 0.000) 3.843 7.826 ( 0.000 -0.043 0.000) 0.043 7.860 ( 0.000 -0.136 0.000) 0.136 8.274 ( 0.000 -8.154 0.000) 8.154 8.453 ( 0.000 -11.545 0.000) 11.545 8.796 ( 0.000 6.118 0.000) 6.118 8.833 ( 0.000 8.578 0.000) 8.578 8.982 ( 0.000 3.641 0.000) 3.641 9.104 ( 0.000 5.269 0.000) 5.269 9.383 ( 0.000 -7.650 0.000) 7.650 9.505 ( 0.000 -5.641 0.000) 5.641 9.610 ( 0.000 6.005 0.000) 6.005 9.643 ( 0.000 5.287 0.000) 5.287 10.022 ( 0.000 -1.395 0.000) 1.395 10.022 ( 0.000 -2.108 0.000) 2.108 10.759 ( 0.000 -7.941 0.000) 7.941 10.788 ( 0.000 -12.814 0.000) 12.814 10.987 ( 0.000 0.041 0.000) 0.041 11.111 ( 0.000 3.008 0.000) 3.008 11.204 ( 0.000 7.754 0.000) 7.754 11.248 ( 0.000 5.784 0.000) 5.784 11.656 ( 0.000 -6.315 0.000) 6.315 11.691 ( 0.000 -7.187 0.000) 7.187 11.817 ( 0.000 2.020 0.000) 2.020 11.824 ( 0.000 13.146 0.000) 13.146 11.855 ( 0.000 -2.847 0.000) 2.847 11.888 ( 0.000 3.108 0.000) 3.108 12.203 ( 0.000 -0.161 0.000) 0.161 12.263 ( 0.000 3.412 0.000) 3.412 12.973 ( 0.000 17.823 0.000) 17.823 13.001 ( 0.000 19.648 0.000) 19.648 13.349 ( 0.000 8.573 0.000) 8.573 13.381 ( 0.000 9.757 0.000) 9.757 13.478 ( 0.000 13.121 0.000) 13.121 13.912 ( 0.000 -1.869 0.000) 1.869 13.938 ( 0.000 -2.786 0.000) 2.786 14.024 ( 0.000 0.845 0.000) 0.845 14.088 ( 0.000 0.989 0.000) 0.989 14.396 ( 0.000 -13.687 0.000) 13.687 14.442 ( 0.000 -12.289 0.000) 12.289 14.823 ( 0.000 -12.382 0.000) 12.382 14.851 ( 0.000 -2.768 0.000) 2.768 14.880 ( 0.000 -7.521 0.000) 7.521 14.944 ( 0.000 -10.115 0.000) 10.115 15.020 ( 0.000 -14.028 0.000) 14.028 15.420 ( 0.000 15.686 0.000) 15.686 15.472 ( 0.000 1.632 0.000) 1.632 15.644 ( 0.000 -5.822 0.000) 5.822 15.713 ( 0.000 9.408 0.000) 9.408 16.282 ( 0.000 -1.758 0.000) 1.758 16.328 ( 0.000 -3.416 0.000) 3.416 16.525 ( 0.000 -13.720 0.000) 13.720 16.641 ( 0.000 -9.007 0.000) 9.007 17.108 ( 0.000 2.618 0.000) 2.618 17.157 ( 0.000 2.622 0.000) 2.622 17.403 ( 0.000 -1.171 0.000) 1.171 17.432 ( 0.000 -1.119 0.000) 1.119 20.234 ( 0.000 0.203 0.000) 0.203 20.373 ( 0.000 -2.820 0.000) 2.820 20.386 ( 0.000 4.135 0.000) 4.135 20.523 ( 0.000 0.711 0.000) 0.711 21.362 ( 0.000 3.280 0.000) 3.280 21.505 ( 0.000 0.011 0.000) 0.011 21.919 ( 0.000 -3.996 0.000) 3.996 21.942 ( 0.000 -4.494 0.000) 4.494 23.085 ( 0.000 5.968 0.000) 5.968 23.224 ( 0.000 1.649 0.000) 1.649 23.360 ( 0.000 4.144 0.000) 4.144 23.375 ( 0.000 3.242 0.000) 3.242 26.993 ( 0.000 12.229 0.000) 12.229 27.610 ( 0.000 2.824 0.000) 2.824 28.255 ( 0.000 -20.156 0.000) 20.156 28.331 ( 0.000 -13.431 0.000) 13.431 29.228 ( 0.000 24.025 0.000) 24.025 29.295 ( 0.000 21.269 0.000) 21.269 30.205 ( 0.000 1.100 0.000) 1.100 30.902 ( 0.000 -18.703 0.000) 18.703 31.556 ( 0.000 -2.180 0.000) 2.180 31.577 ( 0.000 5.555 0.000) 5.555 31.724 ( 0.000 4.645 0.000) 4.645 31.799 ( 0.000 -1.146 0.000) 1.146 31.879 ( 0.000 -2.924 0.000) 2.924 32.251 ( 0.000 -11.086 0.000) 11.086 32.430 ( 0.000 2.397 0.000) 2.397 32.745 ( 0.000 10.405 0.000) 10.405 33.039 ( 0.000 -7.229 0.000) 7.229 33.616 ( 0.000 -10.637 0.000) 10.637 33.932 ( 0.000 14.404 0.000) 14.404 34.015 ( 0.000 7.690 0.000) 7.690 34.437 ( 0.000 -3.437 0.000) 3.437 34.802 ( 0.000 -6.673 0.000) 6.673 34.910 ( 0.000 2.882 0.000) 2.882 35.136 ( 0.000 -2.031 0.000) 2.031 35.516 ( 0.000 -0.380 0.000) 0.380 35.525 ( 0.000 -0.668 0.000) 0.668 35.728 ( 0.000 0.120 0.000) 0.120 35.741 ( 0.000 -0.163 0.000) 0.163 35.821 ( 0.000 3.273 0.000) 3.273 35.930 ( 0.000 0.734 0.000) 0.734 36.038 ( 0.000 -0.606 0.000) 0.606 36.102 ( 0.000 -1.779 0.000) 1.779 36.194 ( 0.000 1.340 0.000) 1.340 36.368 ( 0.000 -2.118 0.000) 2.118 37.995 ( 0.000 9.748 0.000) 9.748 39.082 ( 0.000 -14.274 0.000) 14.274 ======================= Grid point 8 (6/54) ======================= q-point: ( 0.14 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.788 ( 10.252 25.879 -11.581) 30.148 1.238 ( 45.292 10.923 0.441) 46.593 1.361 ( 13.000 42.861 9.220) 45.728 1.561 ( 11.610 16.483 0.035) 20.162 1.909 ( 10.817 12.667 -0.263) 16.659 1.952 ( 11.245 3.023 5.781) 13.000 2.080 ( 10.984 -5.217 -1.768) 12.288 2.109 ( -0.221 -4.011 0.929) 4.123 2.223 ( 6.672 -2.319 1.265) 7.176 2.374 ( 21.296 -9.817 -5.216) 24.023 2.460 ( 6.054 -0.674 0.153) 6.093 2.505 ( 16.047 5.667 -0.528) 17.026 2.742 ( 4.765 6.418 2.166) 8.282 2.894 ( -2.783 -8.691 -3.693) 9.845 3.111 ( -2.423 -1.645 -0.242) 2.939 3.152 ( 1.728 7.748 1.367) 8.055 3.222 ( 4.154 4.012 -0.547) 5.801 3.276 ( 1.936 -3.249 5.960) 7.059 3.311 ( -3.383 -2.673 -2.186) 4.834 3.358 ( -2.127 -1.811 -3.215) 4.259 3.605 ( -1.989 -3.917 -3.179) 5.422 3.634 ( 2.922 -9.147 5.355) 10.995 3.708 ( 1.464 -2.279 -4.264) 5.051 3.765 ( -2.461 -3.298 1.408) 4.349 3.833 ( 1.787 -4.785 -0.618) 5.145 3.883 ( -1.906 7.186 -1.693) 7.625 3.998 ( 1.466 -1.961 -1.702) 2.982 4.122 ( 0.962 2.091 -1.821) 2.935 4.276 ( -3.338 1.982 3.454) 5.196 4.405 ( 0.772 -0.677 -4.332) 4.453 4.484 ( 0.569 -0.161 -0.332) 0.678 4.640 ( 0.190 1.868 -3.663) 4.117 4.709 ( 2.948 2.770 1.997) 4.511 4.787 ( 0.119 7.944 4.433) 9.098 4.857 ( -1.945 6.276 -4.843) 8.163 4.944 ( -0.662 1.721 3.732) 4.162 5.169 ( -2.654 -6.716 -3.168) 7.886 5.227 ( -2.679 0.395 4.749) 5.467 5.341 ( 0.434 1.881 3.329) 3.848 5.385 ( 0.545 2.525 -1.358) 2.919 5.621 ( 1.386 -2.266 -2.096) 3.384 5.726 ( -2.208 -2.570 0.016) 3.389 5.821 ( -6.720 -0.460 1.347) 6.870 5.964 ( -0.636 -0.942 -0.365) 1.194 6.640 ( -1.470 3.793 0.444) 4.092 6.862 ( -0.247 -5.418 -0.926) 5.502 7.209 ( 1.487 -5.829 -1.889) 6.306 7.301 ( -0.569 -6.023 -0.559) 6.076 7.432 ( -2.495 5.096 0.464) 5.693 7.530 ( 0.229 2.042 1.163) 2.361 7.648 ( 2.178 -3.645 1.046) 4.373 7.801 ( 5.471 -4.769 -0.104) 7.258 7.842 ( 0.111 -1.201 0.171) 1.218 7.967 ( 4.256 -5.105 1.007) 6.722 8.284 ( 0.824 -6.881 -0.879) 6.985 8.533 ( 5.371 -10.213 2.586) 11.825 8.804 ( 1.286 6.067 -0.656) 6.236 8.879 ( 4.314 4.419 1.387) 6.330 9.028 ( 3.618 4.984 -0.003) 6.158 9.123 ( 1.833 4.931 -0.259) 5.267 9.388 ( 0.355 -7.534 0.603) 7.566 9.507 ( 0.229 -5.668 0.134) 5.674 9.606 ( -0.075 6.882 -0.448) 6.897 9.667 ( 1.659 5.055 -0.240) 5.326 9.948 ( -3.263 -3.248 1.939) 4.996 10.027 ( -0.823 -2.177 -1.788) 2.935 10.716 ( -2.971 -8.941 0.312) 9.427 10.779 ( -1.610 -9.465 -0.911) 9.645 10.982 ( -0.542 -0.446 0.210) 0.733 11.088 ( -1.228 3.209 -0.730) 3.512 11.181 ( -2.038 7.259 0.423) 7.551 11.211 ( -2.272 6.369 -0.439) 6.777 11.620 ( -3.374 -5.347 2.804) 6.917 11.633 ( -4.168 -5.562 -3.022) 7.579 11.787 ( -3.929 10.549 0.115) 11.258 11.808 ( -2.090 12.303 -1.145) 12.532 11.892 ( 4.439 -4.311 -2.190) 6.564 11.915 ( 4.317 -2.618 3.034) 5.890 12.207 ( 0.350 -0.034 -0.805) 0.879 12.268 ( 0.258 3.315 0.367) 3.345 12.932 ( -2.607 20.674 -0.017) 20.837 12.985 ( -1.470 19.649 0.091) 19.705 13.337 ( -0.941 8.215 -0.355) 8.276 13.384 ( 0.212 9.713 -0.057) 9.715 13.464 ( -0.747 12.709 0.472) 12.739 13.687 ( -10.643 19.721 -1.637) 22.469 13.986 ( 2.292 -3.550 -0.235) 4.233 14.050 ( 2.260 -0.790 -1.588) 2.873 14.124 ( 3.525 -2.463 1.819) 4.669 14.369 ( -4.509 -2.009 -5.571) 7.443 14.449 ( 1.497 -11.657 -0.660) 11.771 14.542 ( -4.385 -6.873 -2.600) 8.557 14.877 ( 5.187 -12.934 -1.361) 14.002 14.977 ( 4.288 -6.962 0.016) 8.176 15.018 ( 0.065 -11.811 -1.047) 11.857 15.283 ( 11.083 -6.542 12.225) 17.750 15.465 ( 4.331 15.360 0.260) 15.961 15.529 ( 3.528 -7.357 -0.655) 8.185 15.590 ( -1.217 3.338 -0.761) 3.634 15.780 ( 4.113 -3.407 11.714) 12.874 16.282 ( 0.352 -2.320 0.219) 2.356 16.322 ( -0.442 -3.264 -0.188) 3.299 16.554 ( 2.724 -13.779 0.445) 14.053 16.674 ( 1.730 -10.788 -2.708) 11.256 17.100 ( -0.901 2.271 -0.836) 2.583 17.150 ( -0.807 2.289 0.479) 2.474 17.345 ( -3.379 1.553 0.822) 3.808 17.414 ( -1.953 -0.592 -0.188) 2.049 20.251 ( 1.613 0.032 -1.182) 1.999 20.375 ( 0.543 3.703 1.316) 3.967 20.392 ( 1.519 -1.816 -0.848) 2.514 20.554 ( 2.657 0.417 1.084) 2.900 21.413 ( 0.481 -0.920 -0.932) 1.395 21.507 ( 0.686 -1.150 -2.354) 2.709 21.930 ( 0.969 -4.203 -0.036) 4.313 21.964 ( 1.888 -3.371 0.279) 3.874 23.037 ( -4.374 6.871 0.766) 8.181 23.178 ( -3.682 1.622 -0.848) 4.112 23.251 ( -6.823 3.708 -0.172) 7.767 23.301 ( -6.637 2.606 0.302) 7.137 26.990 ( -0.282 11.879 0.020) 11.883 27.269 ( -15.522 21.200 -3.830) 26.552 28.194 ( -1.320 -21.903 -1.754) 22.013 28.466 ( 0.664 -25.240 5.474) 25.835 29.239 ( 1.446 25.422 -4.193) 25.806 29.554 ( 15.681 12.714 11.800) 23.383 30.256 ( 4.397 0.457 -0.222) 4.426 30.877 ( -3.717 -9.784 12.185) 16.063 31.494 ( -9.590 15.302 -3.007) 18.307 31.531 ( -7.692 9.970 -7.553) 14.684 31.555 ( -5.579 6.811 5.810) 10.549 31.803 ( -0.179 -1.200 1.714) 2.101 31.860 ( -0.343 -4.058 3.511) 5.377 32.234 ( -1.628 -10.180 1.057) 10.363 32.281 ( -10.092 -0.516 1.569) 10.226 32.714 ( -3.074 8.186 -1.210) 8.827 32.919 ( -10.504 2.402 4.098) 11.528 33.156 ( -33.514 35.090 -2.807) 48.604 33.605 ( -1.753 -10.429 -1.509) 10.683 33.948 ( -3.208 15.821 -1.102) 16.181 33.997 ( -2.101 8.606 -0.550) 8.876 34.402 ( -7.400 -3.246 0.743) 8.115 34.525 ( -19.321 -5.897 3.556) 20.512 34.929 ( -6.580 -6.261 0.149) 9.084 35.679 ( 3.180 0.110 -0.690) 3.255 35.733 ( 0.920 -0.696 0.171) 1.166 35.752 ( 1.262 -0.206 -2.495) 2.804 35.761 ( 1.587 -0.267 -6.332) 6.533 35.861 ( 3.259 3.053 -4.288) 6.191 36.060 ( 0.897 -1.970 9.380) 9.627 36.191 ( 0.087 1.190 -0.762) 1.415 36.344 ( 1.182 -2.100 -2.217) 3.274 36.406 ( 27.181 2.715 8.015) 28.468 37.258 ( 36.149 -26.803 -23.588) 50.809 38.286 ( 20.813 -7.121 8.971) 23.756 39.102 ( 1.823 -13.032 1.489) 13.243 ======================= Grid point 9 (7/54) ======================= q-point: ( 0.29 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.027 ( 11.563 15.987 -11.875) 23.028 1.527 ( 4.385 46.405 5.587) 46.945 1.760 ( 11.065 16.682 -4.021) 20.418 1.915 ( 1.354 0.676 5.412) 5.619 2.008 ( 3.764 15.200 1.854) 15.769 2.080 ( 1.656 -17.059 6.444) 18.310 2.151 ( 2.566 0.099 3.030) 3.971 2.284 ( 17.163 5.533 -2.528) 18.209 2.356 ( 9.462 -2.323 -1.016) 9.796 2.727 ( 3.287 -5.045 -0.949) 6.095 2.762 ( 10.987 -0.416 -3.477) 11.531 2.784 ( 8.019 -9.052 -3.103) 12.485 2.841 ( 12.422 -7.370 0.979) 14.477 2.991 ( 7.507 8.028 4.714) 11.959 3.128 ( 1.715 -0.225 0.082) 1.732 3.201 ( -3.014 0.902 -0.303) 3.161 3.278 ( 2.372 0.830 -1.448) 2.900 3.299 ( 2.849 1.343 -2.728) 4.167 3.326 ( 6.584 -1.689 3.270) 7.543 3.428 ( 8.927 0.625 -0.791) 8.984 3.517 ( 0.465 0.400 -2.082) 2.170 3.638 ( -3.388 -6.232 2.278) 7.451 3.701 ( 1.415 -1.194 4.234) 4.621 3.815 ( -0.183 4.021 -5.335) 6.683 3.860 ( 3.060 -1.597 -2.937) 4.532 3.926 ( 6.601 -3.341 -1.407) 7.531 3.991 ( -1.535 0.917 -2.107) 2.763 4.077 ( -1.200 8.747 2.051) 9.064 4.333 ( 6.880 -3.847 1.833) 8.093 4.407 ( -0.166 -3.045 -2.211) 3.767 4.501 ( 0.539 -1.220 -1.399) 1.933 4.628 ( -0.075 10.040 -5.877) 11.634 4.751 ( -1.364 7.608 5.408) 9.433 4.791 ( 0.862 -4.271 -0.703) 4.414 4.837 ( 0.395 4.995 -2.129) 5.444 4.902 ( -2.726 -1.178 2.311) 3.763 5.109 ( -2.461 -6.351 -1.895) 7.070 5.175 ( -2.595 -0.700 5.303) 5.945 5.377 ( 1.127 3.761 1.702) 4.280 5.409 ( 2.775 1.941 0.915) 3.508 5.622 ( -1.036 -1.076 -4.952) 5.172 5.696 ( -0.973 2.030 -1.491) 2.700 5.770 ( 0.943 -3.872 3.581) 5.357 5.957 ( -0.014 -2.008 1.091) 2.286 6.624 ( -0.440 1.438 1.416) 2.065 6.840 ( -1.430 -5.277 -1.400) 5.644 7.192 ( -3.240 -7.942 -4.837) 9.847 7.284 ( -0.104 -6.274 2.378) 6.710 7.356 ( -4.260 5.056 0.602) 6.639 7.533 ( 0.008 3.225 1.196) 3.440 7.722 ( 4.123 -3.536 0.284) 5.439 7.851 ( 0.636 -1.532 1.371) 2.152 7.908 ( 4.162 -4.846 -0.870) 6.447 7.964 ( -2.621 -3.409 0.208) 4.305 8.299 ( 0.642 -3.309 -1.481) 3.682 8.615 ( 2.642 -4.218 1.011) 5.079 8.854 ( 3.121 5.325 0.573) 6.199 8.969 ( 3.132 1.573 0.847) 3.606 9.100 ( 3.040 6.959 -0.326) 7.601 9.178 ( 3.205 4.380 0.049) 5.428 9.393 ( 0.057 -7.346 0.757) 7.385 9.513 ( 0.182 -5.396 0.350) 5.411 9.606 ( 0.042 7.763 -0.751) 7.799 9.695 ( 0.960 5.139 0.005) 5.228 9.920 ( 0.240 -5.959 3.121) 6.731 10.016 ( 0.103 -5.021 -2.549) 5.632 10.667 ( -1.380 -7.867 0.827) 8.030 10.729 ( -2.556 -4.589 -1.517) 5.467 10.969 ( -0.550 -2.480 -0.086) 2.542 11.074 ( -0.512 0.476 -0.430) 0.821 11.136 ( -2.151 6.036 0.984) 6.483 11.171 ( -1.154 4.755 -0.550) 4.923 11.541 ( -3.804 -5.541 1.898) 6.984 11.550 ( -3.249 -4.655 -1.758) 5.943 11.723 ( -2.034 11.044 -0.791) 11.258 11.771 ( -1.272 12.936 -0.439) 13.006 11.994 ( 4.439 -5.096 -0.700) 6.794 12.000 ( 3.454 -4.515 1.760) 5.951 12.216 ( 0.620 0.570 -0.467) 0.963 12.269 ( -0.192 3.465 0.379) 3.491 12.894 ( -1.097 20.468 0.647) 20.508 12.948 ( -1.763 19.398 -0.181) 19.478 13.321 ( -0.401 7.695 -0.055) 7.706 13.385 ( -0.159 9.673 -0.268) 9.678 13.453 ( -0.518 12.512 0.563) 12.536 13.557 ( -3.190 21.124 0.132) 21.364 14.021 ( 1.129 -3.606 -0.549) 3.818 14.101 ( 2.187 -1.437 -0.914) 2.772 14.187 ( 1.561 -5.451 -0.283) 5.678 14.245 ( -5.039 1.055 -1.861) 5.474 14.499 ( 2.642 -9.931 -0.792) 10.307 14.532 ( 1.310 -13.150 -0.331) 13.219 15.001 ( 3.461 -11.846 1.031) 12.385 15.038 ( 4.510 -9.323 -4.067) 11.126 15.077 ( 4.550 -3.349 -0.292) 5.657 15.422 ( 2.767 -3.815 4.137) 6.271 15.568 ( 0.559 -7.545 -1.643) 7.742 15.583 ( 6.122 11.813 -0.238) 13.307 15.647 ( 6.448 6.466 0.715) 9.160 15.871 ( 3.215 -8.217 7.419) 11.528 16.295 ( 0.699 -3.165 -0.020) 3.241 16.313 ( -0.326 -2.988 -0.110) 3.008 16.624 ( 3.516 -13.116 0.197) 13.580 16.700 ( 1.122 -10.420 -1.097) 10.538 17.071 ( -1.697 1.945 0.025) 2.582 17.126 ( -1.343 1.281 0.280) 1.877 17.287 ( -2.337 1.730 0.708) 2.993 17.361 ( -2.831 -0.002 -0.099) 2.833 20.292 ( 2.182 -0.117 -1.731) 2.787 20.408 ( 2.147 3.663 1.361) 4.458 20.431 ( 1.986 -2.291 -1.147) 3.242 20.625 ( 3.796 -0.059 1.965) 4.275 21.373 ( -2.974 -0.320 0.727) 3.078 21.508 ( -0.753 -2.867 -2.972) 4.198 21.953 ( 1.128 -3.528 -0.726) 3.775 22.018 ( 3.105 -2.721 1.097) 4.272 22.929 ( -5.543 8.541 1.016) 10.233 23.074 ( -5.985 1.040 -0.644) 6.109 23.137 ( -6.609 1.862 0.295) 6.873 23.157 ( -3.544 0.509 -0.211) 3.586 26.984 ( -0.282 11.213 -0.122) 11.217 27.079 ( -4.687 16.805 -0.728) 17.462 28.168 ( -1.142 -23.238 -1.166) 23.295 28.422 ( -3.257 -25.188 1.685) 25.454 29.264 ( 0.930 26.518 -5.021) 27.005 29.768 ( 3.918 18.222 10.455) 21.370 30.353 ( 4.259 -1.163 -0.591) 4.454 30.788 ( -2.895 6.891 7.073) 10.290 31.346 ( -1.305 13.526 -1.630) 13.687 31.388 ( -5.942 0.936 -5.888) 8.417 31.493 ( -2.559 2.847 6.076) 7.181 31.798 ( -0.157 -0.842 0.822) 1.187 31.877 ( 1.321 -4.767 3.882) 6.288 32.151 ( -2.882 -8.592 1.062) 9.125 32.208 ( -1.628 -9.745 -0.052) 9.880 32.569 ( -11.959 -5.750 -4.989) 14.176 32.755 ( -4.566 9.508 -0.313) 10.553 32.839 ( -5.624 21.910 -0.130) 22.621 33.563 ( -2.158 -11.232 -1.893) 11.593 33.888 ( -2.634 12.154 -0.198) 12.438 33.953 ( -1.934 7.650 -0.145) 7.892 34.084 ( -13.256 -6.727 2.866) 15.139 34.381 ( -2.770 -2.560 0.747) 3.845 34.819 ( -4.506 -6.910 0.049) 8.249 35.707 ( 0.656 0.120 1.820) 1.938 35.751 ( 0.652 -1.103 -1.145) 1.719 35.779 ( 1.402 0.160 -0.486) 1.493 35.791 ( 1.586 0.053 -2.641) 3.081 35.927 ( 3.124 1.980 -3.727) 5.251 36.066 ( -0.733 -1.432 3.227) 3.605 36.194 ( 0.395 1.289 0.088) 1.351 36.312 ( -2.177 -0.952 -0.763) 2.496 37.006 ( 25.394 4.403 4.187) 26.111 37.684 ( 12.538 -8.840 -12.414) 19.734 38.656 ( 14.479 -6.132 3.906) 16.202 39.145 ( 1.634 -10.088 2.108) 10.435 ======================= Grid point 10 (8/54) ======================= q-point: ( 0.43 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.191 ( 4.129 10.784 -5.036) 12.598 1.548 ( -0.782 40.774 0.821) 40.790 1.860 ( -0.573 -0.811 2.548) 2.734 1.959 ( 4.068 20.410 -4.299) 21.251 2.046 ( 1.412 -0.721 -0.886) 1.816 2.112 ( -0.435 -4.483 6.595) 7.986 2.149 ( -0.450 9.215 1.743) 9.390 2.310 ( -0.354 -7.375 -1.448) 7.524 2.739 ( 8.437 -4.005 1.862) 9.523 2.799 ( 5.529 -1.709 1.473) 5.972 2.824 ( 1.245 -5.751 -2.198) 6.281 2.909 ( 2.341 -2.944 0.812) 3.848 2.993 ( 2.002 -2.507 -1.066) 3.380 3.074 ( -2.698 -0.913 -2.485) 3.780 3.110 ( 0.324 0.729 -0.474) 0.928 3.168 ( 0.831 -4.114 0.793) 4.271 3.309 ( 2.803 6.715 5.694) 9.240 3.361 ( -0.606 4.597 -2.505) 5.270 3.386 ( 1.671 3.077 -3.306) 4.815 3.516 ( 2.480 -8.633 3.252) 9.553 3.591 ( 1.501 -5.512 1.341) 5.868 3.656 ( -0.981 2.928 -2.380) 3.898 3.769 ( 2.957 4.420 1.543) 5.537 3.811 ( 0.808 7.798 -3.683) 8.662 3.873 ( -0.148 -2.064 -1.218) 2.401 3.919 ( 0.148 0.278 -1.256) 1.295 4.008 ( 1.447 2.549 0.451) 2.966 4.281 ( 10.723 1.872 2.282) 11.122 4.410 ( 1.141 -3.335 -1.039) 3.675 4.439 ( 1.212 -2.689 1.067) 3.137 4.489 ( -0.877 -2.787 -0.818) 3.034 4.638 ( 0.775 13.554 -5.334) 14.586 4.705 ( -1.925 6.731 4.390) 8.263 4.792 ( -0.554 -6.441 -1.319) 6.598 4.853 ( 0.833 2.647 -2.313) 3.613 4.868 ( -0.589 -0.443 1.985) 2.118 5.081 ( -0.203 -5.480 -0.364) 5.496 5.130 ( -1.666 -0.822 2.554) 3.158 5.388 ( 0.263 2.414 0.286) 2.445 5.459 ( 1.163 4.797 0.475) 4.958 5.602 ( -0.456 -0.796 -1.930) 2.137 5.691 ( 0.477 2.432 -0.574) 2.544 5.803 ( 1.081 -5.647 1.296) 5.894 5.960 ( 0.089 -3.314 0.785) 3.407 6.619 ( -0.097 -0.569 0.797) 0.984 6.813 ( -0.864 -5.666 -0.569) 5.759 7.125 ( -2.052 -6.527 -2.061) 7.146 7.280 ( -0.517 -6.419 0.927) 6.506 7.286 ( -1.835 4.544 -0.006) 4.901 7.535 ( 0.094 4.056 0.610) 4.103 7.785 ( 1.557 -3.282 0.184) 3.638 7.867 ( 1.014 -2.622 1.534) 3.202 7.905 ( -2.203 -1.349 -1.287) 2.886 7.970 ( 1.404 -6.600 0.172) 6.749 8.309 ( 0.367 -1.096 -0.827) 1.421 8.652 ( 0.897 -3.252 0.350) 3.391 8.912 ( 1.915 3.742 0.859) 4.290 8.999 ( 0.150 3.484 -0.498) 3.522 9.148 ( 1.316 7.074 -0.135) 7.197 9.235 ( 1.760 5.220 0.137) 5.510 9.393 ( -0.034 -7.338 0.288) 7.344 9.513 ( -0.135 -3.987 0.220) 3.996 9.607 ( 0.133 7.455 -0.352) 7.464 9.705 ( 0.053 6.441 0.073) 6.442 9.938 ( 0.748 -6.031 1.526) 6.266 10.021 ( 0.297 -8.327 -1.235) 8.423 10.661 ( 0.482 -5.131 1.262) 5.306 10.686 ( -1.432 -2.868 -1.532) 3.553 10.961 ( -0.210 -4.319 -0.134) 4.327 11.058 ( -0.688 0.398 -0.214) 0.824 11.101 ( -1.025 5.096 0.360) 5.210 11.166 ( 0.203 1.683 -0.029) 1.695 11.484 ( -1.521 -5.755 0.378) 5.965 11.504 ( -1.106 -4.557 -0.332) 4.701 11.695 ( -0.675 10.806 -0.352) 10.833 11.755 ( -0.341 12.531 -0.054) 12.535 12.044 ( 1.018 -3.987 0.444) 4.139 12.065 ( 1.822 -7.095 -0.117) 7.326 12.230 ( 0.524 1.350 -0.038) 1.449 12.263 ( -0.255 3.680 0.135) 3.692 12.881 ( -0.307 19.406 0.323) 19.412 12.921 ( -0.755 18.986 -0.143) 19.002 13.319 ( 0.066 7.402 0.133) 7.404 13.379 ( -0.238 9.770 -0.201) 9.775 13.443 ( -0.378 12.282 0.064) 12.288 13.521 ( -0.717 20.886 0.315) 20.901 14.035 ( 0.293 -3.526 -0.313) 3.552 14.130 ( 0.701 -1.583 -0.551) 1.817 14.151 ( -1.862 0.183 -1.083) 2.162 14.226 ( 0.451 -7.684 0.854) 7.744 14.539 ( 1.073 -8.774 -0.303) 8.845 14.560 ( 0.935 -12.465 -0.084) 12.500 15.025 ( 0.470 -8.966 0.026) 8.978 15.126 ( 1.927 -5.005 -0.974) 5.451 15.164 ( 3.093 -7.124 -0.442) 7.779 15.450 ( 0.447 -5.517 0.600) 5.567 15.566 ( -0.164 -8.859 -0.575) 8.880 15.689 ( 3.116 12.171 -0.029) 12.563 15.782 ( 4.782 10.208 0.780) 11.299 15.902 ( -0.262 -12.146 1.766) 12.276 16.306 ( 0.321 -3.558 0.200) 3.578 16.310 ( -0.081 -2.856 -0.251) 2.868 16.681 ( 1.591 -11.843 -0.109) 11.950 16.721 ( 0.720 -9.681 -0.106) 9.708 17.043 ( -0.798 1.328 0.333) 1.585 17.102 ( -0.808 0.414 0.008) 0.908 17.251 ( -0.998 1.611 0.293) 1.918 17.313 ( -1.400 0.358 -0.048) 1.446 20.327 ( 1.003 -0.092 -0.820) 1.298 20.448 ( 1.185 4.342 0.885) 4.587 20.462 ( 0.863 -2.897 -0.855) 3.141 20.692 ( 1.987 -0.443 1.025) 2.279 21.323 ( -1.463 -0.382 0.445) 1.576 21.485 ( -0.879 -4.210 -1.180) 4.460 21.972 ( 0.594 -3.102 -0.370) 3.180 22.076 ( 1.864 -2.644 0.607) 3.291 22.829 ( -3.213 8.003 -0.114) 8.625 22.987 ( -1.708 1.671 0.758) 2.507 23.016 ( -3.808 2.921 -0.321) 4.810 23.123 ( -0.672 -0.221 -0.236) 0.746 26.980 ( -0.047 10.696 -0.104) 10.697 27.024 ( -1.151 13.657 -0.041) 13.705 28.149 ( -0.534 -23.456 -0.421) 23.466 28.370 ( -1.406 -25.097 0.400) 25.140 29.270 ( 0.071 26.809 -2.132) 26.893 29.786 ( -0.744 25.208 3.767) 25.499 30.414 ( 1.516 -3.309 -0.541) 3.680 30.781 ( 0.608 5.146 1.490) 5.392 31.264 ( -3.073 2.419 -2.058) 4.420 31.385 ( 1.136 3.256 1.437) 3.736 31.469 ( 0.044 3.379 2.127) 3.993 31.797 ( -0.006 -0.531 0.234) 0.580 31.904 ( 0.798 -5.413 1.752) 5.745 32.121 ( -0.272 -10.383 1.285) 10.466 32.158 ( -3.196 -8.723 -2.237) 9.556 32.348 ( -5.592 -10.037 -2.319) 11.721 32.704 ( -0.985 11.066 -0.214) 11.112 32.786 ( -0.889 20.188 0.366) 20.211 33.526 ( -1.032 -11.220 -0.848) 11.299 33.842 ( -1.621 4.389 0.240) 4.685 33.915 ( -2.234 0.503 1.289) 2.628 33.932 ( -1.592 6.156 -0.536) 6.381 34.344 ( -0.910 -2.388 0.285) 2.571 34.750 ( -1.832 -7.067 0.039) 7.300 35.719 ( 0.323 0.237 1.169) 1.236 35.755 ( -0.031 -0.636 -1.012) 1.196 35.804 ( 0.756 0.175 0.149) 0.790 35.816 ( 0.724 -0.060 -0.814) 1.091 35.984 ( 2.477 0.502 -2.734) 3.723 36.038 ( -1.895 -0.875 2.259) 3.075 36.211 ( 1.175 1.053 0.431) 1.636 36.264 ( -2.064 0.166 -0.520) 2.136 37.390 ( 10.253 3.779 1.918) 11.094 37.834 ( 3.062 -4.612 -4.450) 7.102 38.892 ( 7.241 -3.557 0.744) 8.102 39.153 ( -0.797 -7.202 1.208) 7.346 ======================= Grid point 14 (9/54) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( 0.000 23.943 0.000) 23.943 1.340 ( 0.000 26.440 0.000) 26.440 1.342 ( 0.000 -13.239 0.000) 13.239 1.567 ( 0.000 0.471 0.000) 0.471 1.585 ( 0.000 -5.069 0.000) 5.069 1.718 ( 0.000 -9.409 0.000) 9.409 1.932 ( 0.000 4.296 0.000) 4.296 2.074 ( 0.000 -8.840 0.000) 8.840 2.231 ( 0.000 9.981 0.000) 9.981 2.350 ( 0.000 -0.401 0.000) 0.401 2.575 ( 0.000 10.525 0.000) 10.525 2.627 ( 0.000 -2.658 0.000) 2.658 2.738 ( 0.000 10.428 0.000) 10.428 2.865 ( 0.000 7.619 0.000) 7.619 3.051 ( 0.000 -8.295 0.000) 8.295 3.159 ( 0.000 -12.497 0.000) 12.497 3.273 ( 0.000 13.511 0.000) 13.511 3.321 ( 0.000 6.047 0.000) 6.047 3.362 ( 0.000 6.890 0.000) 6.890 3.417 ( 0.000 5.204 0.000) 5.204 3.444 ( 0.000 -1.563 0.000) 1.563 3.532 ( 0.000 -1.310 0.000) 1.310 3.617 ( 0.000 -9.958 0.000) 9.958 3.643 ( 0.000 -3.112 0.000) 3.112 3.777 ( 0.000 0.594 0.000) 0.594 3.859 ( 0.000 -6.990 0.000) 6.990 4.119 ( 0.000 5.857 0.000) 5.857 4.198 ( 0.000 4.319 0.000) 4.319 4.324 ( 0.000 -6.997 0.000) 6.997 4.346 ( 0.000 -2.506 0.000) 2.506 4.599 ( 0.000 7.253 0.000) 7.253 4.608 ( 0.000 10.432 0.000) 10.432 4.889 ( 0.000 7.236 0.000) 7.236 4.891 ( 0.000 -2.611 0.000) 2.611 4.926 ( 0.000 -5.247 0.000) 5.247 4.971 ( 0.000 4.382 0.000) 4.382 5.108 ( 0.000 -2.385 0.000) 2.385 5.158 ( 0.000 -11.684 0.000) 11.684 5.344 ( 0.000 1.296 0.000) 1.296 5.438 ( 0.000 -5.733 0.000) 5.733 5.494 ( 0.000 3.958 0.000) 3.958 5.643 ( 0.000 -6.755 0.000) 6.755 5.856 ( 0.000 3.586 0.000) 3.586 5.951 ( 0.000 -2.962 0.000) 2.962 6.749 ( 0.000 -1.499 0.000) 1.499 6.758 ( 0.000 0.276 0.000) 0.276 7.150 ( 0.000 -0.769 0.000) 0.769 7.182 ( 0.000 -3.018 0.000) 3.018 7.541 ( 0.000 -0.073 0.000) 0.073 7.554 ( 0.000 -1.406 0.000) 1.406 7.650 ( 0.000 9.126 0.000) 9.126 7.712 ( 0.000 1.853 0.000) 1.853 7.859 ( 0.000 3.296 0.000) 3.296 7.869 ( 0.000 1.562 0.000) 1.562 8.055 ( 0.000 -10.119 0.000) 10.119 8.127 ( 0.000 -16.368 0.000) 16.368 8.975 ( 0.000 9.981 0.000) 9.981 9.028 ( 0.000 6.826 0.000) 6.826 9.059 ( 0.000 2.643 0.000) 2.643 9.170 ( 0.000 -5.476 0.000) 5.476 9.234 ( 0.000 0.988 0.000) 0.988 9.362 ( 0.000 -7.557 0.000) 7.557 9.739 ( 0.000 4.288 0.000) 4.288 9.752 ( 0.000 3.076 0.000) 3.076 10.029 ( 0.000 3.779 0.000) 3.779 10.036 ( 0.000 3.362 0.000) 3.362 10.478 ( 0.000 -12.552 0.000) 12.552 10.481 ( 0.000 -12.817 0.000) 12.817 11.120 ( 0.000 7.561 0.000) 7.561 11.190 ( 0.000 1.841 0.000) 1.841 11.376 ( 0.000 6.126 0.000) 6.126 11.381 ( 0.000 7.882 0.000) 7.882 11.516 ( 0.000 -6.669 0.000) 6.669 11.535 ( 0.000 -7.106 0.000) 7.106 11.793 ( 0.000 -1.484 0.000) 1.484 11.797 ( 0.000 -2.036 0.000) 2.036 12.028 ( 0.000 7.005 0.000) 7.005 12.077 ( 0.000 9.758 0.000) 9.758 12.152 ( 0.000 -3.787 0.000) 3.787 12.244 ( 0.000 -4.948 0.000) 4.948 13.413 ( 0.000 18.676 0.000) 18.676 13.452 ( 0.000 15.973 0.000) 15.973 13.610 ( 0.000 15.964 0.000) 15.964 13.652 ( 0.000 14.194 0.000) 14.194 13.835 ( 0.000 21.011 0.000) 21.011 13.882 ( 0.000 0.029 0.000) 0.029 13.900 ( 0.000 -0.493 0.000) 0.493 14.009 ( 0.000 -5.946 0.000) 5.946 14.074 ( 0.000 -4.683 0.000) 4.683 14.128 ( 0.000 -6.946 0.000) 6.946 14.163 ( 0.000 -11.660 0.000) 11.660 14.396 ( 0.000 -26.258 0.000) 26.258 14.569 ( 0.000 -13.222 0.000) 13.222 14.648 ( 0.000 -15.344 0.000) 15.344 14.819 ( 0.000 -0.567 0.000) 0.567 14.849 ( 0.000 -3.471 0.000) 3.471 15.504 ( 0.000 1.917 0.000) 1.917 15.551 ( 0.000 -2.955 0.000) 2.955 15.766 ( 0.000 16.756 0.000) 16.756 15.948 ( 0.000 8.540 0.000) 8.540 16.202 ( 0.000 -13.285 0.000) 13.285 16.230 ( 0.000 -6.066 0.000) 6.066 16.275 ( 0.000 2.138 0.000) 2.138 16.414 ( 0.000 -11.009 0.000) 11.009 17.172 ( 0.000 2.952 0.000) 2.952 17.201 ( 0.000 0.675 0.000) 0.675 17.381 ( 0.000 -0.293 0.000) 0.293 17.400 ( 0.000 -1.673 0.000) 1.673 20.257 ( 0.000 1.954 0.000) 1.954 20.310 ( 0.000 -3.004 0.000) 3.004 20.470 ( 0.000 3.477 0.000) 3.477 20.519 ( 0.000 -1.231 0.000) 1.231 21.448 ( 0.000 4.281 0.000) 4.281 21.503 ( 0.000 -0.758 0.000) 0.758 21.836 ( 0.000 -2.828 0.000) 2.828 21.844 ( 0.000 -3.673 0.000) 3.673 23.204 ( 0.000 4.469 0.000) 4.469 23.250 ( 0.000 0.035 0.000) 0.035 23.436 ( 0.000 2.258 0.000) 2.258 23.438 ( 0.000 1.974 0.000) 1.974 27.310 ( 0.000 16.860 0.000) 16.860 27.608 ( 0.000 -7.740 0.000) 7.740 27.960 ( 0.000 -3.676 0.000) 3.676 28.074 ( 0.000 -10.543 0.000) 10.543 29.677 ( 0.000 17.217 0.000) 17.217 29.733 ( 0.000 16.056 0.000) 16.056 30.197 ( 0.000 0.435 0.000) 0.435 30.466 ( 0.000 -21.536 0.000) 21.536 31.557 ( 0.000 3.100 0.000) 3.100 31.653 ( 0.000 -3.316 0.000) 3.316 31.774 ( 0.000 4.698 0.000) 4.698 31.788 ( 0.000 0.420 0.000) 0.420 31.848 ( 0.000 1.088 0.000) 1.088 32.017 ( 0.000 -11.186 0.000) 11.186 32.548 ( 0.000 8.680 0.000) 8.680 32.748 ( 0.000 -9.154 0.000) 9.154 33.096 ( 0.000 12.131 0.000) 12.131 33.368 ( 0.000 -12.982 0.000) 12.982 34.170 ( 0.000 6.963 0.000) 6.963 34.232 ( 0.000 8.879 0.000) 8.879 34.369 ( 0.000 1.469 0.000) 1.469 34.600 ( 0.000 -12.419 0.000) 12.419 34.988 ( 0.000 4.271 0.000) 4.271 35.074 ( 0.000 -3.752 0.000) 3.752 35.510 ( 0.000 -0.130 0.000) 0.130 35.513 ( 0.000 -0.430 0.000) 0.430 35.732 ( 0.000 0.200 0.000) 0.200 35.737 ( 0.000 -0.261 0.000) 0.261 35.902 ( 0.000 3.797 0.000) 3.797 35.943 ( 0.000 -0.016 0.000) 0.016 36.027 ( 0.000 -0.105 0.000) 0.105 36.054 ( 0.000 -2.518 0.000) 2.518 36.237 ( 0.000 2.781 0.000) 2.781 36.306 ( 0.000 -3.566 0.000) 3.566 38.289 ( 0.000 17.957 0.000) 17.957 38.703 ( 0.000 -20.630 0.000) 20.630 ======================= Grid point 15 (10/54) ======================= q-point: ( 0.14 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.309 ( 7.099 21.869 -6.530) 23.902 1.473 ( 30.214 11.160 -4.729) 32.554 1.655 ( 7.113 1.747 -1.241) 7.429 1.727 ( 11.571 -6.245 3.017) 13.491 1.771 ( 8.132 -4.338 1.868) 9.404 1.883 ( 25.370 -10.582 -2.389) 27.592 2.098 ( 10.310 0.275 -1.338) 10.400 2.172 ( 10.981 -6.445 -1.986) 12.887 2.325 ( 10.838 7.246 -4.346) 13.742 2.395 ( 8.371 3.961 2.321) 9.547 2.596 ( -2.296 -4.406 -3.034) 5.822 2.625 ( 4.316 4.991 9.942) 11.932 2.754 ( 1.926 16.031 -0.637) 16.158 2.925 ( 7.209 7.005 1.187) 10.121 3.061 ( 2.331 -4.329 0.679) 4.963 3.176 ( 0.949 -9.689 2.670) 10.095 3.279 ( -0.520 14.020 -3.023) 14.352 3.343 ( -0.664 3.802 0.298) 3.871 3.357 ( -0.094 5.239 0.198) 5.244 3.400 ( 2.890 6.291 0.742) 6.962 3.477 ( -1.924 -2.393 0.290) 3.084 3.529 ( 4.053 -3.267 5.763) 7.766 3.607 ( 1.089 -5.541 -1.340) 5.804 3.703 ( 2.966 -7.600 2.636) 8.573 3.763 ( 0.140 2.605 -0.524) 2.661 3.867 ( 1.030 -6.618 -3.355) 7.491 4.062 ( -3.295 6.821 -1.664) 7.755 4.209 ( -0.193 -0.797 -0.270) 0.864 4.294 ( -1.350 0.200 3.312) 3.582 4.379 ( 1.024 -4.453 -2.611) 5.263 4.583 ( -0.871 5.513 2.775) 6.233 4.606 ( -0.975 9.125 -3.669) 9.883 4.821 ( -3.648 -3.988 -0.719) 5.452 4.878 ( -3.489 -1.409 -2.883) 4.740 4.901 ( -1.461 -0.188 -2.028) 2.507 4.971 ( -0.420 4.239 2.757) 5.074 5.075 ( -1.978 -2.496 -2.136) 3.835 5.151 ( -0.537 -7.240 5.137) 8.893 5.356 ( 1.377 1.647 0.731) 2.268 5.433 ( -0.042 -2.495 -1.987) 3.190 5.532 ( 3.063 0.984 0.976) 3.362 5.637 ( -0.538 -5.424 -2.186) 5.872 5.847 ( -0.772 4.967 1.058) 5.136 5.941 ( -0.918 -2.521 1.194) 2.937 6.712 ( -1.948 2.460 0.275) 3.150 6.772 ( -0.344 -2.846 -1.218) 3.115 7.114 ( -1.995 -1.095 -1.826) 2.918 7.177 ( -1.641 -5.603 -0.250) 5.844 7.547 ( -0.680 1.109 0.388) 1.357 7.556 ( 0.208 0.293 0.930) 0.997 7.632 ( 0.519 6.272 -0.653) 6.327 7.743 ( 1.812 -2.305 0.042) 2.932 7.865 ( 0.682 4.130 1.020) 4.309 7.935 ( 3.113 0.214 0.597) 3.177 8.088 ( 3.827 -7.822 -0.963) 8.762 8.206 ( 6.567 -15.848 2.200) 17.295 8.986 ( 1.154 10.161 0.033) 10.226 9.069 ( 3.719 8.108 0.094) 8.921 9.118 ( 4.954 2.646 0.368) 5.628 9.187 ( 1.503 -6.154 1.052) 6.421 9.241 ( 0.570 1.180 -0.683) 1.478 9.363 ( 0.076 -7.533 0.035) 7.533 9.748 ( 0.840 3.951 0.292) 4.050 9.762 ( 0.654 2.129 -0.617) 2.311 9.961 ( -4.145 6.419 -0.227) 7.644 10.035 ( -0.813 2.912 -0.767) 3.119 10.426 ( -3.396 -12.421 -0.207) 12.878 10.474 ( -1.239 -14.325 -0.705) 14.396 11.110 ( -1.057 7.522 0.110) 7.597 11.180 ( -0.972 2.015 -0.084) 2.239 11.344 ( -2.676 7.292 -0.531) 7.786 11.348 ( -2.840 6.795 0.718) 7.399 11.485 ( -3.342 -6.784 1.419) 7.695 11.496 ( -2.749 -7.034 -1.307) 7.665 11.824 ( 2.697 -1.665 0.538) 3.215 11.826 ( 2.464 -1.824 -0.434) 3.096 12.011 ( -1.284 8.051 -0.757) 8.188 12.073 ( -0.556 10.717 0.828) 10.764 12.148 ( 0.079 -5.001 -0.710) 5.052 12.245 ( 0.111 -5.301 0.615) 5.338 13.404 ( -0.896 20.453 0.867) 20.491 13.458 ( 0.121 18.025 0.026) 18.026 13.590 ( -1.646 14.970 -0.600) 15.072 13.639 ( -1.132 13.178 -0.226) 13.228 13.771 ( -2.855 14.678 0.523) 14.963 13.889 ( -0.753 2.809 -0.081) 2.909 13.924 ( 1.207 -2.147 0.888) 2.618 14.015 ( -0.298 -9.197 -0.092) 9.203 14.035 ( -0.479 -2.457 -1.379) 2.858 14.150 ( -0.598 -13.456 -0.174) 13.471 14.221 ( 5.847 -4.312 0.773) 7.306 14.373 ( -2.529 -16.429 -2.844) 16.864 14.598 ( 4.502 -10.120 -0.373) 11.082 14.691 ( 3.588 -15.174 -2.849) 15.851 14.869 ( 6.558 3.237 0.319) 7.320 15.058 ( 13.505 -12.203 5.698) 19.072 15.480 ( -2.211 1.681 0.937) 2.931 15.533 ( -1.631 -3.530 -1.186) 4.065 15.812 ( 4.290 17.045 -0.039) 17.577 15.978 ( 2.814 11.741 -0.602) 12.088 16.219 ( 1.532 -13.920 0.684) 14.020 16.233 ( 0.283 -5.618 -0.317) 5.635 16.261 ( -0.490 0.445 -0.032) 0.663 16.413 ( 0.056 -12.946 -1.452) 13.028 17.157 ( -1.387 2.646 -0.104) 2.990 17.186 ( -1.499 0.377 0.395) 1.595 17.360 ( -1.727 0.809 0.479) 1.966 17.389 ( -1.283 -1.676 0.079) 2.112 20.271 ( 1.353 1.904 -0.525) 2.394 20.324 ( 1.319 -3.058 -0.029) 3.331 20.476 ( 0.940 4.171 0.533) 4.309 20.540 ( 1.937 -1.875 0.771) 2.804 21.442 ( -1.318 2.667 0.625) 3.040 21.486 ( -1.422 -1.259 -0.818) 2.067 21.852 ( 1.729 -1.970 0.362) 2.646 21.876 ( 2.692 -3.802 -0.173) 4.662 23.171 ( -2.952 4.819 0.289) 5.659 23.214 ( -2.994 0.550 -0.211) 3.051 23.326 ( -8.896 2.760 -0.110) 9.315 23.346 ( -8.112 0.966 0.072) 8.169 27.302 ( -0.749 16.770 0.169) 16.787 27.557 ( -4.837 1.714 -0.816) 5.196 27.842 ( -6.846 -5.756 -2.046) 9.175 28.042 ( -4.148 -16.584 0.815) 17.115 29.717 ( 3.240 19.015 -4.437) 19.793 29.866 ( 10.103 10.140 2.757) 14.577 30.244 ( 4.192 2.022 1.117) 4.786 30.529 ( 5.087 -19.527 7.124) 21.400 31.524 ( -3.256 3.142 0.640) 4.569 31.611 ( -3.957 -2.163 4.810) 6.593 31.762 ( -0.845 3.347 -1.839) 3.912 31.790 ( 0.083 0.290 -0.001) 0.301 31.844 ( -0.362 3.060 -0.271) 3.093 32.009 ( -0.535 -10.744 0.216) 10.759 32.403 ( -13.911 10.758 -0.869) 17.607 32.642 ( -10.369 -10.831 -3.018) 15.295 33.065 ( -2.695 12.872 -0.787) 13.175 33.341 ( -2.563 -12.881 -1.194) 13.187 33.867 ( -37.339 24.961 5.832) 45.291 34.152 ( -2.501 7.415 0.843) 7.870 34.206 ( -12.790 -3.336 1.634) 13.318 34.304 ( -19.490 -7.684 4.202) 21.367 34.455 ( -7.455 9.523 -2.625) 12.376 34.734 ( -8.704 -12.374 -1.068) 15.166 35.688 ( 2.654 0.816 -1.108) 2.990 35.711 ( 1.446 -1.256 -0.995) 2.158 35.750 ( 1.650 0.093 -3.169) 3.574 35.755 ( 1.651 -0.284 -2.953) 3.395 35.935 ( 2.406 3.751 -0.178) 4.460 36.007 ( 1.699 -3.054 5.273) 6.326 36.228 ( 0.525 2.386 -3.193) 4.021 36.287 ( 0.589 -3.073 -4.799) 5.729 36.510 ( 34.369 7.876 4.739) 35.577 36.765 ( 42.798 -17.663 -4.493) 46.517 38.406 ( 10.396 13.921 1.995) 17.488 38.759 ( 5.109 -18.409 1.120) 19.138 ======================= Grid point 16 (11/54) ======================= q-point: ( 0.29 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.401 ( 4.191 17.780 -8.052) 19.963 1.688 ( -1.041 -5.160 -5.308) 7.476 1.731 ( 0.897 -9.035 0.888) 9.123 1.800 ( -1.167 -7.205 3.415) 8.059 2.144 ( 8.941 3.549 -3.415) 10.207 2.181 ( 3.006 0.714 -2.613) 4.046 2.337 ( 18.219 6.999 3.847) 19.893 2.431 ( 9.269 1.004 -0.076) 9.323 2.553 ( 2.370 -4.500 0.362) 5.099 2.617 ( 16.088 -4.352 -0.645) 16.679 2.704 ( 10.090 2.741 2.256) 10.696 2.747 ( 7.031 -2.556 -1.069) 7.558 2.824 ( 3.416 23.683 -2.178) 24.027 3.130 ( 5.713 5.826 2.936) 8.672 3.153 ( -1.488 -1.746 0.376) 2.324 3.221 ( 5.595 -5.173 -3.772) 8.502 3.244 ( 1.714 9.462 2.642) 9.972 3.321 ( 2.549 2.567 0.870) 3.720 3.408 ( 4.826 6.616 2.221) 8.485 3.439 ( 0.711 -2.892 2.350) 3.794 3.518 ( 4.826 3.293 0.089) 5.843 3.617 ( 3.590 0.014 8.228) 8.977 3.676 ( 4.691 1.389 1.275) 5.056 3.773 ( 5.768 -4.350 -0.725) 7.261 3.833 ( 4.648 -1.392 -1.799) 5.175 3.895 ( 3.088 -3.137 -7.600) 8.783 4.048 ( 2.379 4.823 0.894) 5.452 4.215 ( 2.364 -6.204 2.384) 7.054 4.260 ( -2.061 4.614 1.835) 5.376 4.370 ( -1.089 -3.058 -2.452) 4.067 4.554 ( -2.771 1.513 -3.382) 4.627 4.577 ( -0.829 3.177 1.770) 3.730 4.748 ( -3.744 -8.098 2.933) 9.391 4.786 ( -3.680 -8.866 -7.054) 11.912 4.885 ( 0.008 6.007 -2.924) 6.681 4.948 ( -1.680 2.665 3.103) 4.422 5.062 ( 0.997 2.209 -1.728) 2.976 5.148 ( -0.201 -3.276 7.193) 7.907 5.405 ( 3.043 1.539 0.125) 3.413 5.448 ( 1.762 0.994 -1.642) 2.605 5.591 ( 1.636 -1.506 -1.722) 2.813 5.623 ( 0.019 -4.533 -0.932) 4.628 5.826 ( -1.221 6.095 0.875) 6.277 5.919 ( -1.370 -2.435 1.665) 3.253 6.672 ( -1.930 2.840 0.618) 3.489 6.741 ( -2.192 -3.593 -1.408) 4.438 7.068 ( -2.368 -2.123 -2.204) 3.869 7.132 ( -1.975 -6.936 0.148) 7.214 7.494 ( -3.247 6.389 -0.156) 7.168 7.562 ( 0.129 -0.629 0.492) 0.809 7.687 ( 3.415 1.512 0.526) 3.771 7.776 ( 0.820 -4.950 1.157) 5.149 7.883 ( 1.284 2.966 -0.091) 3.233 7.953 ( -0.392 -0.671 -0.698) 1.044 8.183 ( 4.075 -2.816 -0.706) 5.004 8.338 ( 4.817 -15.195 0.991) 15.971 9.020 ( 1.845 9.576 0.562) 9.768 9.150 ( 3.070 9.609 0.517) 10.100 9.217 ( 1.528 -6.162 1.124) 6.448 9.235 ( 4.422 2.037 0.849) 4.942 9.267 ( 2.906 2.794 -1.046) 4.165 9.364 ( 0.077 -7.788 -0.080) 7.789 9.762 ( 0.165 1.477 -0.484) 1.563 9.771 ( 0.519 -0.336 0.217) 0.655 9.911 ( -0.073 10.542 1.473) 10.645 10.021 ( -0.448 5.529 -1.940) 5.877 10.372 ( -1.203 -14.046 0.797) 14.120 10.444 ( -1.368 -15.998 -1.946) 16.174 11.079 ( -1.770 7.312 0.213) 7.527 11.151 ( -1.732 1.759 -0.197) 2.477 11.275 ( -3.453 6.446 0.130) 7.314 11.291 ( -2.386 6.682 0.295) 7.101 11.406 ( -3.566 -6.594 -0.133) 7.498 11.437 ( -2.653 -6.383 0.339) 6.921 11.872 ( 2.064 1.134 -0.727) 2.465 11.898 ( 3.492 -2.758 -0.309) 4.461 11.980 ( -1.491 7.465 -0.394) 7.622 12.044 ( -2.113 6.633 0.580) 6.986 12.171 ( 1.810 -2.595 0.272) 3.175 12.252 ( 0.465 -4.854 0.769) 4.937 13.380 ( -1.341 22.105 0.956) 22.166 13.445 ( -1.225 21.534 0.015) 21.569 13.557 ( -1.244 13.552 -0.559) 13.620 13.613 ( -1.233 9.567 -0.430) 9.656 13.726 ( -1.757 11.062 0.746) 11.225 13.867 ( -1.351 4.228 1.534) 4.696 13.935 ( 0.412 -5.740 0.491) 5.776 14.007 ( -0.087 -9.411 -0.595) 9.430 14.064 ( 2.216 -3.055 -0.768) 3.851 14.140 ( -0.492 -10.482 -0.370) 10.500 14.319 ( 2.800 -4.958 -0.023) 5.694 14.335 ( 0.428 -5.763 -2.490) 6.292 14.703 ( 4.413 -10.144 -0.669) 11.082 14.793 ( 5.850 -13.382 -2.822) 14.875 15.014 ( 5.840 5.468 1.113) 8.077 15.313 ( 9.670 -16.324 3.975) 19.385 15.436 ( -1.492 1.139 0.993) 2.123 15.490 ( -2.049 -4.883 -2.118) 5.703 15.924 ( 5.873 16.909 -0.035) 17.900 16.045 ( 3.036 14.245 -0.665) 14.580 16.234 ( -0.141 -4.273 -0.108) 4.277 16.240 ( 0.386 -2.544 0.607) 2.644 16.302 ( 4.201 -14.146 -0.346) 14.760 16.429 ( 1.683 -14.396 -0.808) 14.516 17.118 ( -2.178 2.194 0.046) 3.092 17.145 ( -2.213 -0.084 0.351) 2.242 17.319 ( -2.072 1.560 0.535) 2.648 17.350 ( -2.260 -1.157 0.016) 2.539 20.308 ( 2.016 1.690 -0.793) 2.747 20.359 ( 1.866 -3.118 -0.006) 3.633 20.513 ( 2.361 4.809 0.607) 5.391 20.596 ( 3.085 -2.844 1.284) 4.388 21.389 ( -3.239 1.901 0.747) 3.829 21.443 ( -2.629 -3.057 -1.073) 4.172 21.901 ( 2.542 -0.418 -0.317) 2.595 21.942 ( 3.356 -3.788 0.083) 5.061 23.093 ( -5.096 6.036 0.317) 7.906 23.123 ( -7.463 2.983 0.084) 8.037 23.161 ( -4.609 -0.365 -0.171) 4.627 23.166 ( -6.014 -0.519 0.374) 6.048 27.284 ( -0.807 16.552 0.132) 16.572 27.442 ( -5.015 14.224 -0.746) 15.101 27.744 ( -2.837 -14.685 -0.640) 14.970 27.938 ( -4.821 -20.985 0.093) 21.532 29.773 ( 1.946 21.304 -5.608) 22.115 30.050 ( 6.289 0.682 -0.099) 6.326 30.344 ( 4.350 7.239 4.017) 9.352 30.643 ( 4.650 -14.963 8.475) 17.814 31.433 ( -4.762 4.511 1.019) 6.638 31.528 ( -3.585 -2.092 6.173) 7.439 31.716 ( -4.151 10.565 -3.732) 11.949 31.794 ( 0.323 -0.383 -0.706) 0.866 31.833 ( -0.597 4.009 0.211) 4.059 31.996 ( -1.202 -9.955 -0.274) 10.031 32.086 ( -11.507 5.794 0.222) 12.885 32.343 ( -15.975 -13.752 -4.497) 21.554 33.004 ( -2.733 13.408 -1.010) 13.721 33.255 ( -5.492 -3.038 0.067) 6.277 33.399 ( -9.073 13.869 1.137) 16.612 33.800 ( -14.367 -16.577 3.113) 22.157 34.105 ( -2.072 6.654 0.327) 6.977 34.171 ( -3.413 4.744 0.328) 5.853 34.364 ( -3.097 5.957 -0.440) 6.728 34.612 ( -4.571 -12.610 -0.423) 13.419 35.713 ( 0.755 0.511 0.992) 1.347 35.729 ( 0.727 -0.946 0.026) 1.193 35.783 ( 1.554 0.216 -1.152) 1.946 35.788 ( 1.615 -0.266 -2.260) 2.790 35.977 ( 1.454 2.601 -0.928) 3.121 36.028 ( 0.065 -2.198 1.550) 2.690 36.232 ( 0.182 2.235 -0.788) 2.377 36.279 ( -0.758 -2.133 -1.386) 2.655 37.155 ( 25.055 10.179 1.096) 27.066 37.421 ( 21.288 -14.534 -4.789) 26.217 38.661 ( 12.465 6.870 1.884) 14.357 38.887 ( 6.226 -13.251 1.444) 14.712 ======================= Grid point 17 (12/54) ======================= q-point: ( 0.43 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.464 ( 1.920 13.534 -3.483) 14.107 1.629 ( -2.736 -4.448 -1.670) 5.482 1.728 ( 0.076 -10.811 0.869) 10.846 1.757 ( -2.543 -10.424 0.578) 10.745 2.202 ( 0.163 -0.483 -0.592) 0.781 2.206 ( 0.832 2.296 -1.081) 2.671 2.528 ( 4.241 12.980 0.646) 13.670 2.617 ( 3.874 -2.945 4.167) 6.407 2.697 ( 9.390 8.249 1.190) 12.555 2.772 ( 0.460 2.795 -3.326) 4.369 2.811 ( 0.191 1.671 -1.305) 2.129 2.831 ( 2.251 -5.453 -0.826) 5.956 2.936 ( 5.550 4.174 -1.015) 7.018 3.043 ( -6.898 -2.445 -0.949) 7.380 3.161 ( -0.084 5.547 0.933) 5.626 3.190 ( 0.149 8.237 -0.586) 8.259 3.365 ( 2.291 4.989 5.992) 8.127 3.419 ( 2.281 1.742 -1.020) 3.046 3.459 ( 1.738 1.991 0.282) 2.658 3.488 ( -0.291 3.392 -1.908) 3.903 3.583 ( 3.416 6.823 1.250) 7.732 3.691 ( 0.664 -8.866 2.092) 9.133 3.787 ( 4.383 4.384 1.811) 6.458 3.858 ( 2.161 -5.014 -0.140) 5.462 3.938 ( 4.425 3.366 -1.857) 5.862 3.958 ( 1.980 5.680 -1.168) 6.127 4.107 ( -0.010 5.604 -2.029) 5.960 4.260 ( 1.884 -8.055 2.218) 8.564 4.311 ( 5.479 0.307 1.352) 5.651 4.371 ( 1.065 -4.136 0.105) 4.273 4.501 ( -1.094 -0.336 -4.386) 4.533 4.544 ( -2.701 -4.863 2.860) 6.255 4.686 ( -1.544 -8.404 -0.558) 8.563 4.738 ( -0.984 -8.496 -1.722) 8.724 4.892 ( 0.699 5.215 -2.648) 5.890 4.920 ( -1.052 3.620 2.533) 4.542 5.101 ( 2.269 2.736 -3.143) 4.745 5.141 ( -1.095 0.732 5.862) 6.009 5.454 ( 1.296 3.851 -1.113) 4.213 5.497 ( 2.102 0.753 0.368) 2.263 5.587 ( -0.427 0.053 -1.701) 1.755 5.655 ( 1.665 -6.254 0.564) 6.497 5.803 ( -0.803 5.368 0.301) 5.436 5.886 ( -1.475 -3.488 0.612) 3.836 6.639 ( -1.000 2.176 0.364) 2.422 6.699 ( -1.349 -4.049 -0.680) 4.321 7.028 ( -1.025 -1.343 -0.966) 1.946 7.104 ( -0.721 -7.865 0.116) 7.899 7.440 ( -1.557 8.276 -0.085) 8.422 7.562 ( -0.092 -2.339 0.149) 2.345 7.738 ( 1.219 -0.439 0.364) 1.346 7.778 ( -0.256 -3.906 0.637) 3.966 7.914 ( 1.250 1.482 0.267) 1.957 7.941 ( -0.583 1.416 -0.849) 1.751 8.238 ( 1.286 -1.401 -0.517) 1.971 8.397 ( 1.184 -14.731 0.088) 14.779 9.051 ( 0.829 8.424 0.378) 8.473 9.184 ( 0.473 9.912 0.131) 9.924 9.226 ( 0.158 -8.083 0.410) 8.095 9.303 ( 1.758 5.860 -0.119) 6.120 9.335 ( 1.862 2.300 0.070) 2.960 9.370 ( 0.621 -7.366 0.103) 7.393 9.763 ( 0.093 0.547 -0.358) 0.660 9.784 ( 0.516 -2.866 0.423) 2.943 9.946 ( 2.494 12.372 3.028) 12.979 9.999 ( -1.696 9.694 -3.092) 10.316 10.379 ( 1.359 -16.365 2.141) 16.560 10.415 ( -1.425 -16.921 -2.678) 17.190 11.048 ( -0.907 6.927 0.100) 6.987 11.119 ( -0.965 1.350 -0.141) 1.665 11.220 ( -1.529 5.708 0.154) 5.911 11.255 ( -0.991 5.545 0.117) 5.634 11.355 ( -1.234 -5.762 -0.097) 5.893 11.398 ( -0.961 -5.721 0.194) 5.805 11.898 ( 0.380 6.277 -0.774) 6.336 11.946 ( 0.608 -0.384 -0.057) 0.721 11.968 ( 0.926 1.311 0.359) 1.645 12.003 ( -1.550 2.568 -0.107) 3.001 12.203 ( 0.937 -1.327 0.355) 1.663 12.260 ( 0.224 -3.730 0.334) 3.752 13.358 ( -0.619 22.348 0.340) 22.359 13.421 ( -0.729 22.974 -0.044) 22.986 13.540 ( -0.391 12.429 -0.040) 12.435 13.593 ( -0.572 7.141 -0.277) 7.169 13.700 ( -0.681 9.773 0.219) 9.799 13.844 ( -0.756 1.672 0.794) 1.999 13.944 ( 0.271 -6.155 0.323) 6.170 14.005 ( -0.093 -10.134 -0.224) 10.137 14.105 ( 1.520 -1.469 -0.851) 2.279 14.128 ( -0.628 -2.661 0.156) 2.739 14.349 ( 1.270 -4.903 -0.690) 5.112 14.368 ( 0.807 -5.683 -0.108) 5.741 14.766 ( 1.561 -8.253 -0.342) 8.406 14.886 ( 2.529 -14.265 -1.065) 14.527 15.089 ( 1.530 4.601 0.512) 4.876 15.410 ( -0.547 -8.586 0.940) 8.655 15.450 ( 2.748 -8.908 0.643) 9.344 15.466 ( -0.089 -4.756 -1.027) 4.866 16.023 ( 2.856 15.937 0.006) 16.191 16.089 ( 1.145 12.852 -0.310) 12.906 16.232 ( -0.032 -4.054 -0.047) 4.054 16.248 ( 0.266 -0.542 0.249) 0.653 16.383 ( 2.529 -14.547 -0.222) 14.766 16.466 ( 1.350 -13.660 -0.081) 13.727 17.080 ( -1.142 1.927 0.104) 2.242 17.107 ( -1.141 -0.415 0.118) 1.220 17.284 ( -1.031 1.574 0.223) 1.895 17.310 ( -1.187 -0.755 -0.022) 1.408 20.342 ( 0.995 1.561 -0.384) 1.890 20.391 ( 0.930 -3.109 0.002) 3.245 20.557 ( 1.329 5.266 0.263) 5.438 20.651 ( 1.675 -3.498 0.665) 3.935 21.333 ( -1.671 1.636 0.329) 2.361 21.393 ( -1.602 -3.984 -0.502) 4.323 21.942 ( 1.148 0.758 -0.315) 1.412 21.999 ( 1.671 -4.094 0.065) 4.422 22.968 ( -4.048 4.359 -0.390) 5.961 23.009 ( -3.229 0.037 0.785) 3.323 23.089 ( -1.214 3.373 0.001) 3.585 23.128 ( -0.706 -0.249 -0.011) 0.748 27.272 ( -0.298 16.358 0.036) 16.361 27.371 ( -1.759 17.222 -0.211) 17.313 27.708 ( -0.815 -17.535 -0.145) 17.555 27.867 ( -1.843 -22.558 -0.008) 22.633 29.790 ( 0.256 22.253 -2.430) 22.387 30.123 ( 1.358 -4.388 -0.851) 4.671 30.403 ( 1.113 12.294 2.552) 12.605 30.713 ( 1.590 -11.644 3.529) 12.270 31.361 ( -1.866 6.648 0.791) 6.950 31.478 ( -1.457 -1.797 2.316) 3.273 31.627 ( -2.373 14.404 -1.647) 14.691 31.800 ( 0.213 0.378 -0.476) 0.644 31.824 ( -0.132 -0.175 0.199) 0.296 31.932 ( -3.077 -9.841 -0.031) 10.311 31.987 ( -1.931 -3.796 -0.782) 4.330 32.104 ( -4.775 -12.137 -1.389) 13.117 32.962 ( -1.046 13.301 -0.440) 13.350 33.173 ( -1.917 6.901 0.384) 7.172 33.313 ( -1.497 0.327 -0.246) 1.552 33.628 ( -3.553 -15.831 1.062) 16.259 34.075 ( -0.722 6.158 0.097) 6.201 34.120 ( -1.365 6.314 0.009) 6.460 34.319 ( -1.149 4.056 -0.003) 4.216 34.543 ( -1.826 -12.340 -0.077) 12.474 35.727 ( 0.383 0.526 0.678) 0.939 35.740 ( 0.280 -0.741 -0.117) 0.801 35.808 ( 0.745 0.235 -0.346) 0.855 35.813 ( 0.721 -0.229 -0.750) 1.065 35.998 ( 0.808 0.849 -0.959) 1.514 36.018 ( -0.853 -1.009 0.953) 1.629 36.238 ( 0.427 1.348 -0.029) 1.415 36.260 ( -0.844 -0.670 -0.529) 1.201 37.512 ( 8.960 7.832 0.467) 11.910 37.692 ( 6.059 -8.604 -1.985) 10.709 38.865 ( 5.943 2.064 0.583) 6.319 38.980 ( 2.108 -8.166 0.722) 8.464 ======================= Grid point 35 (13/54) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.322 ( 17.758 0.000 9.774) 20.270 0.398 ( 2.341 0.000 22.499) 22.620 1.026 ( -2.834 0.000 52.651) 52.727 1.030 ( -0.416 0.000 -2.138) 2.178 1.464 ( 1.880 0.000 -7.522) 7.754 1.611 ( 2.372 0.000 -0.590) 2.445 2.031 ( 5.795 0.000 -2.059) 6.150 2.079 ( -4.231 0.000 -0.385) 4.248 2.257 ( -0.925 0.000 10.551) 10.591 2.337 ( -0.866 0.000 11.070) 11.104 2.559 ( 2.469 0.000 -5.971) 6.462 2.588 ( 4.499 0.000 8.120) 9.283 2.641 ( -2.494 0.000 9.790) 10.102 2.865 ( -1.473 0.000 -3.619) 3.907 2.884 ( -4.737 0.000 -10.771) 11.767 3.040 ( 0.999 0.000 -0.090) 1.003 3.212 ( -1.425 0.000 -7.831) 7.959 3.267 ( -0.236 0.000 -2.013) 2.027 3.359 ( -4.662 0.000 -1.574) 4.921 3.363 ( 1.085 0.000 0.781) 1.337 3.543 ( -3.055 0.000 -4.037) 5.063 3.686 ( 0.121 0.000 -5.272) 5.274 3.710 ( -0.062 0.000 -2.744) 2.745 3.835 ( -0.176 0.000 6.865) 6.868 3.855 ( 0.662 0.000 -5.790) 5.828 3.894 ( -2.224 0.000 -8.996) 9.267 4.013 ( -1.729 0.000 2.016) 2.656 4.156 ( 3.262 0.000 -1.950) 3.800 4.166 ( -5.290 0.000 5.198) 7.416 4.500 ( 2.697 0.000 0.156) 2.701 4.520 ( 1.089 0.000 1.237) 1.648 4.580 ( -6.759 0.000 3.334) 7.536 4.627 ( 0.987 0.000 -2.072) 2.295 4.647 ( 2.714 0.000 -0.499) 2.760 4.741 ( -1.135 0.000 -2.948) 3.159 4.937 ( 4.332 0.000 6.513) 7.822 5.196 ( 1.839 0.000 -6.213) 6.480 5.260 ( 0.675 0.000 5.551) 5.592 5.370 ( -0.319 0.000 1.603) 1.634 5.515 ( -0.536 0.000 -6.921) 6.941 5.705 ( -0.692 0.000 -2.554) 2.646 5.860 ( -2.700 0.000 4.726) 5.443 5.938 ( -0.254 0.000 -1.669) 1.688 6.255 ( -12.310 0.000 -7.040) 14.181 6.640 ( 1.368 0.000 3.007) 3.304 6.947 ( 5.418 0.000 -1.419) 5.601 7.194 ( -1.649 0.000 -2.292) 2.823 7.330 ( -7.634 0.000 2.775) 8.122 7.400 ( -0.022 0.000 2.370) 2.370 7.520 ( 1.552 0.000 2.245) 2.729 7.685 ( 0.043 0.000 1.231) 1.231 7.831 ( 1.726 0.000 -2.670) 3.179 7.850 ( 5.005 0.000 0.756) 5.062 7.921 ( 4.259 0.000 1.041) 4.384 8.318 ( -0.864 0.000 -1.229) 1.502 8.530 ( -0.115 0.000 0.183) 0.217 8.748 ( -1.199 0.000 0.683) 1.380 8.833 ( 9.376 0.000 -0.898) 9.419 8.925 ( -0.362 0.000 0.043) 0.364 9.022 ( 0.569 0.000 -0.474) 0.740 9.515 ( -0.914 0.000 0.692) 1.146 9.522 ( -0.106 0.000 -0.266) 0.286 9.568 ( -0.320 0.000 -0.230) 0.394 9.583 ( 0.128 0.000 -0.036) 0.133 10.041 ( 1.645 0.000 -0.332) 1.678 10.096 ( -0.929 0.000 0.596) 1.104 10.745 ( -0.216 0.000 -0.246) 0.327 10.769 ( 0.226 0.000 0.232) 0.324 11.112 ( 0.419 0.000 -0.155) 0.446 11.126 ( 0.049 0.000 -0.024) 0.054 11.131 ( -0.374 0.000 -0.270) 0.461 11.169 ( -4.888 0.000 0.047) 4.889 11.577 ( -0.138 0.000 0.037) 0.143 11.638 ( -0.244 0.000 0.004) 0.244 11.712 ( 3.923 0.000 -2.473) 4.638 11.781 ( -1.823 0.000 -1.909) 2.640 11.865 ( -0.305 0.000 0.620) 0.691 11.972 ( 0.407 0.000 3.342) 3.366 12.161 ( -0.266 0.000 -0.975) 1.011 12.190 ( 0.230 0.000 0.368) 0.434 12.641 ( 0.382 0.000 1.487) 1.536 12.775 ( -0.264 0.000 -1.496) 1.519 13.249 ( 0.622 0.000 -1.519) 1.642 13.259 ( -0.375 0.000 -0.333) 0.501 13.304 ( -0.371 0.000 0.057) 0.375 13.336 ( -0.887 0.000 1.121) 1.430 13.993 ( 4.253 0.000 -0.907) 4.349 14.021 ( 6.867 0.000 0.249) 6.872 14.039 ( -1.080 0.000 -0.589) 1.230 14.084 ( 1.416 0.000 1.309) 1.929 14.573 ( -1.367 0.000 -0.376) 1.417 14.625 ( 4.082 0.000 -0.723) 4.146 14.964 ( -0.419 0.000 -1.019) 1.101 15.047 ( -0.451 0.000 -0.929) 1.033 15.185 ( 0.186 0.000 0.245) 0.307 15.190 ( 1.848 0.000 2.740) 3.305 15.215 ( -0.191 0.000 -0.209) 0.283 15.294 ( 27.153 0.000 0.969) 27.170 15.648 ( 0.069 0.000 1.006) 1.008 15.762 ( 7.385 0.000 -0.630) 7.412 16.304 ( 0.095 0.000 0.199) 0.221 16.354 ( -0.394 0.000 -1.062) 1.132 16.689 ( 0.558 0.000 0.762) 0.944 16.807 ( -4.159 0.000 -0.714) 4.220 17.108 ( -0.674 0.000 -1.300) 1.465 17.157 ( -0.957 0.000 0.599) 1.129 17.324 ( 0.045 0.000 1.754) 1.755 17.437 ( 0.118 0.000 -0.686) 0.696 20.261 ( -1.532 0.000 2.218) 2.696 20.274 ( 0.042 0.000 -1.896) 1.896 20.421 ( -0.100 0.000 0.965) 0.970 20.502 ( 1.020 0.000 -1.574) 1.875 21.378 ( -8.621 0.000 -0.197) 8.624 21.509 ( -0.769 0.000 0.285) 0.820 21.951 ( -0.373 0.000 -0.525) 0.644 21.991 ( 0.733 0.000 1.369) 1.553 23.093 ( -2.574 0.000 -1.481) 2.970 23.226 ( -0.686 0.000 1.653) 1.789 23.232 ( -0.307 0.000 -1.139) 1.180 23.341 ( 0.089 0.000 0.446) 0.454 26.829 ( -0.278 0.000 -1.507) 1.533 26.895 ( 0.282 0.000 1.525) 1.550 28.677 ( -0.634 0.000 0.056) 0.637 28.731 ( -0.346 0.000 2.476) 2.500 28.864 ( 52.690 0.000 -0.228) 52.691 28.972 ( 0.232 0.000 -3.477) 3.484 30.185 ( -0.518 0.000 0.240) 0.571 30.263 ( 0.764 0.000 -0.271) 0.811 31.152 ( 1.309 0.000 1.128) 1.728 31.369 ( -1.242 0.000 -8.264) 8.357 31.681 ( -1.227 0.000 3.493) 3.703 31.855 ( 2.486 0.000 -2.582) 3.584 32.090 ( 2.247 0.000 15.586) 15.747 32.410 ( 0.005 0.000 -0.503) 0.503 32.432 ( 0.190 0.000 1.243) 1.258 32.494 ( 2.068 0.000 4.371) 4.835 32.539 ( -0.215 0.000 -1.326) 1.343 33.288 ( -9.249 0.000 -6.438) 11.269 33.739 ( 0.197 0.000 -1.003) 1.022 33.784 ( -0.096 0.000 0.333) 0.346 33.904 ( -2.048 0.000 2.127) 2.952 34.521 ( 0.397 0.000 3.486) 3.509 34.708 ( 12.637 0.000 -26.906) 29.726 34.868 ( -7.243 0.000 -7.030) 10.094 35.527 ( -3.701 0.000 0.052) 3.702 35.545 ( -2.688 0.000 0.191) 2.695 35.720 ( -0.086 0.000 -0.237) 0.252 35.754 ( -0.148 0.000 0.857) 0.870 35.954 ( -4.189 0.000 2.094) 4.683 35.974 ( -0.065 0.000 1.106) 1.108 36.209 ( -0.032 0.000 2.892) 2.893 36.289 ( 9.697 0.000 29.010) 30.588 36.379 ( 0.113 0.000 -1.172) 1.177 37.633 ( -17.917 0.000 -10.552) 20.793 39.049 ( -1.382 0.000 1.151) 1.799 39.216 ( 1.556 0.000 -2.358) 2.825 ======================= Grid point 36 (14/54) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( 15.657 0.000 9.396) 18.260 0.949 ( 11.862 0.000 36.628) 38.501 1.089 ( 5.114 0.000 -5.615) 7.595 1.408 ( 46.563 0.000 22.450) 51.693 1.692 ( 5.171 0.000 -3.104) 6.032 1.926 ( 31.388 0.000 -6.498) 32.053 2.223 ( -2.419 0.000 10.952) 11.215 2.308 ( 2.501 0.000 4.564) 5.204 2.382 ( 24.682 0.000 -0.321) 24.684 2.459 ( 27.118 0.000 3.592) 27.355 2.517 ( -5.041 0.000 -6.501) 8.227 2.624 ( 0.384 0.000 5.436) 5.450 2.766 ( 10.336 0.000 10.286) 14.582 2.818 ( -0.898 0.000 -3.559) 3.671 2.962 ( 11.818 0.000 -3.796) 12.412 3.052 ( 0.386 0.000 0.730) 0.826 3.162 ( -2.844 0.000 -8.831) 9.278 3.208 ( -5.582 0.000 -5.454) 7.804 3.285 ( -1.456 0.000 -3.618) 3.900 3.357 ( -0.881 0.000 -2.982) 3.109 3.489 ( -1.254 0.000 -0.937) 1.565 3.693 ( -0.939 0.000 -0.851) 1.267 3.773 ( 0.395 0.000 -6.275) 6.288 3.826 ( -3.203 0.000 -5.126) 6.044 3.846 ( 1.090 0.000 6.479) 6.570 3.929 ( 7.929 0.000 -11.936) 14.329 4.008 ( -9.658 0.000 0.719) 9.685 4.012 ( 0.345 0.000 3.372) 3.390 4.209 ( 3.541 0.000 -2.417) 4.287 4.441 ( -6.915 0.000 9.183) 11.495 4.519 ( 0.220 0.000 -0.672) 0.707 4.537 ( 0.393 0.000 0.741) 0.839 4.670 ( 0.127 0.000 -4.642) 4.644 4.691 ( 3.629 0.000 -3.539) 5.069 4.730 ( -0.383 0.000 -1.031) 1.100 5.011 ( 1.623 0.000 4.289) 4.586 5.232 ( 1.837 0.000 -5.147) 5.465 5.252 ( -1.630 0.000 6.436) 6.639 5.362 ( 0.098 0.000 1.909) 1.912 5.507 ( -3.081 0.000 -2.546) 3.997 5.600 ( -12.539 0.000 6.901) 14.312 5.672 ( -2.015 0.000 -2.774) 3.428 5.925 ( -4.175 0.000 8.158) 9.165 5.947 ( 1.135 0.000 -1.284) 1.714 6.662 ( 0.612 0.000 3.586) 3.638 6.907 ( -2.444 0.000 -1.404) 2.819 7.238 ( 1.551 0.000 -3.614) 3.933 7.375 ( -2.528 0.000 2.170) 3.332 7.399 ( 3.360 0.000 0.700) 3.432 7.527 ( -0.984 0.000 1.847) 2.093 7.727 ( 1.806 0.000 1.864) 2.595 7.812 ( 1.896 0.000 -1.898) 2.683 7.910 ( 2.433 0.000 1.677) 2.955 8.090 ( 2.178 0.000 -4.497) 4.996 8.294 ( -1.200 0.000 -1.102) 1.629 8.533 ( 0.712 0.000 0.525) 0.885 8.750 ( 2.026 0.000 -0.232) 2.039 8.949 ( 2.438 0.000 0.003) 2.438 8.992 ( 3.698 0.000 -4.751) 6.021 9.057 ( 2.536 0.000 -0.586) 2.603 9.500 ( -0.088 0.000 1.618) 1.620 9.509 ( -0.840 0.000 -0.496) 0.975 9.572 ( 0.641 0.000 -0.608) 0.884 9.613 ( 1.975 0.000 0.113) 1.979 10.018 ( -2.674 0.000 -1.859) 3.256 10.084 ( 1.437 0.000 1.010) 1.756 10.716 ( -2.322 0.000 -0.128) 2.326 10.745 ( -2.364 0.000 0.063) 2.365 11.102 ( -1.302 0.000 -0.208) 1.318 11.106 ( -0.768 0.000 1.636) 1.808 11.113 ( -1.278 0.000 -0.203) 1.295 11.146 ( 1.460 0.000 0.135) 1.466 11.558 ( -1.355 0.000 -0.165) 1.365 11.609 ( -1.889 0.000 0.349) 1.921 11.654 ( -4.704 0.000 -3.554) 5.895 11.754 ( -4.206 0.000 2.677) 4.985 11.939 ( 7.317 0.000 -2.673) 7.790 12.026 ( 3.401 0.000 2.365) 4.142 12.158 ( -0.064 0.000 -0.899) 0.901 12.199 ( 0.443 0.000 0.295) 0.532 12.651 ( 0.469 0.000 1.610) 1.677 12.757 ( -1.174 0.000 -1.634) 2.012 13.252 ( -0.250 0.000 -0.511) 0.569 13.260 ( 0.354 0.000 -1.518) 1.559 13.298 ( -0.255 0.000 0.458) 0.524 13.320 ( -0.671 0.000 1.413) 1.565 14.019 ( 2.841 0.000 -1.442) 3.185 14.033 ( 0.979 0.000 -0.644) 1.172 14.177 ( 5.777 0.000 1.126) 5.886 14.209 ( 1.619 0.000 -4.923) 5.182 14.567 ( 0.980 0.000 -0.841) 1.292 14.686 ( 1.427 0.000 -1.359) 1.971 14.993 ( 2.901 0.000 -1.887) 3.461 15.051 ( 1.475 0.000 -1.196) 1.899 15.138 ( -2.332 0.000 0.757) 2.451 15.246 ( 5.509 0.000 0.596) 5.542 15.288 ( 6.915 0.000 -0.576) 6.939 15.550 ( -0.090 0.000 -2.076) 2.078 15.666 ( 1.337 0.000 0.511) 1.432 16.129 ( 8.953 0.000 -10.211) 13.580 16.314 ( 0.809 0.000 0.202) 0.833 16.343 ( -0.535 0.000 -0.996) 1.131 16.723 ( 2.487 0.000 0.181) 2.493 16.758 ( 1.546 0.000 0.896) 1.787 17.079 ( -1.089 0.000 0.621) 1.253 17.139 ( -0.670 0.000 1.239) 1.408 17.309 ( -1.590 0.000 1.424) 2.134 17.416 ( -2.008 0.000 -0.450) 2.057 20.258 ( 0.986 0.000 1.578) 1.861 20.291 ( 1.681 0.000 -1.849) 2.499 20.439 ( 1.607 0.000 1.018) 1.902 20.554 ( 3.852 0.000 -0.360) 3.869 21.351 ( 2.328 0.000 -2.710) 3.573 21.508 ( -0.208 0.000 0.890) 0.913 21.959 ( 1.018 0.000 -0.166) 1.032 22.019 ( 1.835 0.000 0.954) 2.068 22.957 ( -7.263 0.000 -0.651) 7.292 23.174 ( -4.870 0.000 -1.024) 4.976 23.192 ( -2.194 0.000 1.242) 2.521 23.274 ( -6.135 0.000 0.396) 6.148 26.828 ( 0.309 0.000 -1.180) 1.220 26.898 ( -0.105 0.000 1.194) 1.199 28.640 ( 0.753 0.000 -2.957) 3.051 28.697 ( -2.727 0.000 2.017) 3.392 28.913 ( -4.858 0.000 -2.769) 5.592 29.693 ( 7.760 0.000 -20.932) 22.324 30.237 ( 5.093 0.000 0.538) 5.121 30.372 ( 8.458 0.000 -0.675) 8.485 31.249 ( 6.838 0.000 1.997) 7.123 31.323 ( -2.394 0.000 -7.818) 8.177 31.645 ( -2.652 0.000 5.033) 5.689 31.864 ( -1.265 0.000 -2.124) 2.472 32.111 ( -0.964 0.000 13.554) 13.588 32.387 ( -1.775 0.000 -0.201) 1.787 32.435 ( -0.001 0.000 1.384) 1.384 32.479 ( -3.173 0.000 4.709) 5.678 32.528 ( -0.598 0.000 -1.493) 1.609 32.919 ( -18.828 0.000 -5.675) 19.665 33.739 ( -0.101 0.000 -0.778) 0.784 33.782 ( -0.093 0.000 0.225) 0.243 33.832 ( -4.491 0.000 0.338) 4.504 34.458 ( -10.982 0.000 -2.469) 11.257 34.551 ( -10.423 0.000 -3.625) 11.036 34.859 ( 0.465 0.000 -11.715) 11.724 35.573 ( 5.150 0.000 -4.502) 6.841 35.638 ( 6.870 0.000 -2.231) 7.223 35.732 ( 1.256 0.000 -0.336) 1.300 35.766 ( 1.178 0.000 0.909) 1.488 35.848 ( -1.611 0.000 3.082) 3.478 36.076 ( 2.892 0.000 -3.656) 4.662 36.206 ( -0.313 0.000 2.604) 2.623 36.362 ( -1.731 0.000 -1.111) 2.057 36.699 ( 24.626 0.000 23.109) 33.771 37.449 ( 4.242 0.000 4.685) 6.320 38.804 ( -7.667 0.000 7.553) 10.762 39.240 ( 0.765 0.000 -2.514) 2.628 ======================= Grid point 37 (15/54) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 0.910 0.000 9.530) 9.574 1.185 ( 10.441 0.000 36.239) 37.713 1.228 ( 8.751 0.000 -11.978) 14.834 1.802 ( 5.227 0.000 -9.436) 10.787 2.166 ( -2.566 0.000 11.943) 12.215 2.198 ( -0.240 0.000 12.574) 12.576 2.367 ( 35.962 0.000 10.786) 37.545 2.394 ( -5.765 0.000 -8.437) 10.218 2.581 ( 18.839 0.000 -9.738) 21.207 2.625 ( -0.849 0.000 5.498) 5.563 2.788 ( 14.922 0.000 -0.345) 14.926 2.818 ( 1.547 0.000 1.966) 2.502 2.952 ( 2.971 0.000 -3.850) 4.863 3.032 ( 12.421 0.000 -3.348) 12.865 3.053 ( 0.383 0.000 -2.086) 2.121 3.062 ( 0.314 0.000 0.842) 0.899 3.173 ( 7.247 0.000 8.541) 11.201 3.190 ( 5.258 0.000 -3.445) 6.286 3.339 ( -0.727 0.000 -4.805) 4.860 3.491 ( 11.940 0.000 3.623) 12.477 3.508 ( 11.272 0.000 3.643) 11.846 3.659 ( -2.662 0.000 1.645) 3.129 3.745 ( 0.310 0.000 -5.616) 5.625 3.748 ( -3.082 0.000 -5.255) 6.092 3.790 ( -10.214 0.000 -3.119) 10.679 3.914 ( 3.152 0.000 -1.393) 3.446 4.011 ( 5.267 0.000 -7.383) 9.069 4.094 ( 5.405 0.000 0.378) 5.418 4.321 ( 6.187 0.000 -1.413) 6.346 4.322 ( -4.626 0.000 11.182) 12.101 4.513 ( -1.087 0.000 1.659) 1.983 4.540 ( -0.154 0.000 -2.584) 2.589 4.672 ( 0.339 0.000 -3.606) 3.622 4.716 ( 0.300 0.000 -2.677) 2.694 4.745 ( 1.692 0.000 -4.416) 4.729 4.993 ( -2.718 0.000 1.641) 3.175 5.209 ( -2.673 0.000 4.357) 5.112 5.270 ( 1.989 0.000 -3.872) 4.353 5.331 ( -7.969 0.000 3.705) 8.788 5.372 ( 0.018 0.000 0.273) 0.274 5.565 ( 1.566 0.000 -2.088) 2.609 5.643 ( -0.171 0.000 -2.183) 2.189 5.888 ( -0.764 0.000 3.325) 3.412 5.976 ( 1.472 0.000 -0.660) 1.613 6.674 ( 0.382 0.000 3.345) 3.367 6.874 ( -0.754 0.000 -1.141) 1.368 7.221 ( -2.436 0.000 -3.831) 4.540 7.303 ( -4.119 0.000 1.041) 4.248 7.424 ( -0.919 0.000 2.308) 2.484 7.498 ( -1.491 0.000 0.830) 1.707 7.777 ( 3.137 0.000 0.913) 3.267 7.876 ( 2.715 0.000 -0.434) 2.749 7.951 ( 0.682 0.000 1.019) 1.226 8.091 ( 0.306 0.000 0.259) 0.401 8.278 ( -0.125 0.000 0.073) 0.144 8.558 ( 1.288 0.000 0.107) 1.293 8.825 ( 4.652 0.000 0.243) 4.659 9.013 ( -0.673 0.000 -3.417) 3.483 9.014 ( 3.372 0.000 0.532) 3.414 9.114 ( 2.743 0.000 -1.040) 2.934 9.489 ( -0.995 0.000 -0.338) 1.051 9.499 ( -0.272 0.000 0.898) 0.938 9.587 ( 0.789 0.000 -0.875) 1.178 9.641 ( 0.453 0.000 0.003) 0.453 9.974 ( -0.815 0.000 -3.043) 3.150 10.136 ( 2.635 0.000 0.766) 2.744 10.665 ( -2.156 0.000 0.029) 2.156 10.688 ( -2.693 0.000 -0.114) 2.696 11.059 ( -2.452 0.000 -1.400) 2.824 11.088 ( -1.084 0.000 1.170) 1.595 11.105 ( 0.405 0.000 1.574) 1.626 11.183 ( 1.947 0.000 -0.330) 1.974 11.538 ( -0.375 0.000 -0.020) 0.376 11.559 ( -3.958 0.000 -3.579) 5.337 11.577 ( -1.034 0.000 0.461) 1.132 11.678 ( -2.969 0.000 3.112) 4.301 12.076 ( 4.811 0.000 0.086) 4.812 12.093 ( 3.472 0.000 -0.225) 3.479 12.156 ( 0.014 0.000 -0.836) 0.836 12.202 ( -0.163 0.000 0.306) 0.346 12.660 ( 0.241 0.000 1.283) 1.306 12.733 ( -0.937 0.000 -1.390) 1.676 13.247 ( -0.221 0.000 -0.628) 0.665 13.260 ( -0.257 0.000 -1.083) 1.113 13.290 ( -0.434 0.000 0.348) 0.556 13.306 ( -0.796 0.000 1.105) 1.361 14.070 ( 1.231 0.000 -1.342) 1.821 14.070 ( 2.209 0.000 0.037) 2.210 14.195 ( -1.120 0.000 -0.342) 1.171 14.277 ( 3.383 0.000 0.301) 3.396 14.603 ( 2.156 0.000 -0.368) 2.187 14.704 ( 0.753 0.000 -0.793) 1.094 15.039 ( 1.237 0.000 -2.988) 3.234 15.118 ( 1.944 0.000 -0.432) 1.992 15.143 ( 5.807 0.000 -0.197) 5.811 15.396 ( 7.999 0.000 0.880) 8.047 15.466 ( 9.165 0.000 -0.881) 9.207 15.538 ( -0.383 0.000 -0.854) 0.937 15.687 ( 0.521 0.000 0.460) 0.695 16.158 ( -1.908 0.000 -0.061) 1.909 16.328 ( 0.137 0.000 -0.467) 0.487 16.339 ( 0.600 0.000 0.087) 0.606 16.777 ( 2.210 0.000 0.196) 2.219 16.807 ( 2.174 0.000 0.063) 2.175 17.064 ( -0.764 0.000 0.750) 1.071 17.121 ( -1.077 0.000 0.581) 1.224 17.265 ( -2.481 0.000 0.443) 2.521 17.363 ( -2.730 0.000 0.184) 2.736 20.299 ( 2.730 0.000 2.066) 3.423 20.333 ( 2.194 0.000 -1.726) 2.792 20.481 ( 2.172 0.000 1.189) 2.476 20.639 ( 3.801 0.000 -0.288) 3.812 21.364 ( -0.967 0.000 -1.719) 1.972 21.509 ( 0.460 0.000 0.624) 0.775 21.989 ( 1.763 0.000 0.165) 1.771 22.064 ( 2.253 0.000 0.135) 2.257 22.802 ( -7.153 0.000 -3.265) 7.863 23.054 ( -5.934 0.000 -0.488) 5.954 23.119 ( -7.987 0.000 0.216) 7.990 23.151 ( -1.618 0.000 0.312) 1.648 26.838 ( 0.651 0.000 -0.720) 0.971 26.892 ( -0.457 0.000 0.733) 0.864 28.639 ( -2.521 0.000 1.522) 2.944 28.696 ( 4.126 0.000 -1.769) 4.489 28.807 ( -4.573 0.000 -1.896) 4.950 29.589 ( -9.846 0.000 -4.668) 10.896 30.362 ( 5.971 0.000 1.106) 6.072 30.553 ( 7.955 0.000 -1.382) 8.074 31.243 ( -3.156 0.000 -4.605) 5.583 31.400 ( 5.500 0.000 5.040) 7.460 31.578 ( -3.938 0.000 6.653) 7.731 31.833 ( -1.467 0.000 -0.543) 1.565 32.080 ( -2.499 0.000 9.386) 9.713 32.324 ( -5.800 0.000 -1.820) 6.078 32.406 ( -2.844 0.000 0.395) 2.871 32.434 ( -0.173 0.000 1.318) 1.329 32.516 ( -0.390 0.000 -1.464) 1.515 32.571 ( -12.082 0.000 -10.142) 15.775 33.734 ( -0.335 0.000 -0.207) 0.394 33.743 ( -3.533 0.000 -0.121) 3.535 33.781 ( 0.035 0.000 -0.159) 0.162 34.151 ( -12.696 0.000 -3.880) 13.276 34.454 ( -3.282 0.000 3.918) 5.111 34.816 ( -2.868 0.000 -8.023) 8.520 35.647 ( 2.101 0.000 -5.560) 5.943 35.749 ( 3.489 0.000 1.183) 3.685 35.764 ( 1.636 0.000 -0.535) 1.722 35.800 ( 1.875 0.000 1.221) 2.238 35.862 ( 2.405 0.000 -0.008) 2.405 36.092 ( -0.431 0.000 -1.890) 1.938 36.204 ( 0.084 0.000 1.943) 1.945 36.311 ( -2.960 0.000 -1.092) 3.155 37.216 ( 21.741 0.000 20.114) 29.618 37.673 ( 13.080 0.000 2.230) 13.269 38.789 ( 3.899 0.000 -0.643) 3.952 39.235 ( -1.346 0.000 -4.909) 5.090 ======================= Grid point 38 (16/54) ======================= q-point: ( 0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( -6.307 0.000 2.357) 6.733 1.374 ( 4.804 0.000 -9.782) 10.898 1.394 ( 7.251 0.000 31.197) 32.029 1.885 ( 3.524 0.000 -15.059) 15.466 2.077 ( -5.476 0.000 15.115) 16.077 2.221 ( 0.990 0.000 10.232) 10.279 2.284 ( -4.326 0.000 -3.800) 5.758 2.600 ( -1.556 0.000 6.987) 7.158 2.706 ( 1.640 0.000 -11.899) 12.012 2.860 ( 0.934 0.000 -0.530) 1.074 2.926 ( 9.180 0.000 8.173) 12.292 2.957 ( 1.153 0.000 -1.840) 2.171 2.994 ( 5.480 0.000 2.620) 6.074 3.050 ( 3.590 0.000 -2.108) 4.162 3.057 ( -1.660 0.000 -3.732) 4.084 3.162 ( 5.230 0.000 -1.304) 5.391 3.249 ( -2.470 0.000 -0.400) 2.503 3.271 ( -0.972 0.000 -0.963) 1.368 3.406 ( 5.198 0.000 5.614) 7.650 3.587 ( -4.821 0.000 1.118) 4.949 3.594 ( 3.295 0.000 5.858) 6.722 3.654 ( 1.291 0.000 3.382) 3.620 3.724 ( 0.223 0.000 -5.926) 5.930 3.764 ( 2.729 0.000 -1.591) 3.159 3.852 ( 8.554 0.000 -2.207) 8.834 3.977 ( 2.635 0.000 -6.972) 7.454 4.026 ( -1.167 0.000 -6.871) 6.969 4.277 ( -0.153 0.000 12.056) 12.057 4.307 ( 8.563 0.000 3.218) 9.147 4.418 ( 3.015 0.000 -0.912) 3.150 4.485 ( -1.128 0.000 3.943) 4.101 4.527 ( -0.240 0.000 -4.084) 4.091 4.661 ( -1.108 0.000 -1.365) 1.758 4.759 ( 0.405 0.000 -5.900) 5.914 4.779 ( 4.262 0.000 -1.062) 4.393 4.946 ( -1.461 0.000 1.981) 2.462 5.140 ( -3.933 0.000 0.982) 4.054 5.228 ( -1.750 0.000 -0.995) 2.013 5.296 ( 0.495 0.000 -3.640) 3.674 5.354 ( -1.342 0.000 -2.042) 2.444 5.608 ( 2.429 0.000 1.486) 2.848 5.657 ( 1.016 0.000 -1.822) 2.086 5.870 ( -1.565 0.000 -0.472) 1.635 5.998 ( 0.539 0.000 -0.303) 0.618 6.673 ( -0.988 0.000 2.126) 2.344 6.867 ( -0.029 0.000 -0.508) 0.509 7.184 ( 0.327 0.000 -1.264) 1.305 7.231 ( -2.253 0.000 0.197) 2.261 7.396 ( -1.277 0.000 2.209) 2.551 7.469 ( -1.368 0.000 -0.508) 1.459 7.811 ( 0.141 0.000 -0.418) 0.441 7.895 ( -1.334 0.000 -2.077) 2.468 7.965 ( 1.493 0.000 2.587) 2.987 8.109 ( 0.639 0.000 1.094) 1.267 8.291 ( 1.217 0.000 1.896) 2.253 8.572 ( -0.105 0.000 -1.306) 1.311 8.900 ( 1.023 0.000 -0.486) 1.133 8.998 ( 0.681 0.000 -1.566) 1.708 9.069 ( 1.443 0.000 0.610) 1.566 9.160 ( 1.483 0.000 -1.015) 1.797 9.474 ( -0.261 0.000 0.368) 0.451 9.491 ( -0.414 0.000 0.279) 0.499 9.600 ( 0.431 0.000 -0.917) 1.013 9.636 ( -0.498 0.000 -0.199) 0.536 9.972 ( 0.153 0.000 -4.032) 4.035 10.173 ( 0.729 0.000 1.034) 1.265 10.637 ( -0.496 0.000 0.028) 0.497 10.646 ( -1.207 0.000 -0.072) 1.209 11.016 ( -1.340 0.000 -1.575) 2.068 11.074 ( -0.243 0.000 1.598) 1.616 11.117 ( 0.454 0.000 2.011) 2.062 11.218 ( 1.194 0.000 -0.534) 1.308 11.498 ( -1.553 0.000 -3.405) 3.742 11.538 ( 0.195 0.000 0.206) 0.283 11.566 ( -0.267 0.000 0.258) 0.371 11.639 ( -0.932 0.000 3.264) 3.395 12.115 ( 0.360 0.000 0.644) 0.738 12.159 ( 0.258 0.000 -0.714) 0.760 12.170 ( 2.269 0.000 -1.062) 2.505 12.196 ( -0.370 0.000 0.229) 0.435 12.661 ( -0.257 0.000 0.731) 0.775 12.720 ( -0.176 0.000 -0.997) 1.012 13.242 ( -0.155 0.000 -0.763) 0.778 13.250 ( -0.470 0.000 -0.588) 0.753 13.285 ( -0.070 0.000 0.546) 0.551 13.294 ( -0.227 0.000 0.506) 0.554 14.084 ( 1.103 0.000 -0.589) 1.250 14.110 ( 1.433 0.000 1.026) 1.762 14.171 ( -1.509 0.000 0.348) 1.548 14.315 ( 0.447 0.000 -0.570) 0.725 14.643 ( 1.533 0.000 0.513) 1.617 14.716 ( 0.283 0.000 -0.479) 0.556 15.056 ( 0.711 0.000 -2.734) 2.825 15.151 ( 1.126 0.000 0.121) 1.132 15.279 ( 5.256 0.000 0.927) 5.337 15.529 ( 3.756 0.000 0.896) 3.861 15.537 ( 0.167 0.000 -1.377) 1.387 15.616 ( 4.284 0.000 -0.935) 4.385 15.687 ( -0.306 0.000 0.534) 0.615 16.101 ( -3.374 0.000 -0.537) 3.417 16.330 ( 0.256 0.000 0.054) 0.261 16.353 ( 0.418 0.000 0.067) 0.423 16.811 ( 1.160 0.000 0.364) 1.216 16.835 ( 0.456 0.000 0.424) 0.623 17.042 ( -1.247 0.000 0.550) 1.363 17.102 ( -0.540 0.000 -0.075) 0.545 17.221 ( -1.363 0.000 -0.580) 1.481 17.318 ( -1.393 0.000 0.849) 1.632 20.362 ( 2.785 0.000 3.686) 4.619 20.368 ( 1.059 0.000 -1.619) 1.935 20.518 ( 1.043 0.000 1.361) 1.715 20.686 ( 0.279 0.000 -1.589) 1.613 21.334 ( -1.297 0.000 -0.007) 1.297 21.526 ( 1.206 0.000 0.479) 1.298 22.021 ( 0.995 0.000 0.347) 1.054 22.100 ( 0.873 0.000 -0.664) 1.097 22.685 ( -3.391 0.000 -4.092) 5.314 22.960 ( -2.369 0.000 0.110) 2.372 22.985 ( -3.915 0.000 0.030) 3.916 23.130 ( -0.263 0.000 0.083) 0.276 26.851 ( 0.543 0.000 -0.466) 0.716 26.882 ( -0.479 0.000 0.488) 0.684 28.605 ( -0.783 0.000 1.364) 1.573 28.738 ( -1.781 0.000 -1.539) 2.353 28.788 ( 4.429 0.000 2.428) 5.051 29.392 ( -8.248 0.000 -4.896) 9.591 30.456 ( 2.609 0.000 1.539) 3.029 30.668 ( 2.767 0.000 -1.855) 3.331 31.214 ( 1.364 0.000 -0.255) 1.387 31.447 ( -2.345 0.000 3.954) 4.597 31.506 ( -3.154 0.000 5.822) 6.621 31.804 ( -1.104 0.000 -0.958) 1.462 32.005 ( -4.699 0.000 0.234) 4.705 32.212 ( -0.623 0.000 -3.253) 3.312 32.383 ( -0.023 0.000 0.087) 0.090 32.430 ( -0.261 0.000 1.092) 1.123 32.442 ( -1.674 0.000 -3.694) 4.056 32.512 ( 0.080 0.000 -1.261) 1.264 33.703 ( -0.136 0.000 0.844) 0.855 33.728 ( -0.236 0.000 0.164) 0.288 33.782 ( 0.077 0.000 -0.414) 0.421 33.962 ( -5.420 0.000 -3.324) 6.358 34.404 ( -1.654 0.000 3.320) 3.709 34.764 ( -1.302 0.000 -6.374) 6.506 35.665 ( 0.164 0.000 -4.200) 4.204 35.790 ( 0.658 0.000 -0.616) 0.901 35.791 ( 0.908 0.000 2.770) 2.915 35.837 ( 1.332 0.000 1.667) 2.134 35.928 ( 3.424 0.000 -1.822) 3.879 36.071 ( -1.485 0.000 -0.506) 1.569 36.214 ( 0.573 0.000 0.965) 1.123 36.250 ( -2.223 0.000 -0.854) 2.382 37.530 ( 5.561 0.000 15.025) 16.021 37.921 ( 10.542 0.000 8.827) 13.750 38.896 ( 4.745 0.000 -5.201) 7.040 39.169 ( -4.379 0.000 -8.305) 9.389 ======================= Grid point 39 (17/54) ======================= q-point: (-0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( -7.183 0.000 -4.372) 8.409 1.400 ( -1.937 0.000 -4.895) 5.265 1.515 ( 1.878 0.000 32.812) 32.866 1.919 ( -0.796 0.000 -17.848) 17.866 1.957 ( -6.552 0.000 11.048) 12.845 2.181 ( -2.693 0.000 -5.865) 6.454 2.267 ( 1.487 0.000 10.885) 10.986 2.574 ( -1.399 0.000 8.159) 8.278 2.655 ( -7.205 0.000 -10.861) 13.034 2.831 ( -2.481 0.000 -1.506) 2.902 2.873 ( -10.748 0.000 4.253) 11.559 2.987 ( -2.395 0.000 -1.281) 2.716 3.041 ( 4.238 0.000 1.280) 4.427 3.043 ( -1.571 0.000 2.827) 3.234 3.140 ( 2.491 0.000 3.547) 4.334 3.198 ( 0.227 0.000 1.770) 1.785 3.225 ( 0.514 0.000 3.681) 3.717 3.293 ( 2.452 0.000 -4.074) 4.755 3.371 ( -4.741 0.000 -4.602) 6.607 3.548 ( -1.317 0.000 -2.815) 3.108 3.587 ( -4.145 0.000 5.726) 7.069 3.723 ( 1.829 0.000 -4.932) 5.260 3.767 ( -4.847 0.000 -0.100) 4.848 3.807 ( 9.311 0.000 8.363) 12.515 3.858 ( -4.269 0.000 -4.151) 5.954 3.961 ( -3.336 0.000 -1.867) 3.822 4.052 ( 1.966 0.000 -11.318) 11.488 4.275 ( -10.059 0.000 2.173) 10.291 4.322 ( 3.040 0.000 14.185) 14.508 4.428 ( -1.434 0.000 -3.166) 3.476 4.501 ( 2.680 0.000 4.997) 5.671 4.550 ( 0.138 0.000 -2.182) 2.187 4.608 ( -3.872 0.000 -0.042) 3.873 4.776 ( 1.715 0.000 -6.478) 6.701 4.817 ( -1.142 0.000 -1.474) 1.865 4.927 ( -0.812 0.000 1.930) 2.094 5.106 ( 1.405 0.000 -1.037) 1.746 5.236 ( 2.369 0.000 0.752) 2.486 5.285 ( -1.841 0.000 -5.851) 6.134 5.320 ( -1.407 0.000 -2.277) 2.677 5.665 ( 2.907 0.000 3.826) 4.805 5.671 ( 0.558 0.000 -0.915) 1.071 5.812 ( -3.836 0.000 -2.807) 4.753 5.995 ( -0.732 0.000 -0.373) 0.822 6.636 ( -2.113 0.000 1.156) 2.409 6.885 ( 1.852 0.000 0.028) 1.852 7.226 ( 1.881 0.000 0.074) 1.883 7.241 ( 4.055 0.000 -1.067) 4.193 7.384 ( 0.056 0.000 3.157) 3.158 7.444 ( -0.811 0.000 -1.042) 1.320 7.821 ( 1.229 0.000 0.112) 1.234 7.852 ( -1.745 0.000 -1.875) 2.561 7.982 ( -0.358 0.000 1.166) 1.220 8.101 ( -1.668 0.000 1.177) 2.041 8.320 ( 1.126 0.000 2.906) 3.117 8.551 ( -1.592 0.000 -2.173) 2.694 8.872 ( -2.480 0.000 -1.150) 2.734 9.019 ( -0.113 0.000 -1.204) 1.209 9.067 ( -1.548 0.000 0.561) 1.647 9.163 ( -1.314 0.000 -0.941) 1.617 9.483 ( 1.141 0.000 0.583) 1.281 9.485 ( -0.123 0.000 0.138) 0.185 9.601 ( -0.288 0.000 -0.860) 0.907 9.634 ( 0.199 0.000 -0.259) 0.327 9.958 ( -1.186 0.000 -4.394) 4.551 10.170 ( -0.981 0.000 1.115) 1.485 10.639 ( 0.635 0.000 0.118) 0.646 10.644 ( 1.125 0.000 -0.150) 1.135 11.008 ( 0.719 0.000 -1.351) 1.530 11.084 ( 1.083 0.000 1.428) 1.792 11.123 ( 0.093 0.000 2.112) 2.114 11.222 ( -0.908 0.000 -0.492) 1.033 11.493 ( 1.251 0.000 -3.215) 3.450 11.543 ( 0.261 0.000 0.319) 0.412 11.562 ( -0.048 0.000 0.180) 0.187 11.646 ( 1.405 0.000 3.163) 3.461 12.099 ( -2.016 0.000 0.039) 2.017 12.164 ( 0.243 0.000 -0.759) 0.797 12.174 ( -1.755 0.000 -0.739) 1.904 12.191 ( -0.083 0.000 0.272) 0.285 12.652 ( -0.554 0.000 0.398) 0.682 12.725 ( 0.675 0.000 -0.747) 1.007 13.243 ( 0.236 0.000 -0.690) 0.729 13.243 ( -0.141 0.000 -0.597) 0.613 13.288 ( 0.242 0.000 0.537) 0.589 13.300 ( 0.735 0.000 0.491) 0.884 14.128 ( 0.136 0.000 1.592) 1.598 14.129 ( 0.589 0.000 -1.315) 1.441 14.139 ( 1.304 0.000 1.352) 1.878 14.299 ( -1.906 0.000 -1.101) 2.201 14.663 ( 0.237 0.000 1.413) 1.432 14.711 ( -0.770 0.000 -0.943) 1.217 15.061 ( -0.196 0.000 -2.843) 2.849 15.153 ( -0.842 0.000 0.176) 0.861 15.322 ( -1.531 0.000 2.616) 3.031 15.511 ( -3.004 0.000 -2.957) 4.215 15.527 ( -4.022 0.000 0.789) 4.099 15.618 ( -4.076 0.000 -0.845) 4.162 15.700 ( 1.743 0.000 0.943) 1.982 16.013 ( -5.506 0.000 -2.195) 5.927 16.338 ( 0.403 0.000 0.211) 0.455 16.353 ( -0.436 0.000 0.072) 0.442 16.817 ( -1.026 0.000 0.374) 1.092 16.833 ( -0.275 0.000 0.476) 0.550 17.026 ( 0.145 0.000 0.304) 0.336 17.102 ( 0.374 0.000 -0.136) 0.398 17.220 ( 1.302 0.000 -0.617) 1.441 17.315 ( 1.078 0.000 0.796) 1.340 20.369 ( -0.929 0.000 -1.602) 1.852 20.402 ( 0.442 0.000 5.541) 5.559 20.520 ( -0.977 0.000 1.390) 1.699 20.645 ( -3.702 0.000 -3.475) 5.078 21.328 ( 0.947 0.000 -0.012) 0.947 21.561 ( 1.970 0.000 1.114) 2.263 22.024 ( -0.706 0.000 0.519) 0.876 22.088 ( -1.959 0.000 -1.039) 2.218 22.668 ( 1.941 0.000 -4.340) 4.754 22.970 ( 3.226 0.000 0.422) 3.254 22.982 ( 3.551 0.000 -0.159) 3.554 23.142 ( 1.335 0.000 0.097) 1.338 26.858 ( 0.070 0.000 -0.618) 0.622 26.876 ( -0.141 0.000 0.640) 0.655 28.610 ( 1.161 0.000 1.580) 1.961 28.735 ( 1.589 0.000 -1.712) 2.336 28.873 ( 3.183 0.000 6.969) 7.661 29.241 ( -6.462 0.000 -10.736) 12.530 30.462 ( -2.233 0.000 1.769) 2.849 30.659 ( -3.444 0.000 -2.162) 4.066 31.284 ( 0.099 0.000 0.058) 0.115 31.379 ( 2.388 0.000 3.093) 3.907 31.445 ( -2.570 0.000 4.621) 5.288 31.790 ( -0.264 0.000 -1.326) 1.352 31.924 ( -3.284 0.000 -2.308) 4.013 32.286 ( 5.199 0.000 0.090) 5.200 32.375 ( -0.600 0.000 -0.039) 0.601 32.425 ( -0.212 0.000 0.877) 0.902 32.506 ( 9.167 0.000 -2.567) 9.520 32.517 ( 0.422 0.000 -1.042) 1.124 33.725 ( 0.026 0.000 0.117) 0.120 33.739 ( 3.354 0.000 2.630) 4.262 33.783 ( 0.046 0.000 -0.391) 0.393 33.922 ( 1.854 0.000 -5.285) 5.601 34.390 ( 0.173 0.000 2.654) 2.660 34.765 ( 1.852 0.000 -5.841) 6.127 35.658 ( -0.398 0.000 -3.558) 3.580 35.788 ( -0.729 0.000 -0.513) 0.891 35.802 ( 0.052 0.000 2.071) 2.072 35.846 ( -0.692 0.000 1.760) 1.891 35.987 ( 2.122 0.000 -2.845) 3.550 36.034 ( -1.929 0.000 1.056) 2.200 36.196 ( -1.084 0.000 0.166) 1.097 36.262 ( 2.234 0.000 -0.219) 2.245 37.452 ( -12.860 0.000 11.965) 17.565 38.100 ( 5.018 0.000 16.269) 17.026 38.864 ( -8.421 0.000 -7.519) 11.289 39.122 ( 1.426 0.000 -10.029) 10.130 ======================= Grid point 40 (18/54) ======================= q-point: (-0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.482 ( -11.406 0.000 -8.659) 14.321 1.301 ( -6.899 0.000 -1.408) 7.041 1.436 ( -11.996 0.000 40.958) 42.679 1.779 ( -9.713 0.000 -13.873) 16.935 1.828 ( -10.996 0.000 -0.190) 10.998 2.191 ( 2.510 0.000 3.244) 4.102 2.286 ( -23.064 0.000 -0.189) 23.065 2.338 ( 5.253 0.000 -0.416) 5.270 2.554 ( -0.850 0.000 7.465) 7.513 2.627 ( -14.115 0.000 -0.375) 14.120 2.776 ( -3.190 0.000 -0.233) 3.198 2.789 ( -23.560 0.000 -0.061) 23.560 2.943 ( -0.764 0.000 3.212) 3.301 3.138 ( 2.616 0.000 6.389) 6.904 3.164 ( 0.010 0.000 3.974) 3.974 3.233 ( -0.579 0.000 -3.027) 3.082 3.254 ( -10.732 0.000 -0.661) 10.752 3.283 ( -2.617 0.000 -5.200) 5.822 3.303 ( -4.291 0.000 4.709) 6.371 3.379 ( -8.352 0.000 -0.395) 8.362 3.496 ( -8.433 0.000 -0.546) 8.451 3.556 ( 3.789 0.000 -3.719) 5.309 3.762 ( 2.585 0.000 -6.484) 6.980 3.790 ( -2.329 0.000 -2.224) 3.221 3.938 ( -2.285 0.000 0.413) 2.322 4.016 ( -5.881 0.000 5.765) 8.235 4.023 ( 9.960 0.000 6.525) 11.907 4.079 ( -1.897 0.000 -18.681) 18.777 4.361 ( -5.907 0.000 -5.985) 8.409 4.388 ( 2.036 0.000 13.470) 13.624 4.500 ( -3.267 0.000 -0.148) 3.271 4.539 ( -0.883 0.000 -2.282) 2.447 4.583 ( 4.035 0.000 5.820) 7.082 4.780 ( -1.090 0.000 -3.399) 3.569 4.804 ( 0.782 0.000 -5.790) 5.843 4.893 ( -3.377 0.000 -0.333) 3.394 5.163 ( 3.064 0.000 0.711) 3.145 5.203 ( -3.710 0.000 -8.257) 9.053 5.324 ( 1.314 0.000 0.327) 1.355 5.341 ( 8.176 0.000 8.231) 11.602 5.684 ( -4.245 0.000 -2.550) 4.952 5.686 ( 0.964 0.000 -0.707) 1.196 5.766 ( 2.788 0.000 3.780) 4.697 5.975 ( -1.070 0.000 -0.641) 1.247 6.608 ( -0.468 0.000 1.363) 1.441 6.926 ( 1.540 0.000 0.606) 1.655 7.273 ( -1.413 0.000 -5.085) 5.278 7.294 ( 4.046 0.000 0.884) 4.142 7.426 ( 3.762 0.000 4.368) 5.765 7.442 ( 0.815 0.000 -0.505) 0.959 7.798 ( -2.925 0.000 1.416) 3.250 7.867 ( 0.977 0.000 2.267) 2.468 7.990 ( 2.457 0.000 -2.237) 3.323 8.036 ( -4.647 0.000 0.412) 4.665 8.334 ( 0.099 0.000 1.755) 1.758 8.521 ( -0.744 0.000 -1.138) 1.359 8.819 ( -2.337 0.000 0.657) 2.428 8.965 ( -5.095 0.000 -5.450) 7.461 9.019 ( -2.757 0.000 0.794) 2.869 9.111 ( -3.324 0.000 -1.233) 3.546 9.488 ( 0.478 0.000 0.694) 0.843 9.508 ( 0.784 0.000 0.094) 0.790 9.588 ( -0.835 0.000 -0.710) 1.096 9.632 ( -0.566 0.000 -0.205) 0.602 9.935 ( -0.228 0.000 -3.668) 3.675 10.141 ( -1.697 0.000 1.069) 2.005 10.672 ( 2.374 0.000 0.285) 2.391 10.683 ( 2.473 0.000 -0.337) 2.496 11.039 ( 2.134 0.000 -0.900) 2.317 11.113 ( 1.338 0.000 0.769) 1.544 11.130 ( 0.661 0.000 2.084) 2.187 11.185 ( -2.296 0.000 -0.499) 2.350 11.542 ( 3.593 0.000 -3.024) 4.697 11.551 ( 0.523 0.000 0.117) 0.536 11.572 ( 1.164 0.000 0.470) 1.256 11.697 ( 3.272 0.000 2.703) 4.244 12.032 ( -4.346 0.000 -0.700) 4.402 12.106 ( -4.364 0.000 -0.018) 4.364 12.168 ( 0.213 0.000 -1.011) 1.033 12.191 ( 0.043 0.000 0.500) 0.502 12.641 ( -0.470 0.000 0.528) 0.707 12.745 ( 1.184 0.000 -0.795) 1.426 13.242 ( 0.012 0.000 -0.923) 0.923 13.250 ( 0.420 0.000 -0.463) 0.625 13.293 ( 0.234 0.000 0.297) 0.378 13.321 ( 1.152 0.000 0.907) 1.466 14.096 ( -1.653 0.000 -0.941) 1.902 14.115 ( -1.530 0.000 1.269) 1.988 14.234 ( -4.315 0.000 -0.904) 4.409 14.236 ( 5.247 0.000 0.597) 5.281 14.648 ( -1.733 0.000 1.149) 2.080 14.687 ( -1.502 0.000 -1.619) 2.208 15.044 ( -1.295 0.000 -3.060) 3.323 15.123 ( -1.942 0.000 -0.454) 1.994 15.212 ( -8.690 0.000 -1.072) 8.756 15.391 ( -8.059 0.000 0.678) 8.087 15.429 ( -4.749 0.000 -3.346) 5.810 15.470 ( -9.071 0.000 -0.701) 9.098 15.736 ( 1.098 0.000 1.757) 2.072 15.855 ( -9.255 0.000 -2.879) 9.693 16.331 ( -1.016 0.000 -0.255) 1.048 16.352 ( 0.390 0.000 0.210) 0.443 16.769 ( -3.160 0.000 0.001) 3.160 16.834 ( 0.349 0.000 0.664) 0.750 17.056 ( 2.418 0.000 0.674) 2.510 17.113 ( 0.702 0.000 0.276) 0.754 17.262 ( 2.396 0.000 0.412) 2.431 17.357 ( 2.713 0.000 0.028) 2.713 20.334 ( -2.099 0.000 -1.690) 2.695 20.381 ( -2.660 0.000 5.558) 6.162 20.485 ( -2.214 0.000 1.248) 2.542 20.557 ( -3.787 0.000 -3.822) 5.381 21.372 ( 3.010 0.000 -0.881) 3.136 21.600 ( 1.503 0.000 1.402) 2.055 22.002 ( -1.119 0.000 0.881) 1.424 22.031 ( -3.007 0.000 -1.010) 3.173 22.758 ( 6.914 0.000 -3.671) 7.828 23.073 ( 5.987 0.000 -0.184) 5.990 23.111 ( 8.006 0.000 0.176) 8.008 23.179 ( 2.055 0.000 0.114) 2.059 26.853 ( -0.460 0.000 -1.070) 1.165 26.878 ( 0.261 0.000 1.080) 1.111 28.651 ( 2.547 0.000 2.012) 3.246 28.800 ( 4.647 0.000 -2.282) 5.177 28.905 ( -1.203 0.000 9.794) 9.867 29.066 ( -10.981 0.000 -20.349) 23.123 30.374 ( -5.831 0.000 1.669) 6.065 30.532 ( -8.219 0.000 -2.134) 8.491 31.199 ( -3.885 0.000 -2.205) 4.467 31.404 ( -1.281 0.000 -0.288) 1.313 31.584 ( 10.540 0.000 10.444) 14.839 31.795 ( 0.950 0.000 -0.532) 1.088 31.873 ( -0.339 0.000 -0.704) 0.781 32.360 ( 2.119 0.000 0.691) 2.229 32.375 ( 0.947 0.000 -1.162) 1.498 32.423 ( 0.014 0.000 0.831) 0.831 32.527 ( 0.583 0.000 -0.961) 1.124 32.813 ( 18.558 0.000 -1.823) 18.648 33.728 ( 0.230 0.000 -0.283) 0.365 33.784 ( 0.038 0.000 -0.143) 0.148 33.829 ( 4.529 0.000 4.214) 6.186 34.041 ( 10.372 0.000 -9.258) 13.903 34.415 ( 2.153 0.000 1.916) 2.882 34.826 ( 4.026 0.000 -5.917) 7.157 35.647 ( -0.470 0.000 -3.600) 3.631 35.764 ( -1.436 0.000 -0.393) 1.489 35.789 ( -1.663 0.000 -0.331) 1.696 35.814 ( -2.178 0.000 1.366) 2.571 35.984 ( -1.994 0.000 -2.345) 3.078 36.018 ( 0.090 0.000 1.350) 1.353 36.190 ( 0.361 0.000 1.514) 1.556 36.314 ( 2.574 0.000 -0.874) 2.718 37.056 ( -24.964 0.000 14.060) 28.651 38.117 ( -4.805 0.000 14.255) 15.043 38.671 ( -6.159 0.000 -2.627) 6.696 39.153 ( 1.490 0.000 -8.304) 8.437 ======================= Grid point 41 (19/54) ======================= q-point: (-0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.204 ( -11.934 0.000 -4.871) 12.890 1.124 ( -30.799 0.000 22.902) 38.381 1.132 ( -8.254 0.000 -2.034) 8.501 1.218 ( -28.821 0.000 28.996) 40.883 1.618 ( -3.748 0.000 -5.142) 6.363 1.885 ( -27.877 0.000 -8.275) 29.079 2.195 ( -17.425 0.000 -0.468) 17.431 2.242 ( 1.635 0.000 9.605) 9.743 2.384 ( -12.176 0.000 8.000) 14.569 2.461 ( 5.978 0.000 -4.159) 7.282 2.549 ( 0.141 0.000 4.707) 4.709 2.577 ( -33.544 0.000 2.112) 33.611 2.702 ( -3.623 0.000 6.497) 7.438 2.956 ( 0.502 0.000 -0.785) 0.932 3.014 ( -12.557 0.000 -2.231) 12.753 3.065 ( -5.308 0.000 -5.938) 7.965 3.243 ( -1.314 0.000 -6.151) 6.290 3.256 ( 1.462 0.000 -0.712) 1.626 3.300 ( 4.440 0.000 4.015) 5.986 3.415 ( 2.061 0.000 2.107) 2.947 3.550 ( 3.760 0.000 -0.781) 3.840 3.664 ( 4.815 0.000 -2.495) 5.423 3.751 ( -2.558 0.000 -10.792) 11.091 3.819 ( 2.885 0.000 -6.677) 7.273 3.845 ( -2.141 0.000 6.684) 7.019 3.970 ( -3.590 0.000 -3.228) 4.828 4.065 ( 2.774 0.000 -12.649) 12.950 4.172 ( -10.222 0.000 -4.639) 11.226 4.185 ( 3.972 0.000 6.093) 7.273 4.428 ( 2.237 0.000 6.683) 7.048 4.494 ( 1.359 0.000 0.620) 1.494 4.571 ( 3.627 0.000 -0.396) 3.649 4.636 ( 0.188 0.000 4.508) 4.512 4.735 ( -7.735 0.000 -7.195) 10.564 4.766 ( -0.575 0.000 -4.682) 4.717 4.855 ( 2.299 0.000 4.542) 5.091 5.171 ( 0.651 0.000 -7.041) 7.071 5.222 ( 2.476 0.000 2.906) 3.817 5.357 ( 1.430 0.000 1.528) 2.093 5.560 ( -1.271 0.000 -3.829) 4.034 5.677 ( 22.486 0.000 19.139) 29.528 5.705 ( 0.707 0.000 -1.861) 1.991 5.847 ( 3.854 0.000 6.832) 7.845 5.953 ( -0.916 0.000 -1.148) 1.469 6.616 ( 0.900 0.000 2.103) 2.287 6.930 ( -1.323 0.000 -0.659) 1.478 7.223 ( -2.065 0.000 -3.390) 3.970 7.370 ( 2.747 0.000 1.970) 3.380 7.476 ( 2.180 0.000 0.790) 2.319 7.501 ( 2.374 0.000 0.399) 2.407 7.732 ( -2.368 0.000 2.852) 3.707 7.874 ( -1.206 0.000 1.016) 1.577 7.902 ( -7.348 0.000 -0.733) 7.384 8.018 ( -3.843 0.000 -8.934) 9.726 8.331 ( -0.368 0.000 -0.288) 0.467 8.523 ( 0.653 0.000 0.279) 0.710 8.780 ( -1.652 0.000 1.652) 2.337 8.821 ( -6.742 0.000 -5.662) 8.804 8.962 ( -2.670 0.000 0.630) 2.743 9.043 ( -2.515 0.000 -1.191) 2.782 9.507 ( 1.113 0.000 1.335) 1.739 9.516 ( 0.289 0.000 -0.371) 0.470 9.573 ( -0.410 0.000 -0.194) 0.453 9.608 ( -1.674 0.000 0.021) 1.674 9.960 ( 3.024 0.000 -1.449) 3.353 10.112 ( -0.982 0.000 1.208) 1.557 10.723 ( 2.127 0.000 -0.014) 2.127 10.738 ( 2.504 0.000 -0.044) 2.504 11.085 ( 2.034 0.000 -0.426) 2.078 11.131 ( 0.389 0.000 0.041) 0.391 11.142 ( -1.554 0.000 -0.298) 1.582 11.163 ( 2.553 0.000 1.969) 3.224 11.566 ( 0.874 0.000 0.018) 0.874 11.611 ( 2.258 0.000 0.395) 2.292 11.629 ( 4.400 0.000 -3.081) 5.372 11.774 ( 3.472 0.000 2.057) 4.035 11.923 ( -5.612 0.000 -2.330) 6.077 12.012 ( -4.138 0.000 2.092) 4.636 12.168 ( -0.215 0.000 -1.118) 1.139 12.190 ( -0.174 0.000 0.544) 0.572 12.636 ( -0.014 0.000 1.000) 1.001 12.768 ( 0.927 0.000 -1.123) 1.456 13.242 ( 0.093 0.000 -1.247) 1.251 13.257 ( 0.331 0.000 -0.220) 0.397 13.298 ( 0.339 0.000 0.309) 0.459 13.341 ( 0.498 0.000 1.225) 1.323 14.054 ( -2.595 0.000 -0.251) 2.607 14.070 ( -2.389 0.000 -0.384) 2.419 14.134 ( -4.652 0.000 0.733) 4.709 14.255 ( -9.792 0.000 -12.231) 15.667 14.603 ( -2.626 0.000 -1.244) 2.905 14.625 ( -3.943 0.000 -1.557) 4.240 14.993 ( -3.617 0.000 -2.453) 4.370 15.021 ( -4.940 0.000 -2.287) 5.444 15.080 ( -2.034 0.000 -0.297) 2.055 15.241 ( -5.483 0.000 0.401) 5.498 15.293 ( -6.911 0.000 -0.384) 6.922 15.305 ( -6.008 0.000 2.692) 6.584 15.688 ( -4.973 0.000 0.719) 5.025 15.743 ( -0.499 0.000 0.593) 0.775 16.311 ( -0.767 0.000 -0.023) 0.767 16.358 ( 0.103 0.000 -0.521) 0.531 16.708 ( -2.302 0.000 0.098) 2.304 16.842 ( 0.082 0.000 -0.018) 0.084 17.100 ( 1.252 0.000 -0.662) 1.416 17.139 ( 1.864 0.000 1.467) 2.373 17.306 ( 1.570 0.000 1.400) 2.103 17.412 ( 2.217 0.000 -0.568) 2.289 20.292 ( -1.598 0.000 -1.823) 2.424 20.315 ( -3.449 0.000 3.672) 5.038 20.441 ( -1.766 0.000 1.059) 2.059 20.503 ( -1.151 0.000 -2.563) 2.809 21.432 ( 2.357 0.000 -2.603) 3.512 21.602 ( -2.589 0.000 -1.671) 3.081 21.976 ( -1.930 0.000 -0.892) 2.126 21.987 ( -0.417 0.000 1.360) 1.423 22.946 ( 11.074 0.000 -0.186) 11.076 23.187 ( 4.373 0.000 -0.835) 4.452 23.217 ( 1.270 0.000 0.603) 1.405 23.270 ( 6.333 0.000 0.408) 6.346 26.840 ( -0.635 0.000 -1.460) 1.592 26.886 ( 0.434 0.000 1.471) 1.533 28.704 ( -21.112 0.000 -20.113) 29.159 28.706 ( 2.285 0.000 2.424) 3.331 28.831 ( -6.476 0.000 8.072) 10.349 28.908 ( 5.223 0.000 -3.078) 6.063 30.251 ( -5.341 0.000 1.068) 5.447 30.351 ( -7.976 0.000 -1.378) 8.094 31.151 ( -0.874 0.000 -0.015) 0.874 31.387 ( -0.389 0.000 -5.387) 5.401 31.693 ( 0.434 0.000 3.737) 3.763 31.812 ( 1.137 0.000 -0.185) 1.152 31.979 ( 7.613 0.000 13.103) 15.154 32.394 ( 1.304 0.000 -0.694) 1.477 32.420 ( 3.498 0.000 1.248) 3.714 32.427 ( 0.221 0.000 0.996) 1.020 32.537 ( 0.366 0.000 -1.086) 1.147 33.179 ( 14.758 0.000 -2.257) 14.930 33.734 ( 0.300 0.000 -0.772) 0.828 33.785 ( 0.005 0.000 0.161) 0.162 33.904 ( 1.927 0.000 4.134) 4.561 34.340 ( 18.150 0.000 -15.695) 23.995 34.482 ( 4.152 0.000 0.490) 4.181 34.901 ( 2.718 0.000 -6.896) 7.412 35.623 ( -2.367 0.000 -4.364) 4.965 35.708 ( -7.022 0.000 -4.784) 8.497 35.735 ( -1.215 0.000 -0.308) 1.253 35.772 ( -1.620 0.000 1.041) 1.926 35.933 ( -2.011 0.000 -1.548) 2.538 36.029 ( 1.569 0.000 2.930) 3.323 36.202 ( 0.475 0.000 2.566) 2.610 36.360 ( 1.754 0.000 -1.170) 2.108 36.504 ( -26.476 0.000 22.257) 34.588 37.940 ( -11.137 0.000 -7.134) 13.226 38.729 ( 13.283 0.000 18.940) 23.133 39.180 ( 1.728 0.000 -5.228) 5.506 ======================= Grid point 42 (20/54) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.578 ( -0.691 16.708 15.238) 22.624 0.885 ( -1.813 28.592 11.480) 30.864 1.278 ( -1.940 9.296 -2.655) 9.861 1.445 ( 2.609 24.346 10.697) 26.720 1.626 ( 3.635 21.156 5.503) 22.160 1.839 ( 2.977 6.377 -1.639) 7.226 1.919 ( -2.058 -11.611 -0.094) 11.793 2.028 ( -0.589 11.651 4.206) 12.401 2.227 ( -0.184 -13.661 -2.139) 13.829 2.315 ( -1.142 -2.028 12.715) 12.926 2.406 ( 1.221 12.110 9.274) 15.302 2.585 ( -1.943 -1.290 9.784) 10.058 2.709 ( 0.621 6.893 2.714) 7.434 2.786 ( -1.984 -5.390 -7.396) 9.364 3.108 ( 1.933 8.273 -5.758) 10.263 3.120 ( 0.273 5.231 -1.384) 5.418 3.184 ( 1.475 -0.607 -0.703) 1.743 3.276 ( -2.750 0.552 0.568) 2.862 3.328 ( 1.027 -1.071 -2.441) 2.857 3.367 ( -3.235 -2.097 0.778) 3.933 3.565 ( 2.796 -8.424 -3.465) 9.528 3.635 ( -2.041 -4.921 -1.213) 5.464 3.676 ( -0.784 4.278 -2.094) 4.827 3.765 ( -0.139 -9.063 -2.304) 9.353 3.810 ( -0.211 -1.443 3.554) 3.842 3.915 ( -0.887 1.953 -0.713) 2.260 3.963 ( -1.680 -1.331 -5.733) 6.121 4.128 ( 1.140 4.969 2.260) 5.576 4.318 ( 1.691 0.687 1.113) 2.138 4.412 ( -4.436 1.198 0.555) 4.629 4.494 ( 0.299 -0.357 1.396) 1.472 4.580 ( 0.732 5.662 -4.805) 7.462 4.621 ( 1.036 -2.300 0.964) 2.701 4.809 ( -0.840 5.834 -3.442) 6.825 4.828 ( -0.560 7.275 -2.860) 7.837 4.991 ( 2.111 2.890 2.490) 4.359 5.195 ( -0.659 -6.858 -3.710) 7.825 5.228 ( 2.876 -0.584 1.198) 3.170 5.392 ( -0.310 1.907 1.768) 2.619 5.473 ( -2.065 -5.182 -0.254) 5.585 5.572 ( 0.214 -4.817 5.144) 7.050 5.789 ( -0.194 -7.310 0.470) 7.328 5.906 ( 0.586 -4.863 -4.114) 6.396 6.026 ( -1.695 -5.825 2.038) 6.400 6.676 ( -0.559 4.131 -0.016) 4.169 6.840 ( 0.528 -6.065 -0.396) 6.101 7.160 ( -1.629 -2.785 -2.668) 4.187 7.280 ( 0.169 -3.776 2.570) 4.571 7.468 ( -0.043 5.513 1.210) 5.644 7.542 ( 1.309 1.127 1.561) 2.327 7.645 ( 1.579 -3.006 1.413) 3.678 7.733 ( 0.183 -3.891 -0.007) 3.895 7.824 ( 2.483 -1.380 -0.239) 2.851 7.866 ( -0.300 -1.705 0.535) 1.812 8.262 ( -0.716 -8.138 -1.173) 8.253 8.475 ( 2.694 -11.342 1.811) 11.797 8.797 ( -1.031 6.063 0.193) 6.153 8.827 ( 0.561 7.996 -0.645) 8.042 8.979 ( 0.383 4.084 -0.042) 4.102 9.089 ( -0.296 4.455 -1.476) 4.702 9.401 ( 0.353 -8.045 1.551) 8.200 9.499 ( -0.004 -5.875 -0.550) 5.901 9.605 ( -0.202 6.304 -0.437) 6.323 9.643 ( -0.276 5.400 0.010) 5.407 10.009 ( 1.648 -1.738 -0.738) 2.506 10.038 ( -1.899 -3.023 0.971) 3.699 10.755 ( 0.423 -8.357 -0.392) 8.377 10.774 ( -0.817 -9.952 -1.064) 10.042 10.988 ( 0.224 -0.148 0.079) 0.280 11.111 ( -0.746 2.221 0.048) 2.344 11.206 ( 0.089 7.649 0.157) 7.652 11.235 ( -0.362 6.879 -1.013) 6.963 11.636 ( 2.899 -5.695 -1.620) 6.592 11.665 ( -3.627 -6.974 -2.319) 8.195 11.791 ( 0.489 8.783 -1.622) 8.945 11.819 ( -0.510 7.478 -0.632) 7.522 11.866 ( 2.052 4.201 1.082) 4.799 11.915 ( -1.830 -2.259 2.318) 3.718 12.221 ( -1.064 0.588 1.354) 1.820 12.260 ( 0.423 3.362 -0.336) 3.405 12.953 ( -0.108 21.038 -0.623) 21.048 13.039 ( -0.383 19.770 2.487) 19.930 13.351 ( -0.444 8.705 0.203) 8.718 13.381 ( 0.004 9.177 -0.120) 9.178 13.477 ( 0.081 13.284 -0.088) 13.284 13.829 ( -9.131 11.811 -11.346) 18.752 13.942 ( 1.765 -2.788 0.178) 3.304 14.011 ( -0.587 1.357 -1.452) 2.072 14.108 ( 2.344 1.281 1.609) 3.118 14.199 ( -1.739 10.330 -19.456) 22.097 14.430 ( -0.531 -10.576 -0.793) 10.619 14.493 ( 0.708 -5.464 -4.747) 7.273 14.820 ( -0.876 -13.278 -0.168) 13.308 14.917 ( -0.714 -7.280 -1.138) 7.403 15.022 ( 6.535 -19.547 2.135) 20.720 15.071 ( 10.412 -10.332 2.841) 14.941 15.427 ( 0.145 14.485 0.500) 14.494 15.465 ( 0.346 8.524 -0.239) 8.535 15.615 ( 0.552 4.124 -2.647) 4.932 15.670 ( 4.717 -5.048 -0.712) 6.946 16.279 ( 0.234 -1.901 0.049) 1.916 16.319 ( -0.162 -3.234 -0.916) 3.365 16.536 ( 0.566 -13.374 1.161) 13.437 16.656 ( -2.918 -11.882 -0.033) 12.236 17.113 ( -0.726 1.543 -0.140) 1.711 17.161 ( 0.302 1.994 0.630) 2.113 17.371 ( 0.686 1.035 -1.333) 1.821 17.426 ( -0.164 -1.239 -0.726) 1.446 20.251 ( -1.087 -0.018 1.721) 2.036 20.355 ( 0.806 3.731 -1.792) 4.217 20.391 ( -0.031 -0.869 0.594) 1.053 20.527 ( 0.571 1.033 0.001) 1.180 21.370 ( -2.233 1.388 0.414) 2.662 21.505 ( -0.544 -0.177 0.021) 0.572 21.900 ( 0.220 -4.301 -1.128) 4.452 21.952 ( 0.134 -3.857 0.841) 3.950 23.101 ( 0.061 4.245 0.729) 4.308 23.236 ( -0.490 1.197 1.196) 1.762 23.339 ( -0.499 5.671 -1.745) 5.954 23.381 ( 0.134 3.186 0.514) 3.230 27.001 ( 0.042 13.027 0.804) 13.052 27.361 ( -5.678 20.547 -16.610) 27.024 28.217 ( -2.384 -20.197 0.011) 20.338 28.417 ( 10.238 -20.235 2.483) 22.813 29.230 ( -4.115 23.966 0.909) 24.334 29.315 ( 11.160 19.797 0.815) 22.740 30.221 ( -0.488 1.420 1.846) 2.380 30.714 ( 10.715 -4.544 -18.225) 21.624 31.394 ( -0.175 5.675 -7.357) 9.294 31.500 ( -2.265 25.217 -13.676) 28.776 31.711 ( -0.527 3.404 4.144) 5.388 31.830 ( 0.887 -1.332 -0.307) 1.629 32.014 ( 1.889 -6.426 14.251) 15.747 32.249 ( 1.399 -11.454 0.316) 11.544 32.345 ( 1.491 0.498 -6.708) 6.890 32.732 ( -0.817 8.824 -3.994) 9.720 32.864 ( 1.917 14.151 -9.877) 17.363 33.430 ( 2.494 24.366 -29.899) 38.651 33.633 ( -1.423 -9.319 1.070) 9.488 33.920 ( -3.029 13.519 -3.394) 14.263 34.023 ( -0.581 7.753 0.334) 7.782 34.476 ( -0.012 -3.983 2.598) 4.755 34.648 ( 13.056 -5.969 -27.014) 30.592 34.801 ( -7.764 -6.312 -9.092) 13.520 35.523 ( -3.462 -0.260 0.197) 3.477 35.538 ( -2.841 -0.585 0.333) 2.920 35.731 ( -0.252 0.856 0.185) 0.911 35.762 ( -0.141 0.462 1.750) 1.815 35.967 ( -0.308 1.380 0.815) 1.633 35.988 ( -3.101 1.472 1.348) 3.688 36.152 ( 3.871 -2.965 6.896) 8.446 36.338 ( -1.077 -3.611 -0.165) 3.771 36.396 ( 4.407 7.680 27.250) 28.653 37.562 ( -23.445 -18.180 22.493) 37.231 38.163 ( 11.174 -29.693 30.481) 43.996 39.040 ( 1.493 -15.863 -4.546) 16.569 ======================= Grid point 43 (21/54) ======================= q-point: ( 0.14 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.931 ( 7.240 18.621 17.495) 26.557 1.280 ( 37.440 11.040 3.252) 39.169 1.417 ( 8.886 18.691 -3.380) 20.970 1.682 ( 20.345 27.020 14.715) 36.885 1.907 ( 12.787 16.000 0.687) 20.493 2.040 ( 15.672 14.396 -0.966) 21.302 2.081 ( 6.398 -10.927 4.180) 13.335 2.243 ( 19.661 -10.147 -6.576) 23.081 2.268 ( 2.299 -5.051 5.865) 8.074 2.286 ( 6.308 -7.415 12.542) 15.877 2.534 ( 2.178 -0.279 7.263) 7.587 2.586 ( 12.176 -0.101 7.193) 14.142 2.736 ( 3.024 -0.343 -6.393) 7.080 2.812 ( 4.714 5.566 4.809) 8.736 3.115 ( -3.812 0.614 -1.754) 4.241 3.145 ( 1.876 4.902 -2.174) 5.681 3.177 ( 5.758 8.445 -3.780) 10.898 3.262 ( -3.157 -0.177 -4.612) 5.592 3.308 ( -0.983 0.878 1.348) 1.885 3.364 ( 3.167 -0.710 0.838) 3.352 3.553 ( -4.953 0.748 -1.488) 5.226 3.593 ( -1.515 -2.534 -6.056) 6.738 3.732 ( 4.831 -6.989 -0.023) 8.496 3.756 ( -0.483 -5.011 -6.993) 8.617 3.804 ( 1.118 -2.409 4.631) 5.339 3.894 ( -1.183 1.320 0.850) 1.965 3.949 ( 0.444 -0.603 -2.486) 2.596 4.118 ( -2.090 5.860 0.011) 6.221 4.326 ( -2.936 2.857 2.072) 4.591 4.339 ( 1.184 -0.533 -0.429) 1.367 4.492 ( -0.641 -1.183 1.044) 1.703 4.550 ( -1.711 4.285 -3.887) 6.033 4.702 ( 3.642 -0.055 -0.412) 3.666 4.752 ( -1.692 2.615 -6.821) 7.499 4.842 ( -0.083 8.348 -0.840) 8.390 4.999 ( -1.857 -1.683 1.725) 3.042 5.142 ( -3.358 -8.840 -1.775) 9.621 5.286 ( 2.279 0.454 1.258) 2.642 5.392 ( 0.055 2.006 1.200) 2.338 5.436 ( -1.649 -3.675 3.500) 5.336 5.556 ( -1.076 -1.090 0.263) 1.554 5.727 ( -5.359 -0.836 -1.671) 5.675 5.830 ( -1.978 -4.583 -0.698) 5.040 5.988 ( -0.699 1.432 2.897) 3.306 6.669 ( -0.019 1.749 2.387) 2.959 6.837 ( -0.956 -5.445 -1.386) 5.699 7.154 ( -0.147 -5.565 -2.838) 6.248 7.322 ( 1.288 -5.558 1.932) 6.024 7.445 ( -2.249 4.698 0.817) 5.272 7.547 ( -0.377 0.971 0.686) 1.247 7.680 ( 1.605 -3.787 1.817) 4.497 7.787 ( 4.326 -1.415 -1.270) 4.725 7.864 ( 1.382 -2.956 1.824) 3.738 7.950 ( 3.601 -5.485 -2.379) 6.979 8.263 ( 0.715 -6.885 -1.224) 7.030 8.553 ( 3.505 -8.625 -0.263) 9.314 8.798 ( 1.840 6.599 -0.057) 6.851 8.891 ( 4.753 2.891 -0.051) 5.564 9.024 ( 3.180 5.464 -0.360) 6.333 9.107 ( 2.134 3.792 -1.321) 4.547 9.411 ( 0.360 -7.498 1.480) 7.651 9.503 ( 0.357 -5.812 -0.584) 5.852 9.597 ( -0.255 7.423 -0.359) 7.436 9.665 ( 1.793 4.651 0.030) 4.985 9.984 ( -2.907 -2.990 -0.179) 4.174 9.996 ( -1.139 -3.568 0.478) 3.775 10.722 ( -2.467 -8.569 0.282) 8.921 10.747 ( -2.284 -8.851 -2.014) 9.360 10.990 ( -0.164 -0.327 0.553) 0.663 11.085 ( -0.988 2.853 0.463) 3.055 11.191 ( -1.423 7.000 0.548) 7.164 11.198 ( -2.424 6.938 -0.816) 7.394 11.576 ( -4.280 -5.082 -2.854) 7.231 11.662 ( -1.266 -5.730 1.545) 6.068 11.772 ( -3.659 11.325 -1.159) 11.958 11.792 ( -2.623 11.199 -0.281) 11.505 11.864 ( 4.689 -3.251 -1.041) 5.800 11.969 ( 3.705 -2.309 2.554) 5.058 12.206 ( -0.178 0.472 0.555) 0.750 12.270 ( 0.344 3.430 -0.129) 3.450 12.933 ( -1.324 21.622 0.408) 21.666 13.005 ( -2.465 20.927 1.605) 21.133 13.335 ( -0.776 7.754 0.216) 7.795 13.382 ( 0.011 9.731 -0.191) 9.733 13.471 ( -0.465 13.112 0.239) 13.122 13.611 ( -6.202 22.892 -5.847) 24.427 13.979 ( 2.044 -2.596 -0.258) 3.314 14.018 ( 2.109 -1.352 -1.680) 3.016 14.145 ( 1.789 -2.630 -0.710) 3.259 14.252 ( 1.473 2.014 -4.318) 4.987 14.439 ( 1.407 -10.503 -0.325) 10.602 14.501 ( 0.336 -12.328 -1.524) 12.427 14.853 ( 4.426 -12.545 -0.651) 13.319 14.951 ( 3.626 -6.506 -2.048) 7.725 15.015 ( -0.709 -13.180 -0.048) 13.199 15.339 ( 7.593 -5.282 -2.292) 9.529 15.485 ( 5.218 13.160 1.269) 14.214 15.517 ( 2.959 1.997 -0.137) 3.572 15.590 ( -0.936 -0.495 0.809) 1.332 15.859 ( 8.271 -14.985 -3.981) 17.573 16.287 ( 0.456 -2.368 0.210) 2.421 16.312 ( -0.284 -2.862 -0.845) 2.998 16.576 ( 2.845 -13.487 1.760) 13.896 16.633 ( 1.242 -10.657 -1.320) 10.810 17.096 ( -0.831 2.017 0.094) 2.183 17.158 ( -0.731 1.928 0.459) 2.113 17.350 ( -2.185 1.589 -0.043) 2.702 17.405 ( -1.779 -0.986 -0.713) 2.155 20.253 ( 1.066 0.321 1.161) 1.608 20.365 ( 0.689 4.152 -1.198) 4.376 20.410 ( 1.718 -1.381 1.295) 2.556 20.568 ( 3.266 0.553 0.259) 3.323 21.373 ( 1.236 2.124 -1.994) 3.165 21.490 ( -1.120 -1.249 0.315) 1.707 21.915 ( 1.076 -3.757 -1.017) 4.038 21.975 ( 1.958 -4.001 0.651) 4.502 23.040 ( -5.357 6.744 -0.511) 8.627 23.189 ( -3.802 1.639 1.616) 4.445 23.242 ( -6.166 4.147 -0.583) 7.454 23.310 ( -6.483 2.652 0.514) 7.023 26.995 ( -0.637 13.101 0.447) 13.124 27.167 ( -7.664 19.887 -5.308) 21.964 28.185 ( -1.079 -21.625 0.661) 21.662 28.496 ( -2.127 -26.076 -1.718) 26.219 29.182 ( -0.363 24.279 -1.948) 24.360 29.674 ( 16.254 9.189 1.118) 18.705 30.267 ( 4.257 -0.125 1.207) 4.427 30.877 ( 2.057 0.584 -13.556) 13.724 31.346 ( -4.991 17.642 -7.350) 19.753 31.383 ( -3.663 10.896 -4.556) 12.365 31.685 ( -2.386 4.016 5.154) 6.956 31.827 ( -0.848 -2.105 -0.371) 2.299 32.016 ( -1.533 -7.179 12.407) 14.416 32.251 ( -1.192 -11.363 1.850) 11.575 32.271 ( -6.066 -3.248 -2.029) 7.173 32.652 ( -7.248 1.322 -7.401) 10.443 32.826 ( -4.178 10.454 -5.645) 12.594 33.072 ( -20.145 28.292 -5.097) 35.104 33.593 ( -2.327 -10.734 0.501) 10.995 33.889 ( -0.919 12.168 -4.009) 12.844 33.991 ( -2.219 8.408 -0.138) 8.697 34.402 ( -13.690 -5.398 -4.960) 15.529 34.489 ( -8.167 -5.589 -2.328) 10.167 34.784 ( 0.300 -7.163 -11.873) 13.869 35.578 ( 5.543 0.520 -4.358) 7.070 35.630 ( 6.738 -0.655 -2.417) 7.188 35.741 ( 1.118 0.580 0.251) 1.284 35.772 ( 0.906 0.262 1.683) 1.929 35.877 ( -1.319 2.962 2.329) 3.992 36.068 ( 2.029 -0.779 -2.960) 3.672 36.204 ( 0.688 -0.197 2.186) 2.300 36.319 ( -0.551 -3.707 -0.471) 3.777 36.744 ( 23.742 4.427 24.756) 34.586 37.420 ( 6.669 -5.511 17.051) 19.120 38.434 ( 11.994 -19.975 8.667) 24.859 39.076 ( 2.135 -14.679 -4.356) 15.459 ======================= Grid point 44 (22/54) ======================= q-point: ( 0.29 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.144 ( 11.021 13.294 14.818) 22.754 1.477 ( 1.183 17.647 -10.429) 20.532 1.714 ( 7.504 34.148 5.453) 35.385 1.998 ( 2.324 17.369 2.957) 17.772 2.139 ( -1.575 1.223 4.793) 5.192 2.173 ( 0.123 -4.436 6.766) 8.092 2.265 ( 3.103 1.474 8.500) 9.168 2.357 ( 20.324 -6.156 9.512) 23.269 2.467 ( 15.365 -3.971 10.490) 19.023 2.665 ( 11.975 3.537 -3.307) 12.917 2.729 ( 9.959 -9.699 1.437) 13.976 2.757 ( 4.758 -4.223 0.384) 6.373 2.885 ( 9.405 -6.859 2.157) 11.838 3.002 ( 4.413 7.843 -3.565) 9.680 3.072 ( 3.211 2.205 -2.508) 4.633 3.179 ( -1.830 0.487 -6.705) 6.967 3.240 ( 4.353 2.026 0.053) 4.802 3.277 ( 2.435 6.315 1.661) 6.969 3.325 ( -0.153 -2.328 -2.246) 3.239 3.476 ( 2.648 1.903 0.935) 3.392 3.505 ( 11.434 -0.880 1.907) 11.626 3.609 ( 1.928 -2.855 -1.413) 3.724 3.724 ( -2.310 -0.411 -1.340) 2.702 3.757 ( 2.292 -1.832 -7.965) 8.488 3.842 ( -0.768 4.931 0.943) 5.079 3.914 ( 1.422 -5.438 1.377) 5.787 3.961 ( 1.049 1.988 -0.061) 2.248 4.114 ( 5.649 5.276 1.338) 7.845 4.345 ( 4.638 -0.444 -0.690) 4.710 4.368 ( 1.275 -1.205 -0.424) 1.805 4.472 ( -1.125 -1.817 -1.308) 2.505 4.519 ( -0.982 6.416 -3.462) 7.356 4.707 ( 0.234 1.288 -6.620) 6.748 4.771 ( 0.397 -0.366 -2.343) 2.404 4.811 ( -2.319 4.568 -1.582) 5.361 4.940 ( -2.804 -3.606 0.759) 4.631 5.088 ( -1.406 -7.087 -0.915) 7.282 5.293 ( -3.133 1.946 5.279) 6.440 5.372 ( -1.018 0.654 -1.099) 1.634 5.429 ( 0.676 2.588 0.832) 2.801 5.557 ( 1.573 -0.467 -1.558) 2.262 5.665 ( -0.402 2.099 -1.475) 2.597 5.823 ( 0.285 -4.580 1.826) 4.938 5.980 ( -0.451 -0.143 1.070) 1.170 6.665 ( -0.642 -0.037 2.348) 2.434 6.817 ( -0.734 -4.797 -0.703) 4.903 7.124 ( -2.031 -6.196 -2.342) 6.928 7.325 ( -0.864 -6.305 2.263) 6.754 7.372 ( -4.364 3.486 0.656) 5.624 7.543 ( -0.235 2.413 -0.062) 2.425 7.738 ( 3.396 -3.081 1.337) 4.776 7.857 ( 1.925 -0.825 -1.185) 2.406 7.901 ( 0.789 -3.972 0.153) 4.052 7.963 ( 0.113 -6.320 0.012) 6.321 8.283 ( 1.384 -3.263 -0.044) 3.545 8.610 ( 2.152 -4.854 -1.430) 5.499 8.863 ( 3.557 5.240 0.232) 6.337 8.966 ( 1.920 2.779 -1.014) 3.526 9.092 ( 3.333 6.320 -0.424) 7.157 9.169 ( 3.451 4.347 -0.860) 5.616 9.411 ( -0.401 -7.115 0.963) 7.191 9.509 ( 0.102 -5.569 -0.752) 5.620 9.596 ( 0.170 8.233 -0.218) 8.237 9.699 ( 1.172 5.163 0.308) 5.303 9.929 ( -1.906 -2.917 -2.643) 4.373 10.006 ( 1.720 -7.975 2.005) 8.401 10.684 ( -0.974 -6.301 0.901) 6.439 10.690 ( -2.385 -6.676 -2.175) 7.415 10.981 ( -0.598 -1.788 1.123) 2.195 11.075 ( -0.490 0.639 0.524) 0.960 11.141 ( -2.499 5.857 -0.785) 6.416 11.168 ( -0.748 4.793 0.461) 4.873 11.491 ( -3.571 -4.779 -2.716) 6.556 11.603 ( -3.360 -5.554 2.806) 7.071 11.715 ( -1.513 10.970 0.067) 11.075 11.762 ( -0.844 12.513 -0.549) 12.553 11.975 ( 5.073 -5.679 -1.199) 7.709 12.032 ( 2.131 -3.300 1.416) 4.176 12.213 ( 0.681 0.923 0.099) 1.151 12.269 ( -0.342 3.489 -0.281) 3.517 12.907 ( -1.169 20.537 0.584) 20.579 12.955 ( -2.182 20.270 0.750) 20.401 13.326 ( -0.149 7.584 0.549) 7.606 13.378 ( -0.270 9.705 -0.353) 9.715 13.453 ( -1.157 12.981 -0.778) 13.055 13.540 ( -1.755 21.172 -1.649) 21.309 14.010 ( 1.185 -3.503 -0.449) 3.725 14.083 ( 2.526 -0.461 -0.769) 2.681 14.150 ( -0.211 -4.283 -1.653) 4.596 14.262 ( -0.284 -1.899 1.928) 2.721 14.487 ( 2.837 -9.350 -0.443) 9.781 14.524 ( 1.919 -13.715 -0.455) 13.856 14.985 ( 4.233 -7.373 -1.357) 8.609 15.001 ( 4.532 -11.059 -1.166) 12.009 15.057 ( 4.219 -5.515 -1.430) 7.089 15.429 ( 1.593 -5.071 -2.248) 5.772 15.565 ( 0.924 -7.287 1.364) 7.471 15.599 ( 5.213 11.715 1.686) 12.933 15.649 ( 7.312 11.298 -0.389) 13.463 15.937 ( 0.238 -16.076 -1.262) 16.127 16.299 ( 0.614 -3.161 0.287) 3.233 16.310 ( 0.072 -2.625 -0.266) 2.640 16.640 ( 2.900 -12.923 1.528) 13.332 16.679 ( 2.570 -10.714 -1.054) 11.068 17.076 ( -1.163 1.475 0.373) 1.915 17.131 ( -1.662 1.234 0.269) 2.087 17.297 ( -2.730 1.854 0.186) 3.305 17.358 ( -2.436 -0.546 -0.188) 2.504 20.292 ( 2.465 0.243 1.398) 2.844 20.392 ( 1.808 3.239 -1.126) 3.876 20.455 ( 2.275 -1.001 1.787) 3.061 20.645 ( 3.544 -0.157 -0.003) 3.548 21.367 ( -1.810 0.434 -1.478) 2.377 21.470 ( -0.544 -3.055 -0.268) 3.115 21.940 ( 1.402 -3.620 -0.558) 3.921 22.027 ( 2.781 -3.383 -0.076) 4.380 22.907 ( -6.661 8.437 -2.478) 11.031 23.084 ( -5.483 2.737 0.920) 6.196 23.142 ( -6.518 1.740 0.312) 6.753 23.161 ( -3.958 1.078 0.659) 4.155 26.982 ( -0.477 12.300 -0.056) 12.309 27.062 ( -2.976 14.951 -0.803) 15.265 28.168 ( -0.666 -22.561 1.056) 22.595 28.419 ( -3.933 -25.507 -1.847) 25.875 29.206 ( 2.438 25.642 -1.265) 25.788 29.859 ( 1.275 16.547 -0.479) 16.603 30.360 ( 3.987 -1.670 1.088) 4.457 30.793 ( -4.091 13.235 -6.425) 15.270 31.295 ( -2.886 5.431 -1.756) 6.396 31.373 ( 3.751 2.475 1.973) 4.908 31.620 ( -3.982 3.955 6.783) 8.804 31.808 ( -0.825 -1.459 -0.222) 1.690 31.986 ( -1.937 -7.853 7.731) 11.189 32.174 ( -2.864 -8.050 1.178) 8.625 32.205 ( -3.706 -9.818 0.001) 10.494 32.410 ( -12.450 -7.872 -11.337) 18.588 32.741 ( -3.000 11.638 -0.388) 12.025 32.838 ( -4.846 23.455 -0.672) 23.960 33.547 ( -1.830 -11.061 0.349) 11.216 33.853 ( -2.056 8.681 -3.466) 9.571 33.946 ( -1.787 8.358 -0.550) 8.565 34.081 ( -12.115 -5.452 -2.639) 13.545 34.411 ( -2.908 -3.844 2.933) 5.643 34.740 ( -2.846 -7.212 -8.029) 11.161 35.657 ( 2.203 0.927 -4.894) 5.446 35.737 ( 3.504 -0.891 0.507) 3.651 35.770 ( 1.513 0.348 0.376) 1.598 35.801 ( 1.691 -0.022 1.554) 2.297 35.891 ( 1.902 2.660 -0.446) 3.300 36.075 ( -0.559 -1.619 -1.665) 2.389 36.212 ( 0.331 0.753 1.766) 1.948 36.295 ( -1.843 -1.380 -0.919) 2.479 37.252 ( 21.475 3.604 20.120) 29.648 37.662 ( 12.687 -1.884 6.748) 14.493 38.662 ( 10.122 -8.502 -2.091) 13.383 39.109 ( 0.770 -11.292 -6.027) 12.823 ======================= Grid point 45 (23/54) ======================= q-point: ( 0.43 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.336 ( 5.290 21.168 6.489) 22.764 1.479 ( 1.772 13.211 -5.290) 14.341 1.793 ( 1.142 22.466 0.436) 22.500 2.039 ( 0.636 11.487 9.847) 15.143 2.077 ( -3.470 9.383 3.758) 10.687 2.172 ( -0.629 -0.021 4.770) 4.812 2.279 ( -0.019 5.441 11.087) 12.350 2.479 ( 0.442 -9.606 12.574) 15.830 2.769 ( 1.008 -1.563 -1.714) 2.529 2.816 ( 2.800 -2.478 0.155) 3.742 2.850 ( 5.369 -3.564 1.967) 6.738 2.895 ( 2.444 -4.392 1.775) 5.330 2.960 ( 5.079 -1.051 0.901) 5.264 3.051 ( 1.217 2.282 -1.832) 3.169 3.091 ( 1.197 0.548 -0.834) 1.558 3.173 ( -0.792 -5.596 -1.122) 5.763 3.279 ( -0.758 0.447 -1.093) 1.403 3.317 ( 4.572 4.238 -4.543) 7.714 3.366 ( 0.427 3.305 -1.030) 3.488 3.541 ( -2.286 -6.515 -3.967) 7.963 3.580 ( 0.467 -4.025 -1.257) 4.242 3.647 ( 1.015 4.707 1.819) 5.147 3.789 ( 4.231 0.444 0.899) 4.349 3.826 ( 2.992 3.021 -1.624) 4.552 3.857 ( 3.947 2.140 -1.760) 4.822 3.918 ( 0.116 0.866 6.965) 7.020 3.988 ( 1.829 1.874 -3.012) 3.991 4.329 ( 7.617 1.357 2.688) 8.191 4.392 ( 1.771 -2.776 -0.826) 3.395 4.417 ( 0.417 -3.607 -5.096) 6.257 4.470 ( 0.888 0.326 0.897) 1.304 4.502 ( 0.296 8.604 -5.525) 10.229 4.727 ( 0.002 2.316 -3.331) 4.057 4.761 ( 0.929 -0.940 -5.170) 5.336 4.779 ( 0.377 -4.766 -0.841) 4.855 4.901 ( -1.324 -0.109 -0.221) 1.346 5.079 ( 0.204 -5.530 0.473) 5.554 5.196 ( -4.937 4.138 3.868) 7.514 5.365 ( -0.052 1.397 -2.463) 2.832 5.439 ( 0.153 5.276 -2.359) 5.781 5.605 ( 2.648 -0.320 1.905) 3.278 5.684 ( 1.436 2.847 -0.064) 3.189 5.820 ( -0.984 -4.487 0.559) 4.627 5.963 ( -1.146 -2.888 -0.505) 3.148 6.645 ( -1.294 -1.465 1.542) 2.490 6.808 ( -0.003 -4.936 0.164) 4.939 7.105 ( 0.918 -5.134 0.036) 5.215 7.295 ( -2.337 4.668 0.658) 5.262 7.303 ( -1.144 -7.059 1.632) 7.335 7.531 ( -0.862 3.714 -0.970) 3.934 7.782 ( 0.520 -3.173 -0.626) 3.276 7.871 ( -1.994 -1.523 -1.945) 3.175 7.888 ( 1.263 -4.239 0.766) 4.489 7.989 ( 0.982 -6.385 1.398) 6.609 8.320 ( 1.866 -1.234 1.985) 2.991 8.636 ( 0.372 -3.596 -1.996) 4.129 8.910 ( 0.364 2.977 -1.079) 3.187 8.991 ( 1.278 4.616 -0.222) 4.795 9.148 ( 1.647 6.660 0.233) 6.865 9.225 ( 1.526 5.090 -1.109) 5.428 9.401 ( -0.523 -7.022 0.443) 7.056 9.504 ( -0.403 -4.392 -0.999) 4.522 9.605 ( 0.603 7.789 0.135) 7.813 9.708 ( -0.085 6.857 0.240) 6.861 9.902 ( -0.865 -5.116 -3.656) 6.348 10.045 ( 1.410 -8.618 2.141) 8.992 10.651 ( -1.104 -5.694 -1.701) 6.045 10.686 ( 0.684 -2.327 1.081) 2.655 10.974 ( -0.040 -4.279 1.418) 4.508 11.060 ( -0.602 1.102 0.418) 1.324 11.101 ( -1.200 3.812 -0.411) 4.017 11.164 ( 0.077 2.112 -0.139) 2.118 11.435 ( -1.415 -4.480 -2.671) 5.404 11.556 ( -1.233 -5.860 2.890) 6.650 11.698 ( -0.146 10.908 0.692) 10.931 11.751 ( -0.225 12.412 -0.372) 12.420 12.045 ( 1.145 -5.586 -0.407) 5.716 12.064 ( 1.221 -5.375 0.116) 5.513 12.227 ( 0.493 1.510 -0.171) 1.598 12.259 ( -0.462 3.529 -0.510) 3.595 12.887 ( -0.766 19.393 0.257) 19.409 12.924 ( -0.672 19.399 0.481) 19.417 13.324 ( -0.217 7.809 0.332) 7.819 13.375 ( 0.028 9.533 -0.228) 9.536 13.434 ( -0.370 12.878 -0.918) 12.916 13.512 ( -0.989 19.475 -1.127) 19.533 14.029 ( 0.732 -3.789 -0.241) 3.866 14.112 ( 1.014 -0.134 -0.532) 1.153 14.157 ( 0.568 -2.951 1.008) 3.169 14.248 ( -1.055 -5.320 1.177) 5.550 14.535 ( 1.502 -9.187 -0.160) 9.310 14.562 ( 1.274 -11.777 0.366) 11.851 15.003 ( 0.551 -6.905 -1.718) 7.137 15.123 ( 1.804 -3.494 -1.699) 4.283 15.149 ( 5.427 -10.514 1.106) 11.883 15.437 ( -0.107 -5.985 -1.737) 6.233 15.577 ( 0.400 -8.320 1.523) 8.468 15.697 ( 3.006 11.748 0.821) 12.154 15.783 ( 3.896 13.057 -0.572) 13.638 15.902 ( -2.648 -15.852 -1.830) 16.176 16.306 ( 0.051 -3.523 0.023) 3.524 16.316 ( 0.362 -2.730 0.500) 2.799 16.688 ( 1.469 -11.582 0.870) 11.707 16.720 ( 1.110 -10.037 -0.061) 10.098 17.050 ( -1.164 1.100 0.420) 1.656 17.101 ( -0.918 0.527 -0.022) 1.059 17.249 ( -1.554 1.840 -0.483) 2.456 17.318 ( -1.146 -0.172 0.451) 1.243 20.344 ( 2.032 -0.098 1.996) 2.850 20.424 ( 1.024 2.193 -0.700) 2.519 20.495 ( 1.205 -0.435 2.007) 2.381 20.690 ( 0.424 -0.309 -1.236) 1.343 21.322 ( -1.777 -0.716 -0.488) 1.977 21.470 ( 0.656 -4.660 -0.185) 4.710 21.969 ( 1.232 -3.323 0.102) 3.545 22.070 ( 0.870 -2.769 -1.112) 3.108 22.798 ( -2.837 8.546 -2.569) 9.364 23.004 ( -2.238 2.622 0.760) 3.530 23.008 ( -4.061 2.726 -0.412) 4.908 23.130 ( -0.487 0.254 0.742) 0.923 26.978 ( 0.041 11.302 -0.135) 11.303 27.023 ( -0.928 12.886 0.007) 12.919 28.162 ( 0.090 -23.369 1.707) 23.431 28.356 ( -1.850 -25.129 -1.893) 25.268 29.270 ( 3.592 26.670 2.119) 26.994 29.786 ( -5.942 25.540 -3.638) 26.473 30.429 ( 2.456 -3.492 2.080) 4.749 30.759 ( -0.673 5.655 -3.648) 6.763 31.254 ( 0.036 4.370 0.911) 4.464 31.422 ( -0.795 -0.158 1.781) 1.957 31.544 ( -3.577 3.314 6.023) 7.749 31.794 ( -0.446 -0.453 -0.567) 0.851 31.931 ( -3.450 -6.399 0.108) 7.271 32.105 ( -2.355 -8.632 -2.435) 9.273 32.155 ( 0.588 -9.521 1.667) 9.684 32.274 ( -1.131 -10.017 -4.767) 11.151 32.706 ( -0.584 11.960 0.387) 11.980 32.781 ( -1.375 19.786 -0.882) 19.854 33.529 ( 0.251 -10.856 1.266) 10.932 33.805 ( -2.141 0.380 -4.010) 4.562 33.913 ( -2.609 4.527 -1.179) 5.356 33.929 ( -1.527 5.161 0.157) 5.385 34.366 ( -1.466 -3.407 2.390) 4.412 34.688 ( -1.266 -7.132 -6.339) 9.625 35.676 ( 0.191 1.105 -3.494) 3.670 35.779 ( 0.807 -1.085 2.174) 2.560 35.798 ( 0.865 0.721 0.014) 1.126 35.836 ( 1.359 -0.120 1.812) 2.268 35.939 ( 2.524 1.059 -1.861) 3.310 36.053 ( -1.376 -1.546 -0.715) 2.190 36.225 ( 0.590 0.927 0.974) 1.469 36.253 ( -1.541 0.217 -0.668) 1.693 37.565 ( 5.861 3.426 15.257) 16.699 37.897 ( 9.461 -2.493 10.207) 14.139 38.837 ( 5.827 -4.394 -6.163) 9.552 39.082 ( -2.870 -7.678 -8.691) 11.947 ======================= Grid point 46 (24/54) ======================= q-point: (-0.43 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.371 ( -0.782 37.075 -6.161) 37.592 1.562 ( 4.156 6.384 7.068) 10.392 1.791 ( -1.779 12.851 1.573) 13.068 1.984 ( -4.786 1.705 7.013) 8.660 2.039 ( -1.794 22.868 3.684) 23.232 2.135 ( -3.571 2.297 5.440) 6.901 2.281 ( -0.253 7.210 12.009) 14.009 2.484 ( -0.212 -7.853 12.212) 14.521 2.710 ( -3.662 -8.856 -1.920) 9.773 2.755 ( -10.396 2.135 -3.231) 11.094 2.870 ( -1.610 -1.491 1.612) 2.722 2.928 ( 3.027 -3.834 5.050) 7.026 2.990 ( -5.324 3.398 -1.660) 6.530 3.079 ( -0.569 1.371 -2.666) 3.051 3.114 ( -2.561 -4.887 1.766) 5.793 3.155 ( 1.865 0.082 -0.725) 2.003 3.259 ( -0.457 -0.184 0.684) 0.843 3.361 ( -1.883 4.067 -5.288) 6.932 3.393 ( 5.085 -6.656 1.211) 8.463 3.460 ( -3.779 -2.896 -2.581) 5.416 3.557 ( -1.315 -4.334 -2.926) 5.392 3.650 ( -2.596 5.688 -1.800) 6.507 3.790 ( -6.908 -3.463 -0.947) 7.786 3.875 ( 3.934 -2.644 1.660) 5.022 3.911 ( -1.074 -0.826 -1.320) 1.892 3.956 ( 3.745 7.762 3.612) 9.345 3.994 ( 0.395 3.994 3.284) 5.186 4.250 ( -12.482 -0.733 -0.840) 12.532 4.398 ( -1.478 0.690 -3.116) 3.517 4.412 ( -1.890 -8.262 -1.681) 8.640 4.495 ( 2.113 0.971 0.322) 2.347 4.540 ( 1.664 8.723 -7.303) 11.497 4.711 ( -0.757 1.798 -1.259) 2.322 4.772 ( 1.016 -3.213 -2.403) 4.139 4.834 ( 2.235 -4.533 -1.274) 5.212 4.868 ( -1.522 3.372 -2.549) 4.493 5.097 ( 1.735 -5.268 1.930) 5.872 5.128 ( -1.466 1.325 2.138) 2.911 5.362 ( -0.153 4.801 -1.861) 5.151 5.422 ( -1.745 4.757 -3.071) 5.925 5.660 ( 2.181 -0.013 2.960) 3.677 5.707 ( 1.158 3.207 1.703) 3.812 5.776 ( -3.247 -4.111 -1.467) 5.440 5.941 ( -0.624 -4.054 -1.021) 4.227 6.622 ( -0.733 -0.531 0.965) 1.323 6.825 ( 1.530 -4.840 0.581) 5.110 7.161 ( 4.088 -5.552 1.039) 6.972 7.275 ( -0.479 -5.472 1.010) 5.585 7.300 ( 1.526 3.307 1.226) 3.843 7.512 ( -0.668 3.962 -1.481) 4.283 7.776 ( -0.854 -3.861 -0.813) 4.037 7.838 ( -0.698 -1.612 -1.338) 2.209 7.911 ( 0.549 -3.977 -0.246) 4.022 7.988 ( -1.110 -5.374 1.543) 5.700 8.346 ( 0.205 -1.486 2.843) 3.214 8.623 ( -1.426 -3.012 -2.624) 4.242 8.888 ( -1.815 3.851 -1.406) 4.484 9.002 ( -1.016 3.424 -0.244) 3.580 9.153 ( -1.186 7.049 0.475) 7.163 9.221 ( -1.772 4.600 -1.296) 5.097 9.392 ( -0.305 -7.118 0.193) 7.127 9.499 ( 0.084 -4.356 -0.998) 4.470 9.615 ( 0.290 7.533 0.330) 7.546 9.706 ( -0.109 6.625 0.178) 6.629 9.878 ( -1.182 -5.877 -3.475) 6.929 10.061 ( 0.053 -7.167 1.845) 7.401 10.638 ( -0.063 -6.719 -1.102) 6.809 10.706 ( 1.207 -0.192 0.622) 1.371 10.979 ( 0.270 -5.660 1.644) 5.900 11.064 ( 1.036 2.203 0.160) 2.440 11.093 ( 0.341 2.541 -0.288) 2.580 11.164 ( 0.071 2.352 -0.224) 2.364 11.433 ( 1.363 -4.267 -2.629) 5.194 11.556 ( 1.139 -6.126 2.816) 6.838 11.709 ( 0.986 11.363 0.961) 11.446 11.752 ( 0.488 12.395 -0.360) 12.410 12.034 ( -1.952 -4.918 -0.524) 5.317 12.066 ( -1.349 -6.058 -0.018) 6.206 12.229 ( -0.139 1.678 0.024) 1.684 12.254 ( 0.026 3.185 -0.730) 3.267 12.878 ( -0.034 19.257 0.084) 19.258 12.928 ( 0.945 19.427 0.547) 19.457 13.320 ( 0.008 8.204 0.268) 8.209 13.379 ( 0.352 9.320 -0.359) 9.333 13.435 ( 0.216 13.179 -0.547) 13.192 13.502 ( 0.421 17.949 -1.424) 18.010 14.038 ( -0.091 -4.549 -0.098) 4.551 14.125 ( -0.056 -0.370 -0.482) 0.611 14.191 ( 3.027 -1.086 2.182) 3.886 14.222 ( -1.252 -4.860 0.391) 5.034 14.545 ( -0.446 -10.206 0.227) 10.218 14.564 ( -1.180 -10.872 0.363) 10.942 15.003 ( -0.655 -7.419 -1.787) 7.659 15.123 ( -1.698 -4.238 -2.316) 5.120 15.196 ( -1.069 -9.903 3.689) 10.621 15.410 ( -3.126 -5.711 -3.527) 7.404 15.594 ( 1.275 -7.307 2.040) 7.693 15.699 ( -2.814 10.444 1.027) 10.865 15.754 ( -5.639 3.792 -1.931) 7.065 15.860 ( -2.415 -4.440 -2.108) 5.476 16.306 ( 0.005 -3.669 0.187) 3.674 16.317 ( -0.340 -2.858 0.346) 2.899 16.690 ( -1.605 -11.562 0.748) 11.697 16.724 ( -0.442 -9.910 0.148) 9.921 17.042 ( 0.631 1.620 0.294) 1.763 17.101 ( 0.787 0.396 -0.040) 0.882 17.242 ( 0.896 1.581 -0.590) 1.911 17.318 ( 1.190 0.036 0.415) 1.261 20.365 ( -0.264 -0.177 1.746) 1.774 20.426 ( -0.949 0.854 0.782) 1.497 20.499 ( -0.939 -0.112 2.027) 2.236 20.656 ( -3.204 0.241 -2.642) 4.160 21.312 ( 0.954 -0.975 -0.547) 1.470 21.501 ( 2.162 -5.152 0.313) 5.595 21.982 ( -0.161 -3.297 0.680) 3.370 22.051 ( -2.382 -2.214 -1.816) 3.725 22.799 ( 2.598 9.563 -2.721) 10.276 22.985 ( 2.714 1.101 0.391) 2.955 23.019 ( 3.139 3.192 0.042) 4.477 23.135 ( 0.866 -0.124 0.706) 1.124 26.981 ( 0.204 10.934 -0.059) 10.936 27.024 ( 1.137 13.486 0.008) 13.534 28.176 ( 1.181 -23.935 2.374) 24.081 28.342 ( 0.530 -24.658 -2.544) 24.795 29.348 ( 3.333 27.421 6.219) 28.314 29.661 ( -5.618 26.613 -8.827) 28.596 30.451 ( -0.903 -2.057 3.376) 4.055 30.713 ( -3.678 1.646 -5.182) 6.564 31.319 ( 5.325 2.663 3.038) 6.684 31.374 ( -1.307 3.333 -0.279) 3.591 31.478 ( -2.688 2.607 4.008) 5.486 31.787 ( -0.204 0.084 -0.764) 0.796 31.873 ( -2.272 -4.070 -1.786) 4.992 32.109 ( 1.328 -10.806 0.101) 10.887 32.189 ( 1.244 -9.008 1.150) 9.166 32.344 ( 9.497 -9.717 -2.860) 13.885 32.713 ( 1.163 12.294 0.695) 12.368 32.770 ( 0.471 18.727 -1.264) 18.775 33.558 ( 2.272 -10.785 2.636) 11.332 33.787 ( 1.294 -3.096 -5.540) 6.477 33.891 ( 0.733 5.987 -0.844) 6.090 33.935 ( 1.448 7.086 -0.155) 7.234 34.355 ( 0.309 -3.160 1.818) 3.659 34.691 ( 1.928 -7.035 -5.845) 9.347 35.669 ( -0.514 1.067 -2.970) 3.198 35.782 ( -0.578 -1.487 1.553) 2.226 35.800 ( -0.558 0.963 0.112) 1.119 35.851 ( -0.074 0.239 2.101) 2.116 35.984 ( 1.691 -0.160 -2.813) 3.286 36.021 ( -1.622 -1.083 0.516) 2.018 36.210 ( -0.869 1.325 0.286) 1.610 36.269 ( 1.987 0.406 -0.090) 2.030 37.501 ( -11.929 4.857 12.666) 18.064 38.048 ( 3.588 -5.254 16.983) 18.136 38.803 ( -9.463 -4.294 -8.752) 13.586 39.044 ( 0.503 -6.917 -9.988) 12.159 ======================= Grid point 47 (25/54) ======================= q-point: (-0.29 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.272 ( -8.984 38.194 -6.406) 39.756 1.593 ( -3.063 17.140 19.876) 26.423 1.682 ( -8.389 13.728 -0.993) 16.119 1.868 ( -9.625 6.772 -0.809) 11.797 1.967 ( -5.120 26.151 2.027) 26.724 2.096 ( -1.202 -7.798 4.447) 9.057 2.281 ( -0.776 4.585 12.230) 13.085 2.333 ( -20.402 2.997 4.146) 21.033 2.496 ( -4.021 -4.322 9.337) 11.047 2.704 ( 1.862 -11.405 -0.209) 11.558 2.780 ( -17.466 -2.451 -1.675) 17.716 2.789 ( -15.134 3.092 -2.119) 15.591 2.854 ( -3.329 4.714 0.568) 5.799 2.975 ( -7.663 -7.476 4.654) 11.674 3.104 ( 0.770 -3.567 1.248) 3.856 3.175 ( -2.783 -2.789 -5.880) 7.078 3.267 ( -0.602 -0.442 3.681) 3.756 3.298 ( -1.382 1.545 -3.029) 3.671 3.381 ( -5.326 0.166 1.573) 5.556 3.415 ( -12.204 1.662 -0.605) 12.331 3.506 ( 1.545 -3.314 -5.585) 6.675 3.591 ( 4.445 -2.662 0.666) 5.224 3.643 ( -0.734 -2.033 -3.143) 3.815 3.856 ( -3.590 -0.644 -2.635) 4.499 3.922 ( -7.583 2.560 -1.697) 8.182 3.953 ( -3.791 -6.635 2.234) 7.962 4.019 ( 0.713 3.248 3.585) 4.890 4.095 ( 7.342 4.770 4.114) 9.673 4.270 ( -8.857 -7.127 -4.665) 12.288 4.411 ( 1.676 0.491 -3.503) 3.914 4.511 ( 0.075 1.745 -5.479) 5.751 4.563 ( 0.299 7.668 -1.696) 7.859 4.709 ( 0.011 0.928 1.339) 1.629 4.763 ( -1.410 -2.624 -4.491) 5.390 4.858 ( 2.081 1.968 -1.975) 3.479 4.874 ( 1.154 3.342 -0.452) 3.564 5.127 ( 0.846 -2.422 -1.083) 2.785 5.155 ( 2.934 -6.520 2.545) 7.589 5.354 ( 0.588 5.630 1.679) 5.904 5.396 ( 0.082 2.384 -0.739) 2.497 5.659 ( -3.938 -3.113 -2.720) 5.709 5.706 ( -0.411 1.910 -0.152) 1.959 5.766 ( 3.258 -0.096 4.288) 5.386 5.944 ( 0.983 -2.501 -0.235) 2.698 6.621 ( 0.580 1.567 0.993) 1.944 6.859 ( 1.359 -5.047 0.499) 5.251 7.225 ( -0.301 -4.098 -4.011) 5.742 7.287 ( 3.230 -9.467 4.734) 11.066 7.364 ( 3.948 5.834 1.391) 7.180 7.504 ( -0.060 3.093 -1.403) 3.397 7.732 ( -3.461 -4.453 1.469) 5.828 7.835 ( 0.119 -2.631 -0.079) 2.635 7.903 ( -2.395 -6.233 -2.079) 6.993 7.962 ( -0.572 -2.228 0.359) 2.328 8.331 ( -1.636 -3.657 1.674) 4.342 8.572 ( -3.497 -5.409 -3.174) 7.180 8.849 ( -1.709 4.709 0.151) 5.012 8.939 ( -4.516 4.492 -1.904) 6.648 9.105 ( -3.336 6.554 0.202) 7.357 9.166 ( -2.922 4.365 -1.084) 5.364 9.390 ( 0.107 -7.554 0.464) 7.569 9.502 ( 0.124 -5.257 -0.583) 5.291 9.616 ( -0.259 7.449 0.148) 7.455 9.699 ( -0.718 5.943 0.379) 5.998 9.866 ( 0.791 -4.549 -2.217) 5.122 10.055 ( -0.457 -5.216 1.326) 5.401 10.654 ( 1.866 -8.362 -0.548) 8.586 10.739 ( 1.847 -2.313 -0.366) 2.983 10.983 ( 0.010 -4.886 1.136) 5.017 11.088 ( 0.664 0.565 0.866) 1.228 11.117 ( 2.422 6.267 -0.893) 6.778 11.179 ( 1.393 4.653 0.211) 4.862 11.485 ( 3.640 -4.328 -2.601) 6.225 11.605 ( 3.287 -5.735 2.625) 7.112 11.735 ( 1.474 11.851 0.298) 11.946 11.775 ( 1.684 12.444 -0.118) 12.558 11.965 ( -4.482 -4.210 -1.639) 6.364 12.014 ( -3.378 -5.331 1.304) 6.444 12.229 ( 0.110 1.360 0.824) 1.594 12.256 ( 0.081 2.928 -0.958) 3.082 12.889 ( 1.179 20.272 0.148) 20.306 12.960 ( 2.007 20.102 0.920) 20.222 13.328 ( 0.718 8.856 0.656) 8.909 13.385 ( 0.138 8.999 -0.286) 9.005 13.437 ( 0.240 13.481 -1.061) 13.525 13.538 ( 3.315 18.162 -1.570) 18.529 14.024 ( -1.218 -4.590 -0.316) 4.760 14.111 ( -1.373 -0.501 -0.123) 1.467 14.170 ( -2.925 -5.527 -0.705) 6.293 14.304 ( 6.318 2.593 2.570) 7.297 14.513 ( -2.798 -11.095 0.647) 11.461 14.529 ( -1.573 -11.141 -0.889) 11.287 14.969 ( -2.785 -9.807 -2.235) 10.437 15.050 ( -5.052 -6.925 -2.275) 8.868 15.121 ( -5.619 -7.464 2.174) 9.592 15.288 ( -8.678 -4.904 -6.593) 11.951 15.585 ( -5.283 11.105 0.919) 12.332 15.620 ( -4.169 -8.625 1.627) 9.717 15.636 ( -1.689 0.406 1.059) 2.035 15.755 ( -7.073 4.102 -3.824) 9.027 16.298 ( -0.891 -3.035 0.230) 3.172 16.313 ( 0.244 -3.347 -0.156) 3.360 16.628 ( -3.824 -12.535 0.564) 13.118 16.715 ( -0.310 -10.765 0.379) 10.776 17.076 ( 2.215 1.838 0.372) 2.902 17.124 ( 1.224 1.055 0.128) 1.621 17.278 ( 2.377 1.195 -0.128) 2.664 17.360 ( 2.550 -0.095 -0.165) 2.557 20.339 ( -1.998 -0.092 1.346) 2.411 20.389 ( -2.447 0.576 1.409) 2.882 20.461 ( -2.585 -0.377 1.157) 2.857 20.582 ( -3.191 1.045 -2.126) 3.974 21.355 ( 2.853 -0.877 -0.983) 3.143 21.543 ( 1.320 -4.655 0.324) 4.849 21.958 ( -2.147 -4.591 -0.441) 5.088 21.998 ( -2.026 -1.608 -0.482) 2.631 22.885 ( 5.857 9.742 -2.605) 11.662 23.097 ( 6.621 2.028 0.959) 6.991 23.134 ( 7.798 1.865 0.160) 8.019 23.166 ( 2.201 -0.155 0.644) 2.299 26.986 ( 0.342 11.364 0.118) 11.370 27.080 ( 4.717 16.889 -0.647) 17.547 28.209 ( 1.739 -24.030 3.134) 24.296 28.362 ( 0.980 -23.522 -4.336) 23.939 29.391 ( -0.233 27.575 8.741) 28.928 29.521 ( -8.020 24.830 -13.858) 29.545 30.390 ( -4.811 0.510 3.428) 5.929 30.618 ( -4.240 0.661 -9.180) 10.134 31.356 ( 2.266 17.837 -0.649) 17.992 31.413 ( -0.604 0.065 -2.113) 2.199 31.553 ( 10.246 -1.583 10.523) 14.772 31.789 ( 0.594 -0.228 -0.144) 0.653 31.833 ( -0.964 -2.998 -1.078) 3.329 32.143 ( 2.144 -9.709 0.299) 9.947 32.205 ( 0.843 -9.799 -0.368) 9.842 32.595 ( 10.558 -3.883 -2.134) 11.449 32.748 ( 1.955 14.459 -0.066) 14.590 32.840 ( 8.952 12.593 -0.939) 15.479 33.611 ( 2.253 -10.355 3.308) 11.101 33.851 ( 4.224 5.525 -5.413) 8.813 33.942 ( 3.911 3.398 -1.712) 5.457 34.002 ( 6.650 1.987 -3.251) 7.665 34.381 ( 2.127 -3.041 1.158) 3.887 34.754 ( 4.144 -6.874 -6.081) 10.070 35.655 ( -0.685 0.776 -3.186) 3.350 35.756 ( -1.938 -1.597 0.121) 2.514 35.781 ( -1.262 0.848 0.037) 1.521 35.835 ( -1.679 0.927 1.341) 2.340 35.976 ( -1.767 -0.442 -1.764) 2.535 36.010 ( -0.032 -0.665 0.434) 0.795 36.205 ( 0.069 1.334 1.068) 1.710 36.313 ( 2.075 -0.350 -0.686) 2.213 37.125 ( -24.164 6.754 15.472) 29.477 38.061 ( -2.875 -8.552 22.484) 24.227 38.516 ( -16.362 -8.308 -9.653) 20.734 39.040 ( -0.580 -10.149 -8.815) 13.455 ======================= Grid point 48 (26/54) ======================= q-point: (-0.14 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.028 ( -12.731 33.289 0.263) 35.641 1.274 ( -42.218 9.697 6.758) 43.842 1.484 ( -9.236 22.693 2.301) 24.609 1.494 ( -6.750 24.326 18.879) 31.523 1.872 ( -20.777 0.125 -3.891) 21.139 1.907 ( -2.363 26.544 -0.663) 26.657 2.095 ( -15.541 -5.655 1.727) 16.628 2.245 ( -3.099 -4.661 9.570) 11.087 2.266 ( -8.522 -8.160 3.944) 12.441 2.423 ( -15.643 -3.884 2.223) 16.271 2.494 ( -14.562 2.678 4.809) 15.568 2.612 ( -5.122 4.370 8.826) 11.101 2.755 ( -3.901 4.931 4.131) 7.523 2.819 ( 0.064 -9.604 -6.450) 11.569 3.090 ( -1.448 4.096 -4.369) 6.161 3.135 ( 1.137 -5.082 0.811) 5.271 3.166 ( -4.618 7.150 -3.931) 9.376 3.290 ( 2.143 0.736 4.252) 4.818 3.309 ( 1.208 -0.176 -2.541) 2.819 3.419 ( -0.267 -1.670 3.434) 3.828 3.532 ( 1.159 -8.164 -6.121) 10.270 3.660 ( 0.357 -10.719 -2.962) 11.127 3.692 ( 1.102 3.689 -1.858) 4.275 3.758 ( -0.319 -5.035 -0.708) 5.094 3.811 ( -2.046 -0.847 0.222) 2.225 3.935 ( -1.223 -0.501 1.824) 2.253 4.015 ( -1.652 -1.176 -2.537) 3.248 4.125 ( -3.076 2.592 -3.916) 5.614 4.240 ( 5.693 1.228 2.923) 6.516 4.454 ( 1.576 0.564 -0.994) 1.946 4.500 ( -1.393 0.360 -0.484) 1.518 4.557 ( 0.116 7.406 -3.621) 8.244 4.661 ( -3.217 -3.612 -1.082) 4.956 4.777 ( 1.918 6.238 -0.588) 6.552 4.872 ( -1.113 4.331 -4.861) 6.605 4.927 ( 3.515 4.838 2.082) 6.332 5.155 ( 2.518 -1.890 -5.838) 6.633 5.198 ( 1.273 -5.664 2.131) 6.184 5.394 ( 0.339 4.791 3.046) 5.688 5.464 ( 6.533 -8.850 10.644) 15.307 5.559 ( -3.511 -2.014 -5.494) 6.824 5.737 ( 3.566 -1.728 -2.222) 4.543 5.833 ( 2.951 -0.868 3.022) 4.313 5.981 ( 2.613 -0.950 1.365) 3.097 6.648 ( 1.950 3.399 1.065) 4.061 6.864 ( -1.149 -4.941 -0.625) 5.112 7.189 ( -1.620 -2.989 -3.148) 4.633 7.344 ( -0.379 -10.237 2.486) 10.542 7.440 ( 2.715 5.805 1.295) 6.538 7.509 ( 0.862 2.164 -0.259) 2.343 7.660 ( -2.801 -4.261 2.128) 5.526 7.797 ( -5.448 -4.562 -0.597) 7.130 7.842 ( -0.866 -3.005 -0.481) 3.164 7.922 ( -4.363 -3.154 -2.500) 5.936 8.291 ( -1.915 -6.460 -0.299) 6.745 8.484 ( -3.594 -10.329 -1.407) 11.027 8.821 ( -1.194 5.460 0.715) 5.635 8.852 ( -2.820 8.226 -0.832) 8.735 9.023 ( -3.975 4.434 -0.465) 5.973 9.115 ( -1.897 4.962 -1.108) 5.427 9.395 ( 0.229 -7.993 1.166) 8.081 9.502 ( -0.118 -5.773 -0.380) 5.786 9.608 ( -0.320 6.653 -0.274) 6.666 9.672 ( -1.825 5.594 0.228) 5.888 9.926 ( 4.795 -1.692 -0.404) 5.101 10.052 ( 0.035 -3.503 0.795) 3.592 10.711 ( 3.126 -8.793 -0.245) 9.336 10.773 ( 1.166 -6.981 -1.209) 7.180 10.984 ( 0.120 -1.948 0.374) 1.987 11.104 ( 0.942 1.794 0.746) 2.159 11.177 ( 2.774 7.655 -0.077) 8.142 11.212 ( 1.648 5.951 -0.257) 6.181 11.567 ( 3.911 -4.987 -2.604) 6.852 11.681 ( 2.885 -6.596 1.798) 7.421 11.772 ( 1.895 11.282 -1.286) 11.512 11.810 ( 1.384 11.542 -0.630) 11.641 11.867 ( -3.891 -2.795 -1.834) 5.130 11.950 ( -2.245 -2.521 3.383) 4.779 12.232 ( -0.047 1.033 1.518) 1.836 12.256 ( 0.040 2.989 -0.854) 3.109 12.928 ( 2.221 20.957 -0.114) 21.075 13.009 ( 2.466 20.626 2.126) 20.881 13.347 ( 0.796 9.274 0.616) 9.328 13.383 ( -0.220 8.712 -0.191) 8.717 13.455 ( 1.549 13.376 -0.550) 13.476 13.665 ( 10.593 20.044 -3.947) 23.012 13.982 ( -2.798 -4.724 -0.659) 5.530 14.064 ( -3.000 0.326 -0.386) 3.042 14.106 ( -2.622 -2.248 0.018) 3.454 14.397 ( -2.009 -1.366 -5.728) 6.222 14.457 ( -1.549 -12.727 0.021) 12.821 14.494 ( -1.181 0.169 -7.700) 7.792 14.871 ( -5.459 -11.481 -2.424) 12.942 14.932 ( -6.280 -10.982 -2.459) 12.887 14.983 ( -5.680 -2.441 -3.869) 7.293 15.102 ( -5.651 -12.641 3.505) 14.284 15.471 ( -4.311 15.550 0.609) 16.149 15.537 ( -5.830 -4.026 0.768) 7.126 15.587 ( -0.871 9.335 -1.282) 9.463 15.665 ( -0.971 -3.362 -0.420) 3.525 16.282 ( -0.541 -2.388 0.162) 2.454 16.319 ( 0.203 -3.463 -0.590) 3.519 16.557 ( -2.564 -13.248 0.657) 13.510 16.704 ( -1.208 -11.945 0.149) 12.007 17.113 ( 0.998 1.444 -0.179) 1.764 17.147 ( 0.943 1.568 0.638) 1.938 17.331 ( 2.596 1.114 -0.220) 2.834 17.409 ( 1.820 -0.687 -0.692) 2.065 20.291 ( -2.559 -0.564 2.295) 3.483 20.349 ( -0.795 2.645 -0.526) 2.812 20.411 ( -1.915 -0.711 0.329) 2.069 20.535 ( -1.250 1.335 -0.680) 1.951 21.403 ( 0.959 -1.438 -1.396) 2.222 21.536 ( -1.963 -3.030 0.126) 3.613 21.914 ( -1.563 -4.777 -1.121) 5.149 21.965 ( -1.246 -3.006 0.355) 3.273 23.026 ( 6.680 6.887 -0.321) 9.600 23.207 ( 2.784 0.946 1.732) 3.413 23.246 ( 6.661 4.019 -0.643) 7.806 23.304 ( 6.907 2.690 0.499) 7.429 26.995 ( 0.439 12.275 0.479) 12.292 27.245 ( 11.463 21.599 -5.829) 25.137 28.247 ( 1.561 -22.645 3.323) 22.941 28.339 ( -3.233 -18.299 -5.472) 19.372 29.322 ( -8.484 22.888 -10.054) 26.399 29.338 ( -4.962 26.138 6.433) 27.371 30.282 ( -4.969 1.812 2.791) 5.980 30.577 ( 2.288 0.631 -15.228) 15.412 31.392 ( 0.451 5.925 -5.868) 8.351 31.459 ( 5.181 24.211 -5.841) 25.438 31.701 ( 2.059 1.595 6.064) 6.599 31.803 ( 0.984 -0.519 0.361) 1.170 31.903 ( 7.029 -6.680 10.122) 14.017 32.203 ( 3.051 -8.094 -1.734) 8.822 32.249 ( 4.476 -6.695 -1.224) 8.146 32.709 ( 2.749 8.776 -3.422) 9.812 32.799 ( 3.191 16.861 -2.152) 17.295 33.139 ( 17.099 4.949 -3.943) 18.233 33.642 ( 0.433 -9.381 2.633) 9.753 33.922 ( 2.610 13.440 -3.536) 14.140 34.006 ( 2.094 6.642 0.616) 6.991 34.273 ( 18.721 -6.280 -15.684) 25.217 34.443 ( 3.539 -3.460 0.131) 4.951 34.832 ( 2.943 -6.586 -7.485) 10.396 35.625 ( -2.709 0.301 -4.238) 5.039 35.689 ( -5.869 -1.351 -3.616) 7.024 35.751 ( -1.472 1.170 -0.261) 1.898 35.786 ( -2.434 0.932 0.992) 2.789 35.937 ( -1.321 0.477 -1.050) 1.754 36.016 ( 1.502 -1.200 3.215) 3.746 36.195 ( -2.122 -0.019 0.825) 2.276 36.345 ( 0.852 -1.586 -1.207) 2.167 36.596 ( -24.318 8.462 24.925) 35.836 38.009 ( -2.864 0.282 9.858) 10.269 38.125 ( -20.665 -35.707 17.902) 44.973 39.025 ( 0.072 -13.916 -6.653) 15.425 ======================= Grid point 49 (27/54) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.982 ( -3.788 20.645 6.940) 22.107 1.318 ( -5.170 -5.660 -0.137) 7.667 1.460 ( -1.022 24.492 9.175) 26.174 1.617 ( 0.430 -7.161 3.223) 7.864 1.640 ( 1.965 -4.846 4.364) 6.811 1.830 ( -1.664 -6.845 8.692) 11.188 1.865 ( -1.339 5.103 -4.801) 7.133 2.021 ( -1.172 -9.517 -2.810) 9.992 2.348 ( -1.815 9.301 10.300) 13.996 2.490 ( 0.895 -1.648 8.473) 8.678 2.548 ( 2.137 13.647 7.628) 15.779 2.727 ( -0.093 11.824 -0.495) 11.835 2.806 ( 0.621 2.839 11.938) 12.286 2.881 ( 0.379 6.420 1.723) 6.658 3.046 ( 0.377 -5.251 -0.804) 5.326 3.155 ( 3.411 -10.796 -0.810) 11.351 3.228 ( -1.032 3.929 -1.463) 4.318 3.292 ( -1.011 4.896 -3.549) 6.131 3.327 ( 1.006 1.842 -4.052) 4.564 3.369 ( -1.757 -0.550 -3.081) 3.589 3.442 ( 5.559 2.025 -2.160) 6.298 3.551 ( 0.055 -4.305 -4.040) 5.904 3.573 ( -1.945 0.156 2.614) 3.262 3.691 ( 2.375 -3.539 5.575) 7.017 3.792 ( 0.317 1.254 1.827) 2.239 3.884 ( -1.341 -6.030 0.349) 6.187 4.072 ( -2.516 9.263 -4.465) 10.587 4.200 ( -0.236 -0.037 -0.933) 0.963 4.322 ( 1.885 0.068 -0.191) 1.896 4.402 ( -0.927 -6.035 4.729) 7.723 4.567 ( 0.895 7.245 -1.834) 7.527 4.632 ( -1.486 5.859 -2.433) 6.516 4.758 ( 0.171 7.063 -7.721) 10.466 4.846 ( -1.772 0.876 -5.249) 5.608 4.913 ( -2.230 -9.533 -3.328) 10.341 4.983 ( 0.579 -0.821 -0.058) 1.006 5.055 ( 0.078 1.063 -1.864) 2.147 5.147 ( 2.956 -6.490 -0.312) 7.139 5.332 ( 0.328 -2.756 -1.151) 3.005 5.383 ( -0.410 -7.746 -4.537) 8.986 5.545 ( 0.164 5.127 4.422) 6.773 5.664 ( -1.487 -5.445 0.802) 5.701 5.874 ( 0.702 4.453 1.636) 4.795 5.980 ( 0.755 -3.399 2.652) 4.376 6.748 ( 0.925 0.921 -0.309) 1.341 6.760 ( -1.818 -0.350 0.426) 1.899 7.118 ( -1.686 0.047 -2.607) 3.105 7.182 ( 0.144 -5.081 -0.184) 5.086 7.545 ( 0.789 -0.104 0.306) 0.853 7.559 ( 0.857 -1.108 0.406) 1.459 7.652 ( -2.120 7.729 0.369) 8.023 7.731 ( 0.293 1.272 1.556) 2.031 7.822 ( 2.484 1.741 -2.519) 3.943 7.867 ( 0.551 1.981 -0.991) 2.283 8.037 ( -0.712 -9.590 -1.180) 9.689 8.155 ( 1.587 -15.884 1.990) 16.087 8.978 ( -0.215 9.995 0.318) 10.003 9.023 ( -0.362 6.966 -0.493) 6.993 9.061 ( 0.693 2.777 0.400) 2.890 9.160 ( 0.511 -1.081 -1.448) 1.878 9.232 ( -0.269 -3.511 0.264) 3.532 9.348 ( 0.085 -8.070 -1.359) 8.184 9.737 ( 0.131 4.550 -0.097) 4.553 9.759 ( -0.433 3.209 0.564) 3.287 10.022 ( -1.557 3.049 -0.645) 3.484 10.028 ( 0.650 3.653 -0.618) 3.762 10.473 ( -1.225 -12.779 -0.457) 12.846 10.478 ( 0.518 -12.651 -0.290) 12.665 11.125 ( 0.027 7.741 0.447) 7.754 11.194 ( -0.047 2.273 0.299) 2.293 11.358 ( 0.070 6.054 -0.789) 6.106 11.394 ( 0.036 7.577 0.537) 7.596 11.489 ( 0.901 -6.874 -2.047) 7.229 11.533 ( -0.899 -6.022 -0.526) 6.111 11.799 ( -0.031 -0.973 0.769) 1.241 11.819 ( 0.789 -2.866 1.682) 3.416 12.027 ( -0.627 8.715 0.101) 8.738 12.089 ( 0.186 9.495 0.839) 9.533 12.171 ( -0.908 -4.805 1.790) 5.207 12.242 ( 0.570 -4.717 -0.280) 4.759 13.440 ( 0.687 19.075 2.602) 19.264 13.477 ( 0.003 15.593 2.640) 15.815 13.607 ( -0.411 16.125 -0.306) 16.134 13.646 ( -0.123 14.324 -0.693) 14.341 13.824 ( -1.690 17.726 -0.682) 17.820 13.876 ( 0.396 1.568 -0.851) 1.827 13.909 ( 1.434 0.756 0.938) 1.873 14.009 ( 0.176 -7.171 0.032) 7.173 14.068 ( -3.797 -6.573 -1.556) 7.749 14.123 ( 3.398 -1.963 0.244) 3.932 14.183 ( -0.548 -10.690 1.963) 10.883 14.384 ( -2.702 -23.535 -1.679) 23.749 14.569 ( 0.818 -14.363 -0.081) 14.387 14.632 ( -4.540 -6.301 -4.228) 8.843 14.713 ( 1.452 -1.675 -4.476) 4.995 14.854 ( 6.487 -8.775 -1.669) 11.039 15.492 ( 0.782 1.526 -1.134) 2.056 15.553 ( -0.758 -3.914 0.144) 3.990 15.774 ( -0.015 16.899 0.948) 16.925 15.911 ( -0.429 12.923 -3.424) 13.376 16.199 ( 0.306 -12.231 0.011) 12.235 16.237 ( -0.025 -8.153 0.594) 8.175 16.261 ( 0.124 0.671 -0.845) 1.086 16.385 ( -1.431 -12.089 -2.940) 12.524 17.167 ( -0.118 2.883 -0.379) 2.910 17.198 ( 0.340 0.538 -0.173) 0.660 17.372 ( 0.428 -0.018 -0.688) 0.810 17.392 ( 0.092 -1.673 -0.840) 1.874 20.270 ( -0.504 1.755 1.274) 2.226 20.319 ( 0.022 -2.824 0.634) 2.894 20.469 ( 0.436 3.955 0.015) 3.979 20.525 ( 0.470 -1.366 0.471) 1.519 21.434 ( 0.247 3.927 -1.286) 4.140 21.495 ( -0.269 -1.420 -0.701) 1.606 21.823 ( 0.361 -1.641 -0.691) 1.817 21.858 ( -0.100 -4.263 0.757) 4.331 23.207 ( 0.163 4.360 0.168) 4.366 23.254 ( -0.115 -0.221 0.450) 0.514 23.431 ( -0.203 2.702 -0.457) 2.748 23.440 ( -0.062 1.691 0.217) 1.706 27.328 ( 0.175 16.918 1.935) 17.029 27.589 ( -0.757 -1.266 -2.459) 2.867 27.904 ( -2.869 -4.524 -3.836) 6.589 28.065 ( 1.654 -13.912 -1.615) 14.103 29.674 ( -3.438 16.947 -0.355) 17.296 29.726 ( 3.539 15.209 -0.645) 15.629 30.203 ( -0.313 -1.139 0.795) 1.424 30.413 ( 6.222 -18.091 -5.013) 19.777 31.549 ( 1.889 10.351 1.587) 10.641 31.732 ( -0.142 -1.014 1.176) 1.559 31.801 ( 0.039 1.066 1.049) 1.496 31.834 ( 0.304 3.170 8.673) 9.239 31.856 ( 0.775 -4.349 3.365) 5.553 32.019 ( 0.312 -10.266 0.309) 10.276 32.465 ( -0.784 10.011 -9.080) 13.538 32.684 ( -2.455 -9.498 -7.047) 12.079 33.116 ( -0.931 13.426 2.458) 13.681 33.392 ( -1.427 -12.617 2.786) 13.000 34.038 ( 11.918 23.320 -42.365) 49.806 34.171 ( 0.753 8.930 -1.577) 9.099 34.213 ( -2.089 6.846 -9.849) 12.175 34.401 ( -3.270 -0.728 -5.283) 6.256 34.455 ( 12.146 -10.726 -24.589) 29.448 34.616 ( -8.312 -11.251 -13.095) 19.161 35.520 ( -3.136 0.036 0.422) 3.165 35.526 ( -3.003 -0.501 0.492) 3.084 35.748 ( -0.549 0.758 1.326) 1.623 35.762 ( -0.421 -0.490 2.230) 2.321 36.003 ( 3.863 1.857 0.448) 4.310 36.027 ( -1.131 0.683 0.016) 1.321 36.128 ( -0.188 2.144 5.619) 6.017 36.231 ( -3.346 -6.049 1.234) 7.022 36.607 ( 0.778 13.084 37.756) 39.966 36.980 ( -5.998 -24.242 52.819) 58.426 38.209 ( 2.459 16.563 -8.044) 18.577 38.628 ( 1.272 -21.862 -8.094) 23.347 ======================= Grid point 50 (28/54) ======================= q-point: ( 0.14 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.374 ( 3.988 19.915 11.492) 23.336 1.466 ( 32.708 8.808 4.568) 34.180 1.677 ( 10.556 8.587 3.321) 14.007 1.796 ( 9.575 -8.038 1.085) 12.549 1.894 ( 17.691 -5.806 3.975) 19.038 1.924 ( 15.312 -13.216 12.255) 23.650 2.076 ( 19.522 -2.063 -3.484) 19.938 2.123 ( 12.825 -5.753 0.079) 14.057 2.355 ( 3.714 11.562 7.380) 14.211 2.517 ( 2.780 -4.117 10.156) 11.306 2.582 ( 1.067 8.331 2.049) 8.645 2.728 ( 0.893 23.994 -1.491) 24.057 2.805 ( -1.811 -4.527 7.515) 8.958 2.942 ( 5.931 8.704 0.019) 10.533 3.065 ( 2.387 -4.383 -0.347) 5.003 3.190 ( -0.031 -3.341 -1.969) 3.878 3.231 ( 1.639 -0.400 0.339) 1.721 3.297 ( 0.769 4.609 -4.533) 6.510 3.334 ( -1.398 -1.411 -4.596) 5.007 3.377 ( 3.441 2.109 -0.786) 4.112 3.530 ( 1.275 2.156 4.133) 4.833 3.563 ( 2.159 0.422 -2.467) 3.305 3.581 ( 5.584 -1.399 -1.655) 5.990 3.736 ( 0.993 -2.276 2.055) 3.223 3.768 ( -2.338 0.605 0.522) 2.471 3.854 ( -0.927 -5.820 2.148) 6.273 4.035 ( 0.095 9.185 -1.631) 9.329 4.198 ( 0.344 -2.514 -1.320) 2.861 4.311 ( -2.035 2.982 -2.441) 4.358 4.410 ( -0.323 -4.130 5.013) 6.503 4.555 ( -2.207 6.173 -1.169) 6.660 4.600 ( -0.711 5.679 -3.763) 6.850 4.749 ( -2.859 -2.713 -8.349) 9.233 4.768 ( -2.006 1.350 -4.175) 4.825 4.832 ( -4.858 -6.173 -5.337) 9.497 4.966 ( -1.998 -4.962 -0.709) 5.396 5.072 ( 1.185 6.545 0.815) 6.701 5.197 ( 2.276 -6.173 0.559) 6.603 5.365 ( 2.660 -2.541 0.130) 3.681 5.378 ( 0.227 -3.959 -3.317) 5.170 5.558 ( 0.661 2.222 2.609) 3.490 5.630 ( -1.464 -4.672 0.135) 4.898 5.873 ( -0.754 6.202 1.387) 6.399 5.983 ( -0.658 -2.835 2.641) 3.930 6.726 ( -1.369 2.252 0.994) 2.817 6.755 ( -0.555 -1.505 -0.344) 1.640 7.078 ( -1.797 -0.141 -1.692) 2.472 7.172 ( -1.157 -7.662 -0.033) 7.749 7.551 ( -1.389 1.596 -0.002) 2.116 7.565 ( -0.094 1.031 0.050) 1.036 7.638 ( 1.802 4.063 1.287) 4.628 7.757 ( 2.202 -3.384 1.185) 4.208 7.855 ( 0.263 2.653 -1.884) 3.264 7.917 ( 2.072 0.323 -2.268) 3.089 8.071 ( 4.370 -5.790 -0.731) 7.290 8.235 ( 5.286 -16.184 0.619) 17.037 8.988 ( 1.319 10.416 0.153) 10.501 9.068 ( 4.244 7.451 -0.057) 8.575 9.123 ( 4.599 2.623 0.203) 5.298 9.186 ( 1.999 2.082 -1.996) 3.509 9.236 ( 0.523 -6.166 0.961) 6.262 9.352 ( 0.284 -8.088 -1.139) 8.173 9.746 ( 0.481 3.828 -0.394) 3.878 9.764 ( 0.804 2.776 0.681) 2.969 9.964 ( -2.800 4.797 0.631) 5.590 10.013 ( -1.622 3.821 -1.343) 4.363 10.425 ( -2.680 -13.053 0.244) 13.327 10.456 ( -2.229 -13.803 -1.102) 14.025 11.116 ( -0.903 7.416 0.514) 7.489 11.183 ( -0.989 2.400 0.370) 2.622 11.334 ( -2.199 6.308 -0.411) 6.693 11.360 ( -3.056 7.596 0.367) 8.196 11.454 ( -3.338 -5.838 -2.143) 7.059 11.516 ( -1.617 -7.519 0.944) 7.748 11.817 ( 1.663 -0.509 -0.115) 1.743 11.843 ( 1.591 -2.641 0.859) 3.200 12.004 ( -1.288 9.287 0.051) 9.376 12.090 ( -0.498 9.359 0.791) 9.405 12.156 ( 0.050 -4.618 1.296) 4.797 12.251 ( 0.360 -4.967 0.042) 4.980 13.444 ( -0.737 20.800 2.992) 21.027 13.478 ( -0.518 18.891 2.050) 19.009 13.578 ( -1.782 15.682 -0.618) 15.795 13.631 ( -1.129 12.549 -0.622) 12.615 13.782 ( -2.468 13.797 0.541) 14.027 13.875 ( 0.899 2.605 -1.159) 2.989 13.931 ( 0.057 -2.141 -0.066) 2.142 14.002 ( -1.358 -7.491 -1.605) 7.781 14.024 ( 1.116 -2.996 0.407) 3.223 14.150 ( -1.180 -12.224 -0.152) 12.281 14.238 ( 5.691 -3.103 1.433) 6.639 14.320 ( -3.181 -11.475 -2.696) 12.209 14.598 ( 4.119 -11.304 0.350) 12.036 14.656 ( 3.916 -13.998 -0.987) 14.568 14.826 ( 8.296 3.458 -4.166) 9.906 15.084 ( 13.194 -15.001 -2.380) 20.119 15.483 ( -1.456 -1.199 -0.886) 2.084 15.514 ( -2.705 -4.576 -0.229) 5.321 15.824 ( 4.437 17.124 1.261) 17.734 15.943 ( 3.498 13.499 -2.712) 14.206 16.219 ( 1.240 -9.986 -0.147) 10.063 16.249 ( 1.376 -11.099 1.141) 11.242 16.254 ( -0.488 -0.728 -0.048) 0.878 16.368 ( 0.433 -12.550 -3.002) 12.911 17.153 ( -1.185 2.923 -0.227) 3.162 17.189 ( -1.249 0.126 -0.011) 1.256 17.361 ( -1.324 0.315 -0.252) 1.384 17.381 ( -1.244 -1.266 -0.939) 2.008 20.278 ( 1.170 2.076 1.090) 2.621 20.334 ( 1.266 -3.098 0.783) 3.438 20.486 ( 1.350 4.516 0.451) 4.735 20.555 ( 2.336 -1.977 0.643) 3.128 21.429 ( -0.940 2.685 -1.889) 3.415 21.468 ( -2.289 -1.099 -0.769) 2.653 21.848 ( 1.816 -1.432 -0.634) 2.398 21.880 ( 2.260 -4.078 0.462) 4.685 23.173 ( -3.168 4.803 -0.113) 5.755 23.218 ( -2.941 0.285 0.595) 3.014 23.326 ( -8.440 3.082 0.053) 8.986 23.352 ( -7.737 0.677 0.479) 7.781 27.320 ( -0.996 16.788 1.803) 16.914 27.520 ( -5.014 8.970 -3.019) 10.711 27.812 ( -4.179 -9.476 -0.427) 10.366 28.026 ( -4.603 -19.333 -2.317) 20.008 29.651 ( 1.320 19.678 -2.486) 19.879 29.885 ( 8.837 2.394 -0.073) 9.156 30.270 ( 6.386 6.102 0.824) 8.871 30.589 ( 9.317 -18.974 -1.002) 21.162 31.555 ( -1.694 11.685 3.904) 12.436 31.711 ( -2.095 5.773 -2.477) 6.622 31.792 ( -2.039 -2.767 3.639) 5.005 31.805 ( -2.484 4.747 6.737) 8.607 31.852 ( -1.038 -4.551 3.884) 6.073 32.014 ( -0.719 -10.909 0.455) 10.942 32.308 ( -12.626 7.850 -8.819) 17.286 32.520 ( -12.736 -10.307 -10.011) 19.200 33.070 ( -3.236 13.151 1.457) 13.621 33.342 ( -3.232 -12.585 1.488) 13.079 33.723 ( -24.713 26.625 -18.468) 40.752 34.095 ( -13.368 -3.699 -14.363) 19.967 34.164 ( -2.451 8.350 -0.871) 8.746 34.281 ( -10.817 -0.312 -5.050) 11.942 34.363 ( -0.964 -2.643 -1.029) 2.996 34.572 ( 0.089 -12.783 -10.959) 16.838 35.594 ( 6.289 0.959 -3.873) 7.448 35.614 ( 6.693 -0.898 -3.071) 7.419 35.753 ( 0.802 0.629 1.360) 1.700 35.768 ( 0.737 -0.642 2.052) 2.273 35.962 ( -1.426 4.597 1.332) 4.994 36.039 ( -0.484 -2.363 -0.705) 2.513 36.202 ( 2.674 0.329 1.100) 2.911 36.237 ( 2.295 -3.298 0.360) 4.034 36.893 ( 21.703 10.190 29.417) 37.950 37.167 ( 17.368 -15.468 33.187) 40.525 38.358 ( 11.203 10.491 -6.675) 16.737 38.700 ( 5.718 -19.558 -7.607) 21.750 ======================= Grid point 51 (29/54) ======================= q-point: ( 0.29 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.483 ( 5.808 18.668 12.539) 23.226 1.693 ( 0.366 8.264 5.722) 10.059 1.879 ( 4.191 -14.480 13.831) 20.458 1.924 ( 1.318 -9.025 9.135) 12.909 2.221 ( 6.987 2.556 10.440) 12.820 2.230 ( 6.437 0.556 6.168) 8.933 2.435 ( 20.028 2.573 6.692) 21.273 2.442 ( 6.987 5.456 1.900) 9.067 2.558 ( 14.379 1.078 -3.713) 14.890 2.618 ( 7.632 -3.307 5.797) 10.138 2.711 ( 7.308 -0.204 -1.336) 7.432 2.747 ( 2.395 8.908 -1.233) 9.307 2.788 ( 2.064 7.106 1.076) 7.477 3.067 ( 2.101 -1.163 -8.239) 8.581 3.139 ( 1.484 2.080 -1.762) 3.104 3.186 ( -0.477 2.735 -0.257) 2.788 3.259 ( 3.932 -1.440 -3.910) 5.729 3.328 ( 3.798 -0.431 -3.339) 5.076 3.354 ( 4.272 3.877 -3.534) 6.765 3.430 ( 0.771 -0.387 -0.407) 0.954 3.588 ( -0.825 6.770 4.348) 8.089 3.658 ( 6.204 -0.597 -4.043) 7.429 3.683 ( 3.276 -2.116 -1.940) 4.356 3.742 ( 7.772 4.878 -0.093) 9.176 3.791 ( 2.391 -0.972 -1.780) 3.135 3.899 ( 5.714 -4.542 7.419) 10.408 4.062 ( 1.641 7.979 -0.100) 8.147 4.228 ( 3.192 -0.204 -0.090) 3.200 4.272 ( -0.636 0.037 -2.193) 2.283 4.382 ( -1.373 -0.438 1.800) 2.306 4.493 ( -3.141 -0.375 0.084) 3.164 4.598 ( 0.493 2.851 -4.460) 5.316 4.640 ( -5.942 -10.413 -6.987) 13.876 4.730 ( -1.780 -4.779 -8.375) 9.805 4.777 ( -0.271 5.781 -3.410) 6.717 4.923 ( -1.700 -6.147 0.267) 6.383 5.089 ( 0.277 8.169 1.532) 8.315 5.243 ( 1.269 -5.205 1.869) 5.674 5.386 ( 1.162 0.854 -1.377) 1.995 5.435 ( 3.499 -2.063 0.085) 4.063 5.568 ( 0.572 1.953 0.677) 2.145 5.628 ( 1.359 -4.121 0.604) 4.381 5.851 ( -1.437 5.861 1.295) 6.172 5.953 ( -2.362 -2.980 1.560) 4.110 6.692 ( -2.015 2.069 1.091) 3.087 6.731 ( -1.409 -2.439 0.624) 2.885 7.041 ( -1.423 -0.241 -0.465) 1.516 7.143 ( -1.488 -8.784 0.978) 8.963 7.494 ( -3.110 6.019 0.098) 6.776 7.565 ( -0.074 -0.783 -0.083) 0.791 7.698 ( 2.752 1.267 0.698) 3.109 7.792 ( -0.063 -5.439 0.346) 5.450 7.872 ( 2.274 2.086 -0.878) 3.209 7.923 ( -0.201 -0.381 -2.241) 2.282 8.171 ( 4.306 -2.180 -0.496) 4.851 8.336 ( 3.860 -15.173 -0.984) 15.687 9.025 ( 1.731 9.542 -0.067) 9.698 9.151 ( 2.584 8.762 -0.460) 9.147 9.213 ( 2.118 -2.042 -1.209) 3.181 9.229 ( 2.887 3.435 -1.527) 4.740 9.274 ( 3.757 -1.875 1.650) 4.512 9.357 ( 0.316 -8.123 -0.668) 8.157 9.751 ( 0.173 2.247 -0.447) 2.297 9.781 ( 0.649 -0.339 0.577) 0.932 9.950 ( 1.559 8.078 2.550) 8.614 9.979 ( -1.551 7.742 -2.323) 8.231 10.394 ( 0.004 -15.240 1.291) 15.295 10.405 ( -2.147 -15.141 -1.765) 15.394 11.088 ( -1.711 7.031 0.705) 7.270 11.153 ( -1.811 2.062 0.410) 2.775 11.277 ( -3.078 5.183 0.088) 6.029 11.292 ( -2.802 7.871 -0.214) 8.358 11.381 ( -3.122 -5.238 -1.621) 6.309 11.462 ( -2.949 -7.700 1.466) 8.375 11.858 ( 2.182 1.378 -0.401) 2.612 11.897 ( 3.199 -2.418 0.016) 4.010 11.978 ( -1.171 8.187 0.034) 8.271 12.055 ( -2.525 4.496 0.595) 5.190 12.182 ( 1.629 -1.585 0.660) 2.367 12.257 ( 0.146 -4.415 -0.231) 4.423 13.412 ( -2.105 22.012 2.300) 22.232 13.449 ( -1.983 22.995 0.045) 23.081 13.556 ( -0.451 13.264 0.611) 13.286 13.604 ( -1.270 9.198 -0.513) 9.300 13.728 ( -2.344 10.798 -0.558) 11.064 13.873 ( -1.843 2.494 -1.128) 3.300 13.928 ( 0.463 -4.914 -1.098) 5.056 13.995 ( -0.034 -10.039 -0.633) 10.059 14.066 ( 2.202 -1.208 1.140) 2.758 14.147 ( 0.561 -8.762 1.136) 8.853 14.293 ( 1.476 -4.496 -1.320) 4.913 14.334 ( 3.265 -4.541 1.155) 5.711 14.696 ( 4.495 -11.193 -0.114) 12.063 14.776 ( 7.110 -11.920 1.097) 13.922 14.985 ( 6.038 5.851 -3.795) 9.225 15.314 ( 8.268 -13.611 -3.490) 16.303 15.448 ( -2.187 -7.081 -2.413) 7.794 15.459 ( -1.339 -4.634 1.760) 5.135 15.938 ( 5.850 16.793 1.478) 17.844 16.025 ( 3.812 15.095 -1.248) 15.619 16.231 ( 0.051 -4.737 -0.015) 4.737 16.250 ( 0.156 -0.516 -0.015) 0.539 16.310 ( 4.052 -16.670 1.411) 17.214 16.406 ( 2.957 -14.293 -1.568) 14.680 17.121 ( -1.857 2.343 0.200) 2.997 17.151 ( -2.196 -0.114 0.236) 2.211 17.323 ( -2.204 0.911 -0.164) 2.391 17.342 ( -2.108 -0.899 -0.740) 2.408 20.315 ( 2.165 1.940 1.327) 3.196 20.368 ( 1.823 -2.927 0.807) 3.541 20.526 ( 2.231 5.013 0.646) 5.524 20.613 ( 2.823 -2.993 0.399) 4.133 21.383 ( -3.145 1.015 -1.614) 3.677 21.413 ( -2.551 -2.066 -1.433) 3.581 21.893 ( 2.447 -0.066 -0.432) 2.486 21.941 ( 3.190 -4.119 -0.171) 5.212 23.078 ( -6.457 6.686 -1.094) 9.360 23.148 ( -4.572 2.608 1.334) 5.430 23.159 ( -6.782 -0.891 0.037) 6.841 23.178 ( -5.541 -0.026 0.883) 5.611 27.297 ( -1.162 16.737 1.140) 16.816 27.418 ( -4.061 15.893 -1.691) 16.490 27.748 ( -2.236 -15.748 1.098) 15.944 27.920 ( -4.589 -21.772 -1.857) 22.327 29.706 ( 3.655 21.621 -1.469) 21.977 30.037 ( 5.824 -6.510 -0.260) 8.739 30.403 ( 4.288 12.272 1.095) 13.045 30.730 ( 3.162 -14.531 0.129) 14.872 31.485 ( -4.810 11.511 4.190) 13.161 31.628 ( -4.945 14.312 -4.624) 15.833 31.689 ( -6.220 -2.346 9.225) 11.370 31.789 ( -0.204 -0.950 0.354) 1.034 31.842 ( -0.283 -1.046 1.178) 1.600 31.987 ( -2.653 -10.364 -0.797) 10.728 32.062 ( -7.508 -0.654 -2.338) 7.891 32.205 ( -13.882 -11.000 -9.619) 20.155 33.006 ( -2.582 13.379 1.228) 13.681 33.259 ( -5.084 -3.874 0.470) 6.409 33.376 ( -7.658 14.224 -3.324) 16.493 33.768 ( -12.248 -15.603 -6.250) 20.798 34.112 ( -2.338 7.308 0.380) 7.683 34.169 ( -3.477 8.038 -1.050) 8.820 34.330 ( -1.925 -0.339 -1.511) 2.471 34.530 ( -2.611 -12.377 -7.392) 14.651 35.683 ( 2.509 1.503 -3.087) 4.253 35.714 ( 3.021 -1.365 -0.903) 3.436 35.780 ( 1.682 0.636 1.210) 2.167 35.794 ( 1.644 -0.610 1.625) 2.391 35.959 ( 0.482 3.579 -0.672) 3.674 36.028 ( -0.529 -2.864 -1.056) 3.098 36.232 ( 0.720 1.180 0.960) 1.683 36.262 ( 0.097 -1.629 -0.223) 1.647 37.371 ( 20.061 7.786 19.670) 29.154 37.553 ( 15.950 -8.435 16.141) 24.209 38.606 ( 11.788 4.913 -7.372) 14.746 38.826 ( 5.953 -14.131 -8.064) 17.325 ======================= Grid point 52 (30/54) ======================= q-point: ( 0.43 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.583 ( 2.560 11.122 6.669) 13.218 1.706 ( 1.677 10.512 15.110) 18.483 1.877 ( -2.962 -11.633 11.456) 16.593 1.958 ( 1.452 -9.148 21.781) 23.669 2.276 ( 0.954 5.616 6.497) 8.641 2.302 ( 0.863 -2.578 9.770) 10.141 2.509 ( 2.305 13.245 -0.808) 13.468 2.643 ( -1.443 6.083 -0.867) 6.312 2.756 ( 1.754 5.125 -3.200) 6.291 2.767 ( 7.403 -2.337 4.196) 8.824 2.800 ( 6.475 1.245 5.683) 8.705 2.829 ( 3.243 -2.009 2.060) 4.336 2.918 ( 5.929 -0.281 -1.036) 6.025 3.025 ( -2.956 -4.349 -1.782) 5.552 3.123 ( -1.495 2.501 -3.632) 4.656 3.169 ( 0.198 0.655 -1.990) 2.105 3.311 ( -1.806 8.497 -10.208) 13.404 3.409 ( -0.167 1.509 -5.732) 5.929 3.418 ( 2.080 2.765 -2.687) 4.381 3.445 ( 2.032 -2.620 -1.741) 3.745 3.536 ( -2.058 6.713 -1.801) 7.248 3.694 ( -0.737 -8.307 -2.046) 8.587 3.788 ( 4.562 0.085 -2.496) 5.201 3.832 ( 1.287 -0.578 -2.151) 2.573 3.925 ( 4.329 8.247 0.671) 9.338 4.018 ( 3.592 0.130 4.858) 6.043 4.090 ( 1.849 9.395 -0.020) 9.576 4.292 ( 0.791 -4.377 1.282) 4.629 4.335 ( 3.456 -0.070 0.558) 3.501 4.374 ( 1.657 -0.497 -1.582) 2.344 4.449 ( -1.342 -6.691 0.149) 6.826 4.530 ( -2.632 -12.967 -4.930) 14.120 4.617 ( 1.720 3.964 -3.753) 5.724 4.718 ( 0.741 -0.621 -7.292) 7.356 4.780 ( 0.875 2.860 -4.976) 5.805 4.902 ( -0.484 -6.817 1.894) 7.092 5.084 ( -0.753 8.093 -0.473) 8.142 5.226 ( -2.603 -2.948 1.611) 4.250 5.432 ( 2.732 4.265 -0.818) 5.131 5.491 ( 1.462 0.051 -0.842) 1.688 5.597 ( 1.974 0.855 2.235) 3.102 5.664 ( 1.031 -4.374 0.762) 4.558 5.821 ( -1.088 4.097 1.255) 4.420 5.896 ( -2.532 -3.363 0.301) 4.221 6.653 ( -1.468 2.155 0.951) 2.775 6.711 ( -0.272 -3.528 1.832) 3.984 7.031 ( 0.535 -0.596 1.228) 1.466 7.118 ( -0.867 -8.258 1.154) 8.383 7.445 ( -1.275 7.938 0.685) 8.069 7.561 ( -0.327 -1.978 -0.289) 2.026 7.726 ( 0.055 -0.618 -1.502) 1.625 7.771 ( -1.197 -4.279 -1.212) 4.605 7.914 ( 0.762 2.080 -0.488) 2.268 7.931 ( 1.269 0.546 0.133) 1.388 8.241 ( 2.288 -2.011 0.808) 3.151 8.388 ( 1.206 -14.229 -0.985) 14.314 9.045 ( 0.160 8.476 -0.882) 8.523 9.175 ( 0.318 9.423 -0.941) 9.476 9.218 ( -0.213 -7.260 -1.142) 7.352 9.293 ( 1.916 4.219 -0.596) 4.672 9.341 ( 1.558 1.889 0.384) 2.479 9.367 ( 0.535 -6.129 -0.537) 6.176 9.758 ( 0.493 0.420 -0.208) 0.680 9.789 ( -0.048 -2.336 0.128) 2.340 9.940 ( -2.060 12.241 -2.822) 12.729 10.006 ( 2.877 9.586 2.997) 10.447 10.367 ( -1.306 -15.972 -2.177) 16.172 10.425 ( 2.081 -16.975 2.479) 17.280 11.057 ( -1.036 6.735 0.764) 6.857 11.122 ( -0.881 1.552 0.337) 1.816 11.223 ( -1.688 5.606 0.162) 5.857 11.251 ( -1.163 5.578 -0.554) 5.725 11.336 ( -1.000 -4.286 -1.327) 4.597 11.416 ( -1.340 -7.247 1.189) 7.465 11.899 ( 1.676 5.415 0.852) 5.732 11.945 ( 0.670 1.309 -0.002) 1.471 11.968 ( 0.579 1.040 -0.366) 1.245 12.007 ( -1.659 2.293 0.430) 2.863 12.203 ( 0.268 -1.491 -0.268) 1.538 12.255 ( -0.338 -3.684 -0.889) 3.804 13.376 ( -1.289 22.403 1.411) 22.484 13.417 ( -0.719 23.330 -0.429) 23.345 13.547 ( -0.420 12.353 0.757) 12.383 13.588 ( -0.130 7.173 -0.173) 7.176 13.693 ( -0.955 9.447 -0.874) 9.535 13.825 ( -1.969 2.063 -2.682) 3.914 13.931 ( -0.170 -6.289 -1.340) 6.433 13.997 ( 0.336 -11.046 -0.125) 11.052 14.107 ( 1.493 0.251 0.954) 1.789 14.159 ( 0.350 -3.563 2.476) 4.353 14.348 ( 2.525 -4.582 0.563) 5.262 14.375 ( 0.781 -5.369 0.824) 5.488 14.770 ( 2.269 -7.436 0.897) 7.826 14.903 ( 4.131 -14.013 2.738) 14.864 15.054 ( 1.097 4.854 -3.912) 6.329 15.400 ( -0.851 -2.087 -1.193) 2.550 15.414 ( 1.021 -18.267 -4.902) 18.941 15.468 ( 1.203 -4.245 1.385) 4.625 16.035 ( 2.660 15.801 1.165) 16.066 16.084 ( 1.790 13.738 -0.221) 13.856 16.230 ( -0.059 -3.823 0.044) 3.824 16.255 ( 0.094 -0.501 0.161) 0.534 16.389 ( 2.631 -15.311 0.932) 15.563 16.460 ( 1.702 -13.909 -0.593) 14.025 17.086 ( -1.183 1.925 0.495) 2.313 17.111 ( -1.272 -0.191 0.296) 1.320 17.282 ( -1.360 1.365 -0.459) 1.981 17.306 ( -1.034 -0.913 -0.355) 1.424 20.358 ( 1.514 1.410 1.780) 2.729 20.400 ( 0.932 -2.492 0.876) 2.801 20.563 ( 0.931 4.891 0.415) 4.996 20.653 ( 0.628 -3.316 -0.510) 3.413 21.322 ( -2.000 1.038 -1.358) 2.631 21.373 ( -0.824 -3.878 -1.294) 4.171 21.938 ( 1.654 0.823 0.002) 1.847 21.994 ( 1.545 -3.930 -0.436) 4.245 22.956 ( -3.483 5.535 -0.799) 6.589 23.018 ( -4.358 -0.775 0.127) 4.429 23.092 ( -1.310 3.629 0.343) 3.874 23.135 ( -0.766 -0.417 0.690) 1.112 27.280 ( -0.465 16.630 0.694) 16.651 27.361 ( -1.270 17.320 -0.759) 17.383 27.718 ( -0.666 -18.026 1.253) 18.082 27.852 ( -1.682 -22.424 -1.422) 22.532 29.790 ( 4.260 22.382 2.362) 22.906 30.129 ( 2.857 -4.661 1.447) 5.655 30.410 ( -2.729 12.346 -1.811) 12.773 30.718 ( -3.575 -10.875 -3.107) 11.861 31.395 ( -3.364 8.909 2.638) 9.881 31.543 ( -3.800 2.892 3.048) 5.665 31.599 ( -1.445 6.786 0.133) 6.939 31.797 ( 1.140 -0.391 -0.121) 1.211 31.828 ( -0.966 -0.571 -0.204) 1.140 31.900 ( -2.761 -10.864 -2.474) 11.479 31.989 ( -0.638 -4.456 0.547) 4.535 32.058 ( -1.464 -9.588 -2.967) 10.143 32.975 ( -0.390 13.525 1.749) 13.643 33.170 ( -2.657 10.105 -0.941) 10.491 33.310 ( -0.566 -3.258 0.318) 3.322 33.598 ( -4.458 -15.256 -4.109) 16.416 34.076 ( -0.966 6.762 0.053) 6.831 34.117 ( -1.282 8.215 -0.536) 8.332 34.296 ( -0.977 -0.055 -1.437) 1.738 34.483 ( -1.128 -11.947 -5.748) 13.306 35.708 ( 0.298 1.860 -1.645) 2.501 35.748 ( 0.539 -1.819 0.570) 1.981 35.815 ( 1.282 0.803 1.118) 1.880 35.829 ( 1.416 -0.533 1.756) 2.317 35.970 ( 0.638 1.900 -1.699) 2.628 36.013 ( -0.781 -2.140 -1.221) 2.585 36.245 ( 0.431 0.809 0.708) 1.158 36.255 ( -0.278 -0.125 -0.019) 0.306 37.671 ( 6.713 6.473 15.200) 17.832 37.809 ( 7.772 -5.987 13.400) 16.607 38.789 ( 5.249 1.264 -8.459) 10.035 38.899 ( 1.092 -8.433 -9.271) 12.580 ======================= Grid point 53 (31/54) ======================= q-point: (-0.43 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.647 ( 4.264 5.773 2.594) 7.632 1.755 ( 0.676 8.313 19.397) 21.114 1.849 ( -0.161 -4.924 14.145) 14.978 1.989 ( 0.015 -7.255 23.203) 24.311 2.287 ( -0.153 6.948 3.024) 7.579 2.315 ( 0.385 -1.261 9.582) 9.672 2.493 ( -4.970 13.596 2.607) 14.708 2.580 ( -3.152 3.181 -1.172) 4.629 2.716 ( -6.750 10.512 0.244) 12.495 2.794 ( -2.749 1.798 -1.246) 3.513 2.835 ( -3.631 -5.923 3.091) 7.604 2.867 ( -0.679 -3.557 3.944) 5.355 2.941 ( -4.936 2.201 -0.009) 5.405 3.069 ( 5.719 -3.322 0.842) 6.667 3.125 ( 2.528 0.279 -1.417) 2.911 3.182 ( 0.341 -0.713 -0.977) 1.256 3.247 ( -1.250 4.591 -6.626) 8.158 3.339 ( -4.912 9.902 -13.170) 17.194 3.396 ( -4.854 -1.953 -6.458) 8.312 3.451 ( -0.274 0.113 0.877) 0.926 3.514 ( -0.990 4.665 -4.360) 6.462 3.663 ( -2.818 -6.506 -2.440) 7.498 3.753 ( -8.528 0.896 -3.087) 9.113 3.837 ( -0.253 -5.731 -2.388) 6.213 3.946 ( -0.629 6.316 2.008) 6.658 4.056 ( 0.076 -0.648 5.035) 5.077 4.141 ( 2.200 8.338 -0.308) 8.629 4.210 ( -8.697 -1.693 -1.234) 8.946 4.296 ( -4.870 -1.565 -0.857) 5.187 4.391 ( 0.886 -1.701 1.004) 2.165 4.493 ( 2.824 -6.975 -2.331) 7.878 4.521 ( 1.312 -9.551 -3.482) 10.250 4.660 ( 2.211 4.736 -1.662) 5.485 4.739 ( 1.233 3.338 -5.223) 6.320 4.805 ( 1.969 -1.444 -6.691) 7.123 4.906 ( 0.961 -7.136 4.127) 8.299 5.059 ( -1.446 6.475 -2.712) 7.168 5.159 ( -3.523 -0.657 1.033) 3.730 5.461 ( -1.540 2.016 -0.821) 2.666 5.484 ( -0.897 2.827 -0.532) 3.014 5.640 ( -0.290 -3.964 0.841) 4.063 5.649 ( 0.251 -1.795 2.541) 3.122 5.815 ( 0.261 4.478 1.310) 4.672 5.879 ( 0.735 -2.214 -0.100) 2.335 6.644 ( 0.673 3.038 0.893) 3.237 6.728 ( 1.708 -4.197 2.080) 4.986 7.062 ( 2.232 -2.405 2.351) 4.036 7.111 ( 0.128 -6.656 0.548) 6.680 7.451 ( 1.723 7.984 1.213) 8.257 7.555 ( -0.216 -0.983 -0.620) 1.182 7.715 ( -0.919 -1.060 -1.908) 2.368 7.753 ( -0.316 -4.414 -1.623) 4.714 7.911 ( -1.002 2.848 -0.115) 3.021 7.950 ( 0.318 0.165 0.038) 0.360 8.256 ( -1.068 -2.893 1.305) 3.348 8.384 ( -1.712 -13.668 -1.208) 13.828 9.034 ( -1.056 8.582 -1.246) 8.736 9.172 ( -0.717 8.809 -0.973) 8.892 9.207 ( -0.751 -6.796 -1.314) 6.963 9.298 ( -1.513 2.977 -0.381) 3.361 9.335 ( -2.118 2.722 -0.092) 3.450 9.366 ( -0.284 -5.698 -0.314) 5.714 9.762 ( -0.172 -1.317 -0.656) 1.481 9.784 ( -0.153 -1.780 0.662) 1.905 9.899 ( -1.407 14.444 -1.789) 14.622 10.048 ( 0.728 7.884 1.903) 8.143 10.347 ( -0.361 -15.126 -1.262) 15.183 10.459 ( 0.870 -17.181 1.880) 17.305 11.054 ( 0.749 6.999 0.713) 7.075 11.125 ( 1.163 1.301 0.416) 1.794 11.219 ( 1.362 6.181 0.083) 6.330 11.247 ( 0.880 5.182 -0.657) 5.297 11.338 ( 1.169 -4.276 -1.369) 4.640 11.412 ( 0.953 -7.345 1.169) 7.498 11.923 ( -0.579 5.852 1.495) 6.068 11.948 ( 0.035 -1.187 0.389) 1.250 11.959 ( -0.323 3.110 -0.504) 3.167 12.005 ( 0.826 3.399 -0.160) 3.501 12.195 ( -0.801 -2.508 -0.203) 2.641 12.244 ( -0.590 -4.036 -1.313) 4.285 13.364 ( 0.092 22.825 0.843) 22.841 13.422 ( 1.068 22.662 0.040) 22.687 13.548 ( 0.622 12.001 0.808) 12.044 13.596 ( 0.827 7.962 -0.018) 8.005 13.687 ( 0.428 8.441 -0.866) 8.496 13.802 ( 0.028 4.310 -3.291) 5.423 13.924 ( -0.304 -6.763 -1.265) 6.887 14.008 ( 0.616 -11.615 0.236) 11.634 14.115 ( -0.921 -0.571 0.543) 1.212 14.162 ( -0.154 -5.248 2.593) 5.856 14.365 ( -1.004 -4.650 0.733) 4.813 14.382 ( 0.003 -5.020 1.288) 5.183 14.783 ( -1.141 -5.901 1.643) 6.231 14.936 ( -1.080 -15.124 3.749) 15.619 15.038 ( -2.399 4.275 -4.330) 6.541 15.365 ( -4.284 -21.364 -5.106) 22.379 15.404 ( -0.383 3.997 -1.994) 4.483 15.492 ( 1.140 -4.113 1.201) 4.433 16.034 ( -2.742 16.287 1.118) 16.554 16.093 ( -1.067 13.167 -0.051) 13.210 16.230 ( 0.017 -3.528 -0.060) 3.529 16.250 ( -0.461 -1.068 0.235) 1.187 16.394 ( -2.312 -15.078 0.978) 15.286 16.463 ( -1.221 -13.995 -0.505) 14.057 17.083 ( 0.993 1.966 0.462) 2.251 17.108 ( 0.948 -0.226 0.245) 1.005 17.276 ( 0.796 1.675 -0.609) 1.952 17.307 ( 1.094 -1.154 -0.350) 1.628 20.370 ( -0.542 0.818 2.147) 2.361 20.400 ( -0.954 -2.002 0.998) 2.432 20.556 ( -1.597 4.113 0.329) 4.425 20.632 ( -2.379 -2.670 -1.268) 3.794 21.315 ( 1.370 1.680 -1.394) 2.577 21.386 ( 2.028 -5.004 -1.124) 5.515 21.948 ( -0.987 0.484 0.233) 1.124 21.992 ( -1.680 -3.174 -0.528) 3.630 22.961 ( 3.799 4.877 -1.015) 6.265 23.003 ( 3.156 0.161 0.210) 3.167 23.092 ( 1.370 3.322 0.310) 3.606 23.135 ( 0.691 -0.584 0.629) 1.102 27.278 ( 0.279 16.627 0.614) 16.640 27.367 ( 1.959 17.108 -0.573) 17.229 27.723 ( 1.051 -18.291 1.394) 18.374 27.852 ( 1.725 -21.803 -1.474) 21.920 29.877 ( 3.403 22.234 6.734) 23.479 30.126 ( -3.857 10.192 -2.500) 11.181 30.361 ( -0.929 -0.662 0.542) 1.263 30.604 ( -6.536 -12.004 -7.583) 15.631 31.368 ( 0.988 4.622 1.445) 4.942 31.476 ( -2.091 -3.190 2.209) 4.408 31.640 ( 5.257 16.205 -0.468) 17.043 31.812 ( 0.299 2.424 0.665) 2.531 31.824 ( -0.227 0.583 -0.042) 0.627 31.917 ( 3.406 -8.022 -0.861) 8.757 32.006 ( 0.705 -6.848 0.877) 6.940 32.094 ( 7.366 -12.917 -2.566) 15.089 32.991 ( 1.722 13.928 2.567) 14.267 33.151 ( 0.949 13.395 -2.237) 13.613 33.327 ( 1.967 -7.482 1.824) 7.948 33.564 ( 1.432 -15.011 -5.518) 16.057 34.072 ( 0.513 6.857 -0.251) 6.881 34.119 ( 1.388 7.413 -0.265) 7.546 34.295 ( 0.965 0.790 -1.752) 2.150 34.487 ( 1.984 -11.872 -5.335) 13.166 35.701 ( -0.750 1.906 -1.437) 2.502 35.744 ( -0.844 -2.095 0.349) 2.285 35.826 ( -0.347 1.280 1.344) 1.888 35.847 ( 0.087 -0.689 2.178) 2.286 35.984 ( 0.673 0.299 -2.237) 2.355 35.998 ( -0.548 -0.958 -0.883) 1.413 36.243 ( -0.111 1.615 0.400) 1.667 36.268 ( 1.092 -0.615 0.230) 1.274 37.655 ( -8.741 9.721 14.480) 19.509 37.878 ( -2.465 -10.600 16.658) 19.898 38.765 ( -7.142 1.849 -10.035) 12.455 38.877 ( -2.445 -7.912 -9.995) 12.980 ======================= Grid point 54 (32/54) ======================= q-point: (-0.29 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.701 ( -3.707 11.474 11.928) 16.960 1.752 ( 0.733 4.049 6.808) 7.955 1.847 ( -2.590 1.834 15.321) 15.646 1.971 ( -3.617 -7.387 18.665) 20.397 2.265 ( -5.596 14.127 -3.199) 15.528 2.315 ( -15.591 6.530 11.898) 20.671 2.320 ( -3.407 -0.176 9.583) 10.172 2.440 ( -6.680 1.959 1.877) 7.210 2.573 ( -15.446 -4.510 -3.511) 16.470 2.576 ( -6.448 -0.692 0.144) 6.487 2.678 ( -10.071 8.440 -1.131) 13.189 2.780 ( -9.556 -2.993 3.629) 10.651 2.871 ( -3.532 2.902 5.497) 7.149 3.042 ( -7.714 8.376 -5.364) 12.587 3.116 ( -0.148 -3.327 -4.366) 5.491 3.160 ( -10.026 0.126 -5.067) 11.234 3.243 ( 4.043 -4.674 -2.579) 6.697 3.301 ( -0.151 7.020 -1.489) 7.178 3.321 ( 2.180 -5.734 -7.330) 9.559 3.430 ( -7.897 0.312 -7.351) 10.794 3.457 ( -1.428 4.459 4.346) 6.388 3.494 ( -2.590 -0.854 -3.221) 4.221 3.652 ( -2.767 0.311 -1.553) 3.188 3.769 ( -6.267 -6.787 -1.619) 9.378 3.895 ( -6.116 2.565 3.790) 7.638 4.004 ( -6.616 -4.620 2.422) 8.425 4.034 ( -1.355 4.750 -0.376) 4.953 4.159 ( 1.842 -5.014 -1.336) 5.506 4.260 ( 0.743 9.119 0.445) 9.160 4.427 ( 2.583 0.318 1.832) 3.183 4.515 ( 0.173 -7.656 -1.607) 7.825 4.584 ( 3.672 -3.937 -5.530) 7.718 4.707 ( 2.830 4.384 -7.587) 9.208 4.761 ( 1.410 7.288 -0.014) 7.423 4.859 ( 3.569 -4.879 -6.951) 9.212 4.937 ( 1.210 -3.648 4.051) 5.584 5.040 ( 0.300 1.047 -1.943) 2.227 5.099 ( -1.985 -0.760 0.862) 2.294 5.387 ( -3.607 0.991 -1.503) 4.031 5.465 ( -1.723 -3.055 -0.433) 3.534 5.589 ( -2.507 2.752 0.404) 3.745 5.688 ( 1.031 -3.721 3.307) 5.084 5.828 ( 0.824 5.053 0.968) 5.210 5.907 ( 1.828 -2.013 0.564) 2.777 6.675 ( 1.923 3.904 0.801) 4.425 6.770 ( 1.814 -3.946 1.356) 4.550 7.112 ( 1.237 -4.417 1.790) 4.924 7.130 ( 2.500 -4.495 -0.012) 5.144 7.505 ( 2.903 5.775 0.993) 6.540 7.548 ( -0.448 0.618 -0.909) 1.187 7.681 ( -2.123 0.743 0.026) 2.249 7.759 ( 0.655 -4.533 -0.508) 4.608 7.874 ( -2.394 3.421 -0.920) 4.276 7.942 ( -1.167 -0.704 -1.838) 2.288 8.196 ( -4.580 -4.983 0.514) 6.788 8.305 ( -5.769 -13.873 -2.038) 15.162 9.008 ( -1.143 9.166 -0.497) 9.250 9.134 ( -2.925 9.892 -1.003) 10.364 9.188 ( -1.081 -6.653 -1.406) 6.885 9.224 ( -5.176 2.996 -0.457) 5.998 9.282 ( -2.303 1.094 0.528) 2.603 9.361 ( -0.303 -7.110 -0.443) 7.130 9.756 ( -0.415 1.159 -0.506) 1.331 9.784 ( -0.035 -0.545 0.883) 1.038 9.898 ( 1.772 12.122 0.053) 12.251 10.043 ( -0.723 4.476 0.389) 4.551 10.363 ( 2.176 -13.067 -0.268) 13.250 10.467 ( 0.179 -16.317 0.415) 16.323 11.083 ( 1.670 7.605 0.600) 7.809 11.159 ( 1.666 1.640 0.529) 2.397 11.274 ( 3.446 6.170 -0.003) 7.067 11.283 ( 2.613 6.866 -0.472) 7.362 11.381 ( 2.972 -5.179 -1.680) 6.203 11.457 ( 3.093 -7.883 1.454) 8.592 11.873 ( -3.294 0.290 -0.399) 3.331 11.908 ( -3.145 -2.985 0.232) 4.343 11.996 ( 1.958 8.152 1.011) 8.445 12.032 ( 1.860 8.829 -0.353) 9.029 12.181 ( -0.388 -4.374 1.416) 4.614 12.232 ( -0.420 -5.020 -1.323) 5.209 13.380 ( 1.361 22.587 0.897) 22.646 13.454 ( 1.714 21.140 0.924) 21.229 13.572 ( 1.428 12.454 1.005) 12.575 13.617 ( 1.068 10.797 -0.097) 10.850 13.707 ( 1.577 9.941 -1.011) 10.116 13.824 ( 2.266 5.773 -2.670) 6.752 13.920 ( -0.139 -6.323 -0.806) 6.375 14.015 ( -0.066 -10.258 0.076) 10.259 14.082 ( -1.824 -2.152 0.946) 2.976 14.159 ( -0.088 -11.370 1.530) 11.473 14.315 ( -4.030 -4.428 -0.478) 6.006 14.386 ( 0.797 -7.693 2.280) 8.063 14.724 ( -4.594 -6.282 1.541) 7.934 14.869 ( -5.264 -14.809 4.755) 16.420 14.943 ( -6.479 3.802 -6.091) 9.671 15.190 ( -11.766 -13.865 -7.941) 19.843 15.415 ( 1.423 2.418 -1.025) 2.987 15.520 ( 1.466 -4.962 0.848) 5.243 15.939 ( -5.907 17.218 1.371) 18.254 16.043 ( -3.515 15.632 -0.896) 16.047 16.229 ( -0.246 -3.864 -0.155) 3.875 16.242 ( -0.175 -2.263 0.320) 2.292 16.314 ( -4.454 -15.204 0.856) 15.866 16.430 ( -1.342 -15.275 -0.711) 15.351 17.120 ( 2.127 1.967 0.248) 2.908 17.141 ( 1.933 0.108 0.073) 1.938 17.307 ( 1.978 1.634 -0.628) 2.641 17.343 ( 2.065 -1.542 -0.661) 2.661 20.341 ( -2.127 0.645 2.190) 3.120 20.368 ( -1.930 -1.757 0.880) 2.754 20.509 ( -2.507 3.696 0.251) 4.473 20.573 ( -2.677 -1.991 -0.783) 3.426 21.365 ( 3.073 2.156 -1.579) 4.072 21.440 ( 2.754 -4.696 -1.254) 5.586 21.901 ( -3.115 -0.311 -0.315) 3.147 21.939 ( -3.040 -3.278 -0.189) 4.474 23.071 ( 5.732 6.924 -1.181) 9.066 23.143 ( 8.932 1.175 1.044) 9.069 23.164 ( 4.263 -0.182 0.284) 4.277 23.169 ( 4.789 0.496 0.698) 4.864 27.291 ( 0.912 16.835 0.844) 16.881 27.440 ( 4.983 14.088 -0.998) 14.977 27.766 ( 3.226 -15.961 1.634) 16.365 27.916 ( 4.243 -19.321 -2.146) 19.898 29.904 ( -2.127 19.954 7.641) 21.472 29.981 ( -9.055 17.092 -7.158) 20.625 30.337 ( -2.578 -5.210 4.318) 7.241 30.462 ( -6.017 -12.881 -9.636) 17.175 31.419 ( 2.694 2.353 -0.863) 3.679 31.507 ( 6.149 -4.154 4.240) 8.547 31.765 ( 3.791 9.210 1.410) 10.059 31.808 ( -0.817 1.285 0.608) 1.640 31.831 ( 1.464 7.056 -0.078) 7.207 32.000 ( 0.902 -9.404 0.257) 9.450 32.049 ( 9.973 5.888 -3.296) 12.041 32.356 ( 15.629 -15.739 -3.230) 22.414 33.043 ( 2.919 14.482 3.271) 15.131 33.223 ( 6.945 14.079 -4.200) 16.251 33.386 ( 3.678 -6.167 1.637) 7.365 33.670 ( 10.123 -15.868 -9.903) 21.268 34.097 ( 1.896 7.092 -0.490) 7.357 34.166 ( 2.922 5.438 -0.283) 6.180 34.335 ( 2.949 3.107 -2.543) 4.982 34.552 ( 4.267 -11.988 -5.772) 13.972 35.680 ( -1.191 1.554 -2.059) 2.841 35.717 ( -1.686 -1.960 -0.726) 2.685 35.808 ( -1.279 1.497 1.344) 2.384 35.835 ( -1.336 -0.884 1.862) 2.456 35.977 ( -1.020 0.599 -1.336) 1.784 35.994 ( -0.371 -0.845 -0.751) 1.189 36.244 ( -0.069 2.310 0.340) 2.336 36.290 ( 0.847 -1.847 -0.208) 2.042 37.344 ( -21.542 14.484 19.021) 32.182 37.716 ( -14.383 -20.290 23.650) 34.321 38.535 ( -13.019 8.449 -11.538) 19.339 38.779 ( -5.834 -13.579 -9.899) 17.788 ======================= Grid point 55 (33/54) ======================= q-point: (-0.14 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.527 ( -29.500 14.704 10.253) 34.519 1.574 ( -12.802 21.176 8.473) 26.156 1.708 ( -9.831 5.747 0.970) 11.429 1.805 ( -19.786 -1.322 8.073) 21.411 1.851 ( -10.907 -7.809 12.300) 18.200 1.946 ( -19.809 -9.525 4.159) 22.370 2.114 ( -18.824 -0.446 -2.621) 19.011 2.177 ( -14.955 -4.811 -1.366) 15.769 2.418 ( -7.339 6.886 5.316) 11.381 2.446 ( 2.202 13.881 -2.743) 14.320 2.518 ( -1.274 1.608 12.660) 12.825 2.690 ( 2.864 -1.649 3.344) 4.702 2.811 ( -1.921 4.533 8.207) 9.571 2.919 ( -4.310 7.503 0.800) 8.690 3.036 ( -0.517 -0.395 -1.823) 1.936 3.119 ( 0.260 -8.257 -3.665) 9.038 3.245 ( -1.056 -0.235 -2.991) 3.181 3.311 ( 2.273 -1.745 -3.730) 4.704 3.327 ( -0.900 5.318 -5.145) 7.454 3.372 ( -0.925 -0.119 -4.001) 4.108 3.427 ( -2.995 5.996 -0.547) 6.725 3.516 ( 4.453 1.426 1.190) 4.825 3.613 ( -4.028 -7.094 -0.668) 8.185 3.659 ( 0.530 -5.095 1.403) 5.311 3.797 ( -2.322 2.427 2.193) 4.011 3.912 ( -2.053 -6.106 0.181) 6.445 4.077 ( 2.529 5.819 -1.026) 6.427 4.206 ( 0.818 -1.782 -0.770) 2.106 4.272 ( 1.275 5.140 0.653) 5.336 4.442 ( -1.922 -6.111 3.206) 7.163 4.532 ( 2.131 4.267 -2.763) 5.513 4.638 ( 1.401 2.098 -4.215) 4.912 4.751 ( 1.309 7.082 -9.229) 11.707 4.816 ( 3.539 2.661 0.700) 4.483 4.924 ( 2.077 -7.641 -6.911) 10.510 4.958 ( 1.062 1.283 1.361) 2.151 5.062 ( 0.214 -2.984 0.214) 3.000 5.086 ( 1.741 -3.095 -0.390) 3.572 5.339 ( -0.878 -1.695 -1.176) 2.242 5.414 ( -2.508 -7.773 -3.273) 8.799 5.551 ( -1.098 7.313 3.114) 8.024 5.688 ( -0.846 -4.778 1.544) 5.092 5.850 ( 1.209 4.646 1.523) 5.036 5.949 ( 1.948 -3.051 1.944) 4.109 6.716 ( 1.883 3.165 0.607) 3.733 6.789 ( -0.350 -2.749 0.403) 2.801 7.127 ( 0.558 -1.287 -0.990) 1.716 7.177 ( 1.032 -5.460 0.057) 5.557 7.537 ( -0.081 0.703 -0.490) 0.861 7.547 ( 0.508 0.514 0.180) 0.744 7.659 ( 0.536 6.617 2.198) 6.993 7.758 ( -1.559 -1.252 1.580) 2.548 7.822 ( -1.755 2.884 -3.183) 4.640 7.894 ( -2.906 -0.523 -3.414) 4.514 8.094 ( -4.464 -8.503 -0.684) 9.628 8.182 ( -4.380 -14.452 0.242) 15.103 8.989 ( -0.725 9.445 0.342) 9.479 9.064 ( -3.139 8.588 -0.290) 9.148 9.111 ( -4.816 2.761 -0.440) 5.569 9.166 ( -0.911 -3.956 -1.180) 4.228 9.247 ( -1.160 -1.509 0.262) 1.921 9.352 ( -0.385 -7.849 -0.994) 7.921 9.743 ( -0.632 4.253 -0.176) 4.303 9.775 ( -0.894 1.776 0.664) 2.097 9.968 ( 4.154 7.072 0.473) 8.215 10.036 ( 0.018 2.717 -0.643) 2.792 10.429 ( 3.576 -12.272 0.125) 12.783 10.476 ( 0.583 -14.480 -0.507) 14.501 11.114 ( 1.084 7.862 0.469) 7.951 11.185 ( 0.819 2.182 0.398) 2.364 11.332 ( 2.285 5.323 -0.625) 5.826 11.356 ( 3.352 8.506 0.379) 9.150 11.446 ( 2.974 -6.044 -2.058) 7.043 11.522 ( 2.369 -7.856 0.948) 8.260 11.813 ( -1.859 -0.652 -0.263) 1.988 11.840 ( -2.793 -2.704 0.526) 3.923 12.024 ( 0.787 9.489 0.314) 9.526 12.072 ( 1.557 9.412 0.797) 9.573 12.180 ( -0.086 -5.344 2.329) 5.830 12.231 ( 0.412 -5.101 -0.885) 5.194 13.414 ( 1.619 20.906 1.781) 21.044 13.478 ( 0.243 17.473 2.053) 17.595 13.599 ( 0.928 13.656 0.366) 13.693 13.638 ( 0.856 14.097 -0.478) 14.131 13.764 ( 4.343 14.449 -0.205) 15.089 13.880 ( 2.363 1.830 -0.738) 3.079 13.904 ( -1.710 -0.561 -1.130) 2.125 14.012 ( -0.122 -8.776 -0.473) 8.790 14.066 ( 0.824 -3.365 1.801) 3.904 14.162 ( -0.592 -12.506 0.602) 12.534 14.204 ( -5.251 -4.506 -0.783) 6.964 14.411 ( 0.754 -18.745 0.665) 18.772 14.610 ( -5.439 -6.929 0.900) 8.855 14.761 ( -4.592 -15.600 4.418) 16.851 14.787 ( -7.080 2.431 -8.815) 11.565 14.912 ( -12.112 -7.357 -7.240) 15.914 15.457 ( 2.342 2.737 -1.200) 3.797 15.548 ( 0.985 -4.449 0.312) 4.568 15.824 ( -4.527 17.192 1.113) 17.813 15.960 ( -3.775 15.354 -2.287) 15.976 16.210 ( -1.243 -10.143 0.044) 10.219 16.245 ( -0.288 -7.903 0.646) 7.934 16.255 ( -0.457 -1.970 -0.412) 2.063 16.411 ( -0.785 -14.550 -1.681) 14.668 17.157 ( 1.204 2.213 -0.137) 2.523 17.178 ( 1.481 0.549 -0.155) 1.587 17.347 ( 1.790 0.912 -0.648) 2.110 17.379 ( 1.267 -1.898 -0.898) 2.453 20.296 ( -2.009 1.114 1.836) 2.940 20.333 ( -1.320 -2.172 0.603) 2.612 20.471 ( -0.904 4.008 0.094) 4.110 20.532 ( -1.176 -1.627 0.083) 2.010 21.418 ( 1.692 2.682 -1.600) 3.552 21.483 ( 1.376 -2.862 -0.997) 3.329 21.841 ( -2.114 -0.984 -0.565) 2.399 21.881 ( -2.174 -4.038 0.289) 4.596 23.167 ( 3.474 5.259 -0.130) 6.304 23.222 ( 2.696 -0.323 0.563) 2.773 23.329 ( 8.618 2.980 0.135) 9.120 23.350 ( 8.112 1.013 0.457) 8.188 27.313 ( 1.016 17.001 1.386) 17.087 27.548 ( 4.484 3.782 -1.825) 6.143 27.863 ( 5.569 -9.138 0.115) 10.702 28.003 ( 3.702 -14.082 -2.804) 14.828 29.772 ( -8.019 18.401 -5.622) 20.845 29.809 ( -7.287 16.571 4.021) 18.544 30.260 ( -4.326 -3.836 3.044) 6.534 30.371 ( -1.583 -14.399 -8.161) 16.626 31.486 ( 3.727 7.178 -0.812) 8.129 31.674 ( 7.042 -8.612 8.183) 13.810 31.788 ( 0.465 4.400 1.512) 4.676 31.801 ( 0.212 0.478 1.168) 1.279 31.853 ( 0.241 4.176 0.670) 4.236 32.008 ( 0.491 -9.552 0.188) 9.567 32.336 ( 13.182 13.620 -7.820) 20.504 32.626 ( 8.612 -12.118 -4.936) 15.664 33.101 ( 2.038 14.416 3.330) 14.936 33.381 ( 3.396 -10.113 2.465) 10.949 33.587 ( 21.541 22.159 -18.084) 35.806 33.998 ( 21.187 -13.994 -20.084) 32.375 34.143 ( 2.283 7.122 -0.806) 7.522 34.233 ( 3.792 2.383 -1.479) 4.716 34.403 ( 3.235 5.195 -4.091) 7.361 34.636 ( 3.495 -11.848 -7.911) 14.669 35.637 ( -3.625 0.839 -3.833) 5.342 35.660 ( -4.805 -1.324 -3.427) 6.049 35.776 ( -1.833 1.140 0.974) 2.368 35.794 ( -2.572 -0.336 1.181) 2.850 35.956 ( -0.227 1.300 0.333) 1.361 35.986 ( 0.711 -1.511 2.208) 2.768 36.222 ( -2.906 2.663 -0.941) 4.052 36.291 ( -1.163 -3.412 -1.246) 3.814 36.853 ( -23.829 16.667 31.492) 42.865 37.322 ( -23.737 -29.637 39.603) 54.865 38.284 ( -8.766 15.927 -10.783) 21.138 38.662 ( -3.949 -19.359 -9.177) 21.785 ======================= Grid point 70 (34/54) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.208 ( 15.269 0.000 -18.695) 24.138 0.821 ( -0.632 0.000 22.542) 22.551 1.114 ( 0.414 0.000 6.797) 6.810 1.201 ( 2.041 0.000 -17.563) 17.681 1.688 ( 1.523 0.000 9.936) 10.052 1.888 ( 3.382 0.000 26.473) 26.688 2.012 ( 2.042 0.000 -0.455) 2.092 2.109 ( -4.709 0.000 13.187) 14.003 2.189 ( 0.132 0.000 -21.994) 21.994 2.489 ( -1.242 0.000 -3.481) 3.696 2.508 ( -2.106 0.000 11.782) 11.969 2.762 ( 2.359 0.000 0.320) 2.381 2.777 ( 4.451 0.000 10.055) 10.996 2.800 ( -0.005 0.000 1.381) 1.381 2.862 ( -1.506 0.000 2.071) 2.561 3.017 ( -3.026 0.000 -12.054) 12.429 3.131 ( -3.821 0.000 -14.254) 14.758 3.157 ( -1.855 0.000 12.742) 12.877 3.328 ( -0.461 0.000 -1.087) 1.181 3.328 ( -3.472 0.000 -0.822) 3.568 3.474 ( -1.341 0.000 -3.738) 3.972 3.528 ( 0.807 0.000 -16.090) 16.110 3.551 ( 4.842 0.000 -3.735) 6.115 3.714 ( -0.362 0.000 -4.437) 4.452 3.885 ( 2.225 0.000 7.478) 7.802 4.021 ( -1.419 0.000 9.460) 9.566 4.087 ( 0.146 0.000 3.125) 3.129 4.124 ( -4.847 0.000 -7.236) 8.710 4.163 ( 1.790 0.000 0.641) 1.902 4.470 ( 0.962 0.000 -7.051) 7.116 4.498 ( 0.326 0.000 -0.470) 0.572 4.587 ( 1.175 0.000 0.196) 1.191 4.618 ( -0.587 0.000 1.185) 1.322 4.686 ( 0.866 0.000 -3.201) 3.316 4.759 ( -4.159 0.000 10.391) 11.192 4.985 ( 3.523 0.000 -4.180) 5.467 5.118 ( 1.451 0.000 0.026) 1.451 5.376 ( -0.247 0.000 -0.464) 0.525 5.392 ( 2.223 0.000 6.021) 6.418 5.424 ( -1.126 0.000 -2.373) 2.627 5.659 ( -0.473 0.000 -1.773) 1.835 5.911 ( -1.319 0.000 -0.378) 1.372 5.911 ( -2.089 0.000 0.001) 2.089 6.123 ( -1.414 0.000 -5.092) 5.285 6.696 ( 0.865 0.000 2.182) 2.347 6.917 ( 0.898 0.000 -1.299) 1.579 7.165 ( -0.323 0.000 -0.814) 0.875 7.367 ( -1.612 0.000 1.038) 1.917 7.442 ( 0.116 0.000 1.525) 1.529 7.559 ( 0.831 0.000 1.347) 1.583 7.713 ( -0.131 0.000 1.450) 1.456 7.784 ( 1.081 0.000 -1.953) 2.232 7.866 ( 1.566 0.000 0.669) 1.703 7.931 ( 0.139 0.000 0.110) 0.177 8.296 ( -0.520 0.000 -0.826) 0.976 8.535 ( -0.075 0.000 0.177) 0.192 8.763 ( -1.300 0.000 0.718) 1.485 8.815 ( 3.084 0.000 -0.851) 3.199 8.924 ( -0.306 0.000 -0.089) 0.319 9.015 ( 0.411 0.000 -0.239) 0.475 9.517 ( -0.058 0.000 -0.157) 0.168 9.529 ( -0.063 0.000 0.586) 0.590 9.562 ( -0.277 0.000 -0.313) 0.418 9.583 ( 0.074 0.000 -0.027) 0.079 10.035 ( 0.745 0.000 -0.228) 0.779 10.106 ( -0.691 0.000 0.384) 0.791 10.741 ( -0.098 0.000 -0.104) 0.143 10.772 ( 0.105 0.000 0.091) 0.139 11.110 ( 0.298 0.000 -0.077) 0.308 11.126 ( -0.274 0.000 -0.189) 0.333 11.127 ( 0.046 0.000 0.023) 0.052 11.169 ( -1.182 0.000 -0.010) 1.182 11.577 ( -0.107 0.000 -0.003) 0.107 11.638 ( -0.130 0.000 0.027) 0.133 11.680 ( 1.793 0.000 -0.882) 1.998 11.742 ( -1.308 0.000 -1.422) 1.932 11.885 ( -0.010 0.000 0.794) 0.794 12.015 ( 0.042 0.000 1.250) 1.251 12.147 ( -0.100 0.000 -0.442) 0.454 12.193 ( 0.081 0.000 0.074) 0.110 12.676 ( 0.451 0.000 2.015) 2.065 12.739 ( -0.379 0.000 -2.040) 2.075 13.227 ( 0.247 0.000 -0.643) 0.689 13.254 ( -0.201 0.000 -0.198) 0.282 13.305 ( 0.027 0.000 0.025) 0.037 13.351 ( -0.405 0.000 0.424) 0.587 13.980 ( 0.801 0.000 -0.365) 0.880 14.022 ( 1.980 0.000 -0.086) 1.982 14.032 ( -0.400 0.000 -0.145) 0.425 14.103 ( 0.603 0.000 0.584) 0.840 14.570 ( -1.071 0.000 0.053) 1.072 14.610 ( 1.520 0.000 -0.638) 1.648 14.950 ( -0.181 0.000 -0.395) 0.435 15.032 ( -0.315 0.000 -0.509) 0.599 15.190 ( 0.170 0.000 0.214) 0.273 15.210 ( -0.173 0.000 -0.192) 0.259 15.233 ( -0.013 0.000 1.456) 1.456 15.310 ( 7.378 0.000 0.532) 7.398 15.666 ( 0.064 0.000 0.712) 0.715 15.750 ( 1.681 0.000 -0.508) 1.756 16.311 ( 0.225 0.000 0.550) 0.594 16.332 ( -0.407 0.000 -1.071) 1.146 16.703 ( 0.538 0.000 0.584) 0.794 16.793 ( -1.652 0.000 -0.567) 1.747 17.088 ( -0.205 0.000 -0.630) 0.662 17.164 ( -0.103 0.000 0.206) 0.230 17.360 ( -0.010 0.000 1.695) 1.695 17.419 ( 0.106 0.000 -1.047) 1.053 20.244 ( 0.017 0.000 -0.966) 0.966 20.305 ( -1.373 0.000 1.887) 2.334 20.435 ( -0.052 0.000 0.393) 0.396 20.469 ( 1.242 0.000 -1.494) 1.942 21.375 ( -1.791 0.000 -0.109) 1.795 21.514 ( -0.444 0.000 0.163) 0.473 21.946 ( -0.107 0.000 -0.120) 0.161 22.011 ( 0.331 0.000 0.644) 0.724 23.071 ( -0.476 0.000 -0.663) 0.816 23.213 ( -0.174 0.000 -0.629) 0.652 23.250 ( -0.271 0.000 0.770) 0.816 23.348 ( 0.036 0.000 0.197) 0.200 26.809 ( -0.106 0.000 -0.576) 0.586 26.915 ( 0.109 0.000 0.587) 0.597 28.678 ( -0.406 0.000 0.040) 0.408 28.796 ( -0.503 0.000 4.317) 4.346 28.860 ( 12.671 0.000 -0.145) 12.671 28.890 ( 0.435 0.000 -4.931) 4.950 30.190 ( -0.364 0.000 0.203) 0.417 30.258 ( 0.513 0.000 -0.219) 0.558 31.184 ( 2.007 0.000 2.356) 3.095 31.251 ( -1.932 0.000 -4.629) 5.016 31.735 ( -0.179 0.000 2.841) 2.846 31.797 ( 0.239 0.000 -3.358) 3.367 32.315 ( 0.368 0.000 5.606) 5.618 32.397 ( 0.026 0.000 -0.826) 0.827 32.463 ( 0.298 0.000 1.920) 1.943 32.506 ( -0.313 0.000 -1.971) 1.995 32.708 ( 4.852 0.000 19.446) 20.042 33.077 ( -6.854 0.000 -16.944) 18.278 33.724 ( 0.085 0.000 -0.453) 0.461 33.787 ( -0.024 0.000 0.054) 0.059 33.985 ( -4.352 0.000 7.572) 8.734 34.230 ( 7.259 0.000 -20.039) 21.314 34.616 ( 1.686 0.000 5.314) 5.575 34.761 ( -2.831 0.000 -5.562) 6.241 35.527 ( -0.931 0.000 -0.005) 0.931 35.547 ( -0.680 0.000 0.013) 0.680 35.717 ( -0.041 0.000 -0.051) 0.066 35.766 ( -0.093 0.000 0.380) 0.391 35.963 ( 0.375 0.000 0.104) 0.390 35.985 ( -1.230 0.000 0.173) 1.242 36.273 ( -0.117 0.000 3.493) 3.495 36.345 ( 0.158 0.000 -2.399) 2.404 36.852 ( 4.806 0.000 28.873) 29.270 37.339 ( -6.669 0.000 -20.812) 21.855 39.086 ( -2.797 0.000 2.723) 3.903 39.159 ( 2.496 0.000 -3.361) 4.187 ======================= Grid point 71 (35/54) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( 16.847 0.000 -20.054) 26.191 1.150 ( 1.235 0.000 6.323) 6.442 1.367 ( 32.075 0.000 15.081) 35.444 1.677 ( 33.699 0.000 -14.500) 36.686 1.708 ( -0.074 0.000 5.666) 5.666 2.084 ( 17.460 0.000 28.414) 33.349 2.137 ( -3.046 0.000 -21.267) 21.484 2.299 ( 24.605 0.000 4.276) 24.973 2.356 ( 12.459 0.000 -4.342) 13.194 2.475 ( -1.219 0.000 13.212) 13.269 2.641 ( 16.773 0.000 7.436) 18.347 2.751 ( -0.493 0.000 1.090) 1.196 2.852 ( 0.349 0.000 -1.229) 1.278 2.888 ( -1.483 0.000 0.307) 1.515 2.907 ( 14.238 0.000 1.140) 14.283 3.026 ( 7.378 0.000 -2.393) 7.756 3.047 ( -3.604 0.000 -9.237) 9.915 3.156 ( 2.153 0.000 14.003) 14.167 3.259 ( -1.269 0.000 0.044) 1.270 3.319 ( -0.878 0.000 1.038) 1.359 3.490 ( 3.607 0.000 0.012) 3.607 3.522 ( -0.093 0.000 -16.171) 16.171 3.670 ( -2.796 0.000 -4.852) 5.600 3.707 ( 6.252 0.000 -8.284) 10.378 3.869 ( -4.527 0.000 2.951) 5.404 3.978 ( -7.471 0.000 2.165) 7.779 3.989 ( -1.174 0.000 7.036) 7.133 4.081 ( -0.443 0.000 3.962) 3.987 4.210 ( 3.395 0.000 -0.745) 3.476 4.483 ( 0.840 0.000 -7.517) 7.564 4.502 ( 0.045 0.000 -0.906) 0.908 4.578 ( -2.713 0.000 -0.923) 2.865 4.636 ( 0.443 0.000 0.076) 0.450 4.676 ( -1.908 0.000 10.937) 11.102 4.684 ( -0.851 0.000 -2.655) 2.788 5.033 ( 0.335 0.000 -3.907) 3.922 5.130 ( 0.705 0.000 -4.424) 4.480 5.350 ( -4.778 0.000 1.183) 4.922 5.373 ( -0.184 0.000 -0.252) 0.312 5.468 ( 3.950 0.000 0.274) 3.960 5.635 ( -1.265 0.000 -0.565) 1.386 5.698 ( -14.243 0.000 5.051) 15.113 5.927 ( 1.581 0.000 -0.569) 1.680 6.010 ( -5.930 0.000 0.913) 6.000 6.704 ( -0.046 0.000 0.207) 0.212 6.889 ( -1.425 0.000 -0.066) 1.427 7.187 ( 0.793 0.000 -1.636) 1.818 7.407 ( -3.421 0.000 0.873) 3.530 7.430 ( 4.129 0.000 2.283) 4.718 7.543 ( -2.042 0.000 -0.372) 2.076 7.756 ( 1.731 0.000 1.294) 2.161 7.788 ( 3.118 0.000 -0.649) 3.185 7.936 ( 2.468 0.000 0.504) 2.519 8.012 ( 5.274 0.000 -3.369) 6.258 8.287 ( -0.137 0.000 0.489) 0.508 8.540 ( 0.499 0.000 0.076) 0.505 8.749 ( 1.618 0.000 0.212) 1.632 8.907 ( 3.586 0.000 -4.060) 5.417 8.955 ( 3.007 0.000 0.633) 3.073 9.041 ( 1.994 0.000 -1.047) 2.252 9.503 ( -0.843 0.000 -0.071) 0.846 9.523 ( -0.410 0.000 0.661) 0.778 9.564 ( 0.372 0.000 -0.048) 0.375 9.613 ( 1.964 0.000 -0.112) 1.968 9.984 ( -4.061 0.000 -1.712) 4.407 10.103 ( 0.946 0.000 1.085) 1.440 10.716 ( -2.142 0.000 0.126) 2.146 10.744 ( -2.583 0.000 -0.161) 2.588 11.090 ( -2.067 0.000 -0.712) 2.186 11.120 ( -0.392 0.000 0.492) 0.629 11.129 ( 0.111 0.000 0.628) 0.638 11.157 ( 0.363 0.000 0.985) 1.049 11.559 ( -1.242 0.000 0.222) 1.262 11.601 ( -4.709 0.000 -1.887) 5.074 11.616 ( -1.686 0.000 0.264) 1.707 11.788 ( -2.802 0.000 1.061) 2.996 11.902 ( 6.711 0.000 -1.131) 6.806 12.056 ( 2.591 0.000 0.738) 2.694 12.146 ( -0.001 0.000 -0.246) 0.246 12.201 ( 0.420 0.000 -0.064) 0.424 12.683 ( 0.098 0.000 1.286) 1.289 12.723 ( -0.909 0.000 -1.472) 1.730 13.235 ( 0.428 0.000 -0.940) 1.033 13.248 ( -0.332 0.000 0.048) 0.335 13.302 ( -0.290 0.000 0.021) 0.291 13.344 ( -0.532 0.000 1.021) 1.151 14.005 ( 3.757 0.000 0.099) 3.759 14.032 ( 1.424 0.000 0.504) 1.510 14.140 ( 4.215 0.000 -2.666) 4.987 14.184 ( 5.131 0.000 -0.423) 5.148 14.566 ( 1.160 0.000 0.625) 1.318 14.656 ( 1.850 0.000 -1.634) 2.469 14.970 ( 1.830 0.000 -0.562) 1.914 15.039 ( 1.546 0.000 -0.114) 1.550 15.130 ( -3.425 0.000 -1.715) 3.830 15.257 ( 5.943 0.000 0.380) 5.955 15.277 ( 6.453 0.000 -0.373) 6.464 15.495 ( 3.063 0.000 -3.773) 4.860 15.687 ( 1.273 0.000 1.345) 1.852 15.920 ( 12.028 0.000 -9.813) 15.523 16.318 ( 0.240 0.000 -0.110) 0.264 16.330 ( 0.394 0.000 0.042) 0.396 16.719 ( 1.502 0.000 -0.364) 1.546 16.793 ( 1.376 0.000 2.209) 2.603 17.081 ( -0.418 0.000 -0.015) 0.418 17.154 ( -0.877 0.000 0.345) 0.943 17.336 ( -2.381 0.000 1.113) 2.628 17.403 ( -1.495 0.000 -0.759) 1.677 20.263 ( 1.750 0.000 -0.910) 1.973 20.305 ( 1.313 0.000 3.190) 3.450 20.454 ( 1.757 0.000 0.509) 1.829 20.526 ( 3.922 0.000 -2.544) 4.674 21.349 ( -0.333 0.000 1.305) 1.346 21.531 ( 1.085 0.000 1.542) 1.885 21.959 ( 1.300 0.000 0.155) 1.309 22.027 ( 1.122 0.000 -0.184) 1.137 22.942 ( -9.797 0.000 -0.644) 9.818 23.162 ( -4.450 0.000 -0.158) 4.453 23.217 ( -2.614 0.000 1.052) 2.817 23.279 ( -6.244 0.000 0.089) 6.245 26.814 ( 0.629 0.000 -0.273) 0.686 26.912 ( -0.431 0.000 0.277) 0.512 28.596 ( 0.619 0.000 -1.878) 1.977 28.752 ( -3.438 0.000 3.822) 5.141 28.846 ( -3.765 0.000 -4.125) 5.585 29.306 ( 15.594 0.000 -18.180) 23.951 30.253 ( 5.775 0.000 1.056) 5.871 30.350 ( 7.528 0.000 -1.422) 7.661 31.211 ( -1.450 0.000 -3.920) 4.180 31.283 ( 7.351 0.000 1.412) 7.486 31.723 ( -1.146 0.000 3.651) 3.826 31.792 ( -0.416 0.000 -4.039) 4.061 32.313 ( -1.194 0.000 5.824) 5.946 32.372 ( -1.999 0.000 -1.710) 2.631 32.467 ( -0.019 0.000 1.855) 1.855 32.495 ( -0.605 0.000 -1.891) 1.986 32.673 ( -9.366 0.000 15.517) 18.124 32.747 ( -19.788 0.000 -11.822) 23.051 33.726 ( 0.138 0.000 -0.499) 0.518 33.785 ( -0.220 0.000 0.074) 0.232 33.873 ( -6.027 0.000 4.716) 7.653 34.231 ( -6.205 0.000 -14.739) 15.991 34.612 ( -1.632 0.000 4.276) 4.577 34.689 ( -2.952 0.000 -5.241) 6.015 35.541 ( 2.242 0.000 0.059) 2.242 35.632 ( 6.740 0.000 0.743) 6.781 35.730 ( 1.177 0.000 -0.000) 1.177 35.781 ( 1.398 0.000 0.588) 1.517 35.894 ( -2.252 0.000 1.757) 2.856 36.039 ( 1.983 0.000 -0.819) 2.146 36.263 ( -0.907 0.000 3.144) 3.272 36.329 ( -1.608 0.000 -2.367) 2.861 37.170 ( 21.168 0.000 26.332) 33.786 37.364 ( 9.879 0.000 -13.961) 17.103 38.929 ( -8.959 0.000 6.882) 11.297 39.158 ( -2.025 0.000 -6.228) 6.549 ======================= Grid point 72 (36/54) ======================= q-point: ( 0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( 12.984 0.000 -20.158) 23.978 1.118 ( -5.341 0.000 8.631) 10.150 1.705 ( 0.111 0.000 -0.856) 0.863 1.762 ( 8.872 0.000 20.132) 22.000 2.070 ( -1.913 0.000 -17.445) 17.549 2.262 ( 20.172 0.000 -13.474) 24.258 2.478 ( 1.707 0.000 16.920) 17.006 2.487 ( 1.504 0.000 13.724) 13.806 2.652 ( 19.330 0.000 -3.160) 19.586 2.736 ( 24.267 0.000 11.062) 26.669 2.745 ( -0.465 0.000 1.710) 1.772 2.829 ( -1.240 0.000 -6.131) 6.255 2.894 ( 2.249 0.000 4.160) 4.730 2.929 ( 1.863 0.000 -5.422) 5.733 3.087 ( -0.468 0.000 4.414) 4.439 3.129 ( 12.760 0.000 6.554) 14.345 3.179 ( 7.026 0.000 3.145) 7.698 3.252 ( -2.909 0.000 -2.874) 4.089 3.342 ( 8.686 0.000 6.628) 10.926 3.496 ( 23.128 0.000 -2.815) 23.299 3.516 ( 0.714 0.000 -14.088) 14.106 3.584 ( 5.194 0.000 -4.571) 6.919 3.642 ( 1.013 0.000 1.951) 2.199 3.707 ( -9.254 0.000 -4.628) 10.347 3.720 ( -1.456 0.000 -11.040) 11.135 3.882 ( -2.337 0.000 14.254) 14.444 3.987 ( -0.123 0.000 2.108) 2.111 4.161 ( 8.456 0.000 4.079) 9.389 4.312 ( 6.258 0.000 -3.039) 6.957 4.471 ( -2.282 0.000 -2.332) 3.263 4.474 ( -2.661 0.000 2.583) 3.708 4.553 ( 1.459 0.000 -6.516) 6.677 4.608 ( -0.656 0.000 7.939) 7.966 4.680 ( 1.628 0.000 -0.657) 1.756 4.696 ( 0.581 0.000 1.287) 1.412 4.993 ( -2.668 0.000 -2.673) 3.777 5.161 ( 1.907 0.000 -7.249) 7.496 5.250 ( -4.040 0.000 -0.914) 4.142 5.353 ( -1.789 0.000 -1.727) 2.486 5.410 ( -13.161 0.000 4.198) 13.814 5.564 ( 4.847 0.000 2.054) 5.265 5.626 ( 0.469 0.000 0.677) 0.823 5.911 ( -3.767 0.000 -1.016) 3.902 5.964 ( 1.725 0.000 -0.459) 1.785 6.699 ( -0.254 0.000 -1.125) 1.153 6.881 ( -0.072 0.000 1.897) 1.898 7.179 ( -0.965 0.000 -0.758) 1.227 7.315 ( -4.914 0.000 0.177) 4.917 7.457 ( -1.051 0.000 1.331) 1.696 7.493 ( -2.371 0.000 -1.390) 2.748 7.813 ( 1.946 0.000 2.889) 3.483 7.854 ( 2.666 0.000 -1.219) 2.931 7.967 ( 0.486 0.000 -0.356) 0.603 8.089 ( 2.766 0.000 -0.429) 2.799 8.300 ( 1.400 0.000 2.120) 2.541 8.546 ( -0.009 0.000 -1.300) 1.300 8.829 ( 5.016 0.000 0.375) 5.030 8.938 ( 0.451 0.000 -4.025) 4.050 9.030 ( 3.546 0.000 1.078) 3.706 9.090 ( 2.690 0.000 -1.300) 2.987 9.490 ( -0.388 0.000 0.452) 0.596 9.510 ( -0.864 0.000 0.123) 0.873 9.574 ( 0.614 0.000 -0.287) 0.678 9.638 ( 0.249 0.000 -0.300) 0.390 9.920 ( -1.508 0.000 -2.373) 2.811 10.145 ( 2.437 0.000 0.346) 2.462 10.668 ( -2.119 0.000 0.258) 2.135 10.684 ( -2.698 0.000 -0.262) 2.710 11.037 ( -2.613 0.000 -0.855) 2.750 11.109 ( -0.676 0.000 0.878) 1.108 11.141 ( 0.956 0.000 1.915) 2.140 11.176 ( 1.321 0.000 -0.474) 1.403 11.509 ( -3.824 0.000 -1.592) 4.142 11.542 ( -0.273 0.000 0.363) 0.454 11.584 ( -1.161 0.000 0.144) 1.170 11.721 ( -2.795 0.000 1.407) 3.129 12.052 ( 6.336 0.000 -1.611) 6.538 12.105 ( 1.962 0.000 0.562) 2.041 12.146 ( 0.032 0.000 -0.192) 0.195 12.204 ( -0.154 0.000 -0.097) 0.182 12.682 ( -0.231 0.000 0.395) 0.457 12.706 ( -0.568 0.000 -0.723) 0.920 13.240 ( -0.400 0.000 -0.077) 0.407 13.240 ( 0.113 0.000 -0.803) 0.811 13.295 ( -0.317 0.000 0.092) 0.330 13.324 ( -1.281 0.000 0.754) 1.486 14.060 ( 1.112 0.000 0.271) 1.145 14.085 ( 2.985 0.000 1.428) 3.309 14.195 ( 0.797 0.000 0.557) 0.972 14.269 ( 2.754 0.000 -1.173) 2.993 14.611 ( 2.695 0.000 1.089) 2.907 14.687 ( 1.442 0.000 -0.858) 1.678 15.000 ( 1.070 0.000 -1.192) 1.601 15.109 ( 2.007 0.000 -0.263) 2.024 15.139 ( 7.120 0.000 -0.125) 7.121 15.413 ( 8.169 0.000 0.737) 8.202 15.448 ( 8.961 0.000 -0.774) 8.995 15.510 ( -0.199 0.000 -2.105) 2.114 15.708 ( 0.492 0.000 1.606) 1.680 16.066 ( 2.463 0.000 -8.136) 8.501 16.323 ( 0.409 0.000 -0.035) 0.410 16.344 ( 0.700 0.000 0.350) 0.783 16.774 ( 3.066 0.000 -0.257) 3.077 16.823 ( 1.176 0.000 1.205) 1.684 17.069 ( -0.857 0.000 -0.057) 0.859 17.128 ( -1.577 0.000 0.004) 1.577 17.272 ( -3.479 0.000 0.200) 3.485 17.364 ( -2.020 0.000 -0.123) 2.024 20.307 ( 2.281 0.000 -0.818) 2.423 20.362 ( 3.784 0.000 4.278) 5.712 20.500 ( 2.340 0.000 0.640) 2.426 20.605 ( 3.230 0.000 -3.351) 4.654 21.346 ( -0.400 0.000 -0.092) 0.410 21.544 ( 0.100 0.000 2.611) 2.613 21.995 ( 1.996 0.000 0.480) 2.052 22.055 ( 1.556 0.000 -0.993) 1.846 22.738 ( -8.582 0.000 -2.822) 9.034 23.052 ( -5.462 0.000 0.306) 5.471 23.120 ( -8.135 0.000 -0.044) 8.135 23.164 ( -2.208 0.000 0.762) 2.335 26.831 ( 0.874 0.000 -0.053) 0.876 26.900 ( -0.673 0.000 0.056) 0.675 28.682 ( -3.083 0.000 2.917) 4.244 28.699 ( 7.819 0.000 2.302) 8.151 28.760 ( -3.806 0.000 -2.979) 4.833 29.392 ( -3.705 0.000 -14.140) 14.618 30.391 ( 6.441 0.000 1.744) 6.673 30.517 ( 7.488 0.000 -2.219) 7.810 31.187 ( -0.211 0.000 -1.589) 1.603 31.455 ( 7.268 0.000 0.631) 7.295 31.693 ( -2.055 0.000 5.415) 5.791 31.777 ( -0.705 0.000 -4.297) 4.355 32.175 ( -16.401 0.000 -6.823) 17.764 32.296 ( -5.186 0.000 3.305) 6.150 32.395 ( -3.483 0.000 -1.457) 3.776 32.464 ( -0.329 0.000 1.874) 1.902 32.483 ( -0.274 0.000 -1.938) 1.957 32.511 ( -8.253 0.000 5.983) 10.194 33.729 ( 0.132 0.000 -0.276) 0.306 33.769 ( -3.714 0.000 3.174) 4.886 33.779 ( -0.274 0.000 -0.045) 0.278 34.045 ( -9.175 0.000 -6.768) 11.401 34.556 ( -3.622 0.000 6.765) 7.674 34.641 ( -1.428 0.000 -9.443) 9.550 35.586 ( 1.724 0.000 -1.196) 2.098 35.760 ( 1.507 0.000 -0.070) 1.509 35.769 ( 5.557 0.000 0.869) 5.625 35.821 ( 2.246 0.000 0.918) 2.427 35.881 ( 0.430 0.000 1.861) 1.910 36.056 ( -0.011 0.000 -1.559) 1.559 36.245 ( -0.840 0.000 2.267) 2.418 36.280 ( -2.705 0.000 -2.050) 3.394 37.572 ( 14.260 0.000 7.341) 16.039 37.728 ( 23.021 0.000 9.603) 24.944 38.811 ( -2.584 0.000 4.562) 5.243 39.084 ( -4.555 0.000 -11.106) 12.003 ======================= Grid point 73 (37/54) ======================= q-point: ( 0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( -9.513 0.000 11.914) 15.246 1.076 ( 8.651 0.000 -20.219) 21.992 1.712 ( 0.292 0.000 -2.641) 2.657 1.880 ( 2.724 0.000 15.464) 15.702 2.035 ( -1.130 0.000 -12.583) 12.634 2.475 ( -1.572 0.000 23.557) 23.610 2.497 ( 2.832 0.000 -5.606) 6.281 2.536 ( 1.795 0.000 14.164) 14.277 2.721 ( -1.907 0.000 3.319) 3.827 2.817 ( -0.331 0.000 -4.964) 4.975 2.880 ( 7.982 0.000 -15.686) 17.600 2.967 ( 4.468 0.000 3.790) 5.859 2.983 ( 5.528 0.000 0.045) 5.528 3.048 ( -2.788 0.000 3.350) 4.359 3.102 ( 2.966 0.000 3.120) 4.304 3.187 ( -1.252 0.000 -4.864) 5.022 3.193 ( 2.537 0.000 3.374) 4.221 3.324 ( -0.046 0.000 7.938) 7.938 3.406 ( -3.836 0.000 -5.033) 6.328 3.565 ( -2.614 0.000 -3.393) 4.283 3.583 ( 4.592 0.000 -2.785) 5.371 3.625 ( 0.912 0.000 -7.885) 7.937 3.739 ( 6.207 0.000 0.095) 6.208 3.771 ( 3.661 0.000 -2.303) 4.325 3.834 ( 7.256 0.000 -2.131) 7.563 3.878 ( 0.939 0.000 11.557) 11.595 3.986 ( 0.087 0.000 -1.493) 1.496 4.344 ( 5.451 0.000 0.439) 5.469 4.416 ( 2.067 0.000 -1.260) 2.421 4.436 ( -0.269 0.000 3.367) 3.377 4.470 ( 3.351 0.000 0.721) 3.427 4.576 ( 0.803 0.000 -5.641) 5.698 4.593 ( -1.286 0.000 3.558) 3.783 4.714 ( 1.545 0.000 5.654) 5.862 4.760 ( 4.470 0.000 -0.590) 4.509 4.952 ( -1.140 0.000 -2.117) 2.404 5.178 ( -0.168 0.000 -7.785) 7.786 5.181 ( -7.532 0.000 0.617) 7.558 5.197 ( -1.377 0.000 -0.116) 1.381 5.311 ( -1.639 0.000 -1.831) 2.457 5.645 ( 1.000 0.000 0.510) 1.122 5.661 ( 4.194 0.000 3.781) 5.646 5.838 ( -3.437 0.000 -2.913) 4.506 5.990 ( 0.670 0.000 -0.428) 0.795 6.693 ( -0.561 0.000 -0.272) 0.624 6.866 ( -0.971 0.000 0.509) 1.096 7.180 ( 1.321 0.000 0.737) 1.513 7.231 ( -2.562 0.000 -0.142) 2.566 7.433 ( -0.784 0.000 1.464) 1.661 7.451 ( -1.434 0.000 -1.151) 1.839 7.806 ( -0.819 0.000 0.044) 0.820 7.865 ( -2.045 0.000 -1.324) 2.436 7.993 ( 1.865 0.000 0.490) 1.928 8.129 ( 0.975 0.000 0.726) 1.216 8.342 ( 2.069 0.000 2.988) 3.635 8.534 ( -0.989 0.000 -2.379) 2.577 8.878 ( -0.424 0.000 -1.541) 1.599 8.980 ( 3.118 0.000 -0.212) 3.125 9.083 ( 1.284 0.000 0.693) 1.459 9.140 ( 1.691 0.000 -0.887) 1.909 9.484 ( -0.216 0.000 0.569) 0.609 9.493 ( -0.571 0.000 -0.061) 0.575 9.586 ( 0.367 0.000 -0.445) 0.577 9.632 ( -0.401 0.000 -0.215) 0.455 9.908 ( -0.104 0.000 -2.285) 2.287 10.182 ( 0.895 0.000 0.094) 0.900 10.638 ( -0.652 0.000 0.124) 0.664 10.644 ( -1.050 0.000 -0.131) 1.058 10.994 ( -1.213 0.000 -0.698) 1.400 11.097 ( -0.308 0.000 0.803) 0.860 11.161 ( 0.616 0.000 2.353) 2.433 11.203 ( 0.993 0.000 -1.156) 1.524 11.452 ( -1.418 0.000 -1.346) 1.955 11.544 ( 0.233 0.000 0.306) 0.385 11.569 ( -0.371 0.000 0.039) 0.373 11.682 ( -0.935 0.000 1.299) 1.601 12.123 ( 0.526 0.000 -0.165) 0.551 12.149 ( 0.221 0.000 -0.261) 0.342 12.150 ( 2.204 0.000 -0.567) 2.275 12.197 ( -0.334 0.000 -0.040) 0.336 12.675 ( -0.468 0.000 0.543) 0.717 12.699 ( 0.033 0.000 -0.843) 0.843 13.232 ( -0.242 0.000 -0.249) 0.347 13.240 ( -0.110 0.000 -0.452) 0.465 13.292 ( 0.034 0.000 0.229) 0.231 13.303 ( -0.606 0.000 0.362) 0.706 14.085 ( 1.787 0.000 0.621) 1.892 14.136 ( 1.634 0.000 1.477) 2.202 14.170 ( -2.404 0.000 -0.392) 2.436 14.297 ( 0.285 0.000 -1.137) 1.172 14.661 ( 1.922 0.000 1.324) 2.334 14.706 ( 0.153 0.000 -0.607) 0.626 15.018 ( 0.651 0.000 -1.164) 1.333 15.143 ( 1.159 0.000 -0.461) 1.247 15.312 ( 6.752 0.000 2.271) 7.124 15.504 ( -0.296 0.000 -2.032) 2.054 15.548 ( 3.724 0.000 0.813) 3.811 15.597 ( 4.307 0.000 -0.863) 4.392 15.703 ( -0.825 0.000 0.944) 1.254 16.060 ( -1.685 0.000 -3.224) 3.638 16.334 ( 0.504 0.000 0.279) 0.576 16.354 ( 0.255 0.000 0.058) 0.262 16.819 ( 1.139 0.000 0.341) 1.189 16.843 ( 0.530 0.000 0.286) 0.602 17.047 ( -1.038 0.000 -0.108) 1.044 17.099 ( -0.862 0.000 -0.189) 0.883 17.212 ( -1.805 0.000 -0.320) 1.833 17.330 ( -1.032 0.000 0.340) 1.086 20.344 ( 1.077 0.000 -0.767) 1.323 20.453 ( 4.227 0.000 5.589) 7.007 20.539 ( 1.108 0.000 0.681) 1.301 20.630 ( -0.981 0.000 -4.398) 4.506 21.333 ( -0.626 0.000 -0.097) 0.633 21.547 ( 0.335 0.000 1.410) 1.449 22.030 ( 1.041 0.000 0.550) 1.177 22.082 ( 0.735 0.000 -1.077) 1.304 22.612 ( -3.236 0.000 -2.870) 4.325 22.966 ( -2.235 0.000 0.396) 2.270 22.985 ( -3.981 0.000 -0.107) 3.983 23.134 ( -0.633 0.000 0.241) 0.678 26.846 ( 0.487 0.000 -0.076) 0.493 26.888 ( -0.414 0.000 0.088) 0.423 28.640 ( -0.944 0.000 2.296) 2.482 28.700 ( -1.595 0.000 -2.335) 2.828 28.875 ( 8.272 0.000 6.903) 10.774 29.240 ( -8.790 0.000 -10.515) 13.704 30.492 ( 2.769 0.000 1.870) 3.342 30.625 ( 2.690 0.000 -2.189) 3.468 31.229 ( 4.702 0.000 1.594) 4.965 31.480 ( -6.302 0.000 -0.280) 6.308 31.642 ( -2.776 0.000 7.215) 7.731 31.761 ( -0.526 0.000 -4.253) 4.285 31.929 ( -3.686 0.000 -6.559) 7.524 32.209 ( -2.071 0.000 2.980) 3.629 32.379 ( 0.479 0.000 -0.336) 0.585 32.406 ( -2.368 0.000 -0.106) 2.371 32.457 ( -0.469 0.000 1.731) 1.794 32.483 ( 0.269 0.000 -1.828) 1.848 33.730 ( 0.008 0.000 0.084) 0.085 33.739 ( 0.743 0.000 3.058) 3.147 33.775 ( -0.089 0.000 -0.275) 0.289 33.883 ( -5.642 0.000 -4.669) 7.323 34.496 ( -2.269 0.000 6.485) 6.871 34.617 ( -0.174 0.000 -8.560) 8.562 35.608 ( 0.542 0.000 -1.577) 1.667 35.784 ( 0.658 0.000 -0.119) 0.669 35.843 ( 1.373 0.000 2.326) 2.701 35.864 ( 1.470 0.000 1.054) 1.809 35.904 ( 1.667 0.000 -0.589) 1.768 36.047 ( -0.554 0.000 -1.336) 1.446 36.226 ( -2.056 0.000 -0.692) 2.169 36.238 ( 0.069 0.000 0.524) 0.529 37.774 ( 3.672 0.000 6.700) 7.640 38.162 ( 16.437 0.000 15.916) 22.880 38.801 ( 0.036 0.000 -3.496) 3.497 38.958 ( -6.130 0.000 -12.547) 13.964 ======================= Grid point 74 (38/54) ======================= q-point: (-0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( -10.492 0.000 12.607) 16.402 1.226 ( 5.964 0.000 -15.169) 16.299 1.694 ( -2.072 0.000 -2.086) 2.940 1.928 ( 1.435 0.000 9.376) 9.485 1.998 ( -1.182 0.000 -8.785) 8.864 2.361 ( -10.868 0.000 25.242) 27.482 2.488 ( -3.822 0.000 -1.802) 4.225 2.561 ( -0.137 0.000 15.243) 15.244 2.674 ( -2.624 0.000 1.752) 3.155 2.796 ( -1.150 0.000 -2.346) 2.613 2.957 ( -9.214 0.000 0.987) 9.267 2.981 ( 0.450 0.000 -12.597) 12.605 3.041 ( 1.965 0.000 5.392) 5.739 3.072 ( 4.702 0.000 -0.544) 4.733 3.135 ( 2.190 0.000 -3.329) 3.984 3.173 ( -0.408 0.000 -7.176) 7.187 3.212 ( 1.771 0.000 0.429) 1.822 3.319 ( -2.334 0.000 1.305) 2.674 3.319 ( -0.609 0.000 8.820) 8.841 3.538 ( -1.973 0.000 0.480) 2.030 3.604 ( -0.704 0.000 -5.089) 5.138 3.616 ( -2.127 0.000 -6.375) 6.721 3.742 ( -7.731 0.000 -1.309) 7.841 3.795 ( -2.084 0.000 -0.333) 2.110 3.851 ( -4.515 0.000 -6.958) 8.294 3.945 ( 4.985 0.000 4.181) 6.506 3.958 ( -1.516 0.000 1.065) 1.852 4.338 ( -8.680 0.000 3.742) 9.452 4.368 ( -2.458 0.000 -1.432) 2.845 4.478 ( 3.441 0.000 0.209) 3.447 4.511 ( -1.706 0.000 -1.616) 2.350 4.567 ( -1.461 0.000 -4.082) 4.335 4.595 ( 1.859 0.000 0.846) 2.043 4.755 ( 1.557 0.000 7.958) 8.109 4.773 ( -3.337 0.000 -2.050) 3.917 4.926 ( -1.624 0.000 -2.814) 3.249 5.125 ( 2.157 0.000 3.054) 3.739 5.141 ( -2.694 0.000 -5.677) 6.284 5.239 ( 5.743 0.000 -1.210) 5.869 5.298 ( 0.583 0.000 -0.368) 0.689 5.659 ( 0.254 0.000 -0.648) 0.696 5.719 ( -1.391 0.000 -0.659) 1.539 5.779 ( 0.607 0.000 1.532) 1.648 5.988 ( -0.773 0.000 -0.252) 0.813 6.669 ( -1.456 0.000 1.957) 2.439 6.879 ( 2.179 0.000 -0.617) 2.264 7.207 ( 0.482 0.000 -1.994) 2.052 7.228 ( 2.324 0.000 0.128) 2.327 7.435 ( 0.978 0.000 1.506) 1.795 7.436 ( 0.077 0.000 0.278) 0.289 7.815 ( 0.810 0.000 -0.769) 1.117 7.843 ( 1.946 0.000 0.852) 2.125 7.993 ( -2.334 0.000 0.276) 2.351 8.126 ( -1.346 0.000 1.031) 1.695 8.367 ( -0.222 0.000 1.130) 1.152 8.514 ( -0.468 0.000 -0.936) 1.046 8.860 ( -0.850 0.000 0.126) 0.860 8.992 ( -2.552 0.000 -1.353) 2.889 9.081 ( -1.379 0.000 0.791) 1.590 9.142 ( -1.549 0.000 -1.042) 1.867 9.490 ( 0.233 0.000 0.294) 0.375 9.490 ( 0.784 0.000 0.044) 0.785 9.587 ( -0.240 0.000 -0.544) 0.594 9.630 ( 0.192 0.000 -0.095) 0.214 9.899 ( -0.575 0.000 -1.482) 1.590 10.181 ( -0.913 0.000 0.212) 0.937 10.641 ( 0.900 0.000 -0.173) 0.917 10.642 ( 0.839 0.000 0.135) 0.850 10.991 ( 0.998 0.000 -0.419) 1.083 11.101 ( 0.656 0.000 0.377) 0.757 11.165 ( -0.254 0.000 2.066) 2.082 11.204 ( -0.913 0.000 -1.400) 1.672 11.451 ( 1.350 0.000 -1.192) 1.801 11.547 ( 0.012 0.000 0.017) 0.021 11.567 ( 0.214 0.000 0.236) 0.319 11.685 ( 1.151 0.000 1.001) 1.525 12.108 ( -2.085 0.000 0.926) 2.281 12.151 ( -0.010 0.000 -0.486) 0.486 12.157 ( -1.338 0.000 -0.902) 1.613 12.195 ( 0.149 0.000 0.183) 0.236 12.666 ( -0.428 0.000 0.998) 1.086 12.707 ( 0.671 0.000 -1.078) 1.270 13.233 ( 0.317 0.000 -0.290) 0.430 13.236 ( -0.163 0.000 -0.110) 0.197 13.293 ( 0.045 0.000 0.093) 0.103 13.305 ( 0.817 0.000 0.088) 0.822 14.104 ( -1.461 0.000 -1.246) 1.920 14.150 ( -0.478 0.000 0.344) 0.589 14.159 ( 3.007 0.000 0.760) 3.101 14.285 ( -1.375 0.000 -0.103) 1.379 14.686 ( -0.378 0.000 -0.589) 0.700 14.692 ( -0.778 0.000 0.377) 0.865 15.019 ( -0.522 0.000 -1.309) 1.409 15.144 ( -1.032 0.000 -0.616) 1.202 15.348 ( -4.625 0.000 -0.761) 4.687 15.476 ( -1.658 0.000 0.150) 1.665 15.545 ( -4.007 0.000 0.980) 4.126 15.599 ( -4.058 0.000 -0.985) 4.175 15.712 ( 1.804 0.000 0.138) 1.809 16.009 ( -3.354 0.000 1.696) 3.759 16.338 ( -0.209 0.000 -0.167) 0.267 16.354 ( -0.157 0.000 0.074) 0.173 16.822 ( -1.122 0.000 0.074) 1.125 16.842 ( -0.375 0.000 0.346) 0.510 17.038 ( 0.498 0.000 0.777) 0.923 17.099 ( 0.686 0.000 -0.124) 0.697 17.211 ( 1.759 0.000 -0.249) 1.776 17.328 ( 0.847 0.000 0.507) 0.987 20.344 ( -1.005 0.000 -0.796) 1.283 20.512 ( -0.099 0.000 4.556) 4.557 20.540 ( -1.060 0.000 0.591) 1.213 20.570 ( -3.270 0.000 -3.289) 4.638 21.330 ( 0.558 0.000 0.172) 0.584 21.567 ( 1.458 0.000 -0.505) 1.543 22.034 ( -0.631 0.000 0.343) 0.718 22.072 ( -1.636 0.000 -0.331) 1.669 22.602 ( 2.446 0.000 -1.921) 3.110 22.972 ( 2.572 0.000 -0.248) 2.584 22.982 ( 3.947 0.000 0.206) 3.952 23.139 ( 1.084 0.000 -0.294) 1.123 26.849 ( -0.253 0.000 -0.337) 0.421 26.885 ( 0.176 0.000 0.352) 0.393 28.647 ( 1.441 0.000 2.190) 2.621 28.695 ( 1.212 0.000 -2.340) 2.635 29.029 ( -1.338 0.000 -0.202) 1.354 29.046 ( -2.291 0.000 0.291) 2.309 30.498 ( -2.345 0.000 1.528) 2.799 30.618 ( -3.300 0.000 -1.647) 3.688 31.263 ( -5.473 0.000 -1.798) 5.761 31.442 ( 7.304 0.000 3.307) 8.018 31.598 ( -0.571 0.000 10.028) 10.044 31.754 ( 0.254 0.000 -2.861) 2.872 31.883 ( -1.922 0.000 -1.410) 2.383 32.267 ( 5.820 0.000 -2.257) 6.242 32.377 ( -0.657 0.000 0.121) 0.668 32.438 ( 6.734 0.000 -3.615) 7.643 32.449 ( -0.306 0.000 1.649) 1.677 32.490 ( 0.524 0.000 -1.756) 1.832 33.729 ( -0.137 0.000 0.207) 0.249 33.776 ( 0.165 0.000 -0.336) 0.374 33.799 ( 4.288 0.000 3.122) 5.304 33.819 ( 0.295 0.000 -4.442) 4.451 34.474 ( -0.249 0.000 6.377) 6.382 34.633 ( 2.242 0.000 -7.843) 8.157 35.608 ( -0.375 0.000 -1.510) 1.556 35.783 ( -0.672 0.000 -0.078) 0.676 35.840 ( -1.505 0.000 1.908) 2.430 35.869 ( -1.097 0.000 0.549) 1.227 35.933 ( 0.743 0.000 -2.919) 3.013 36.036 ( -0.284 0.000 -0.131) 0.313 36.206 ( 0.326 0.000 0.946) 1.001 36.253 ( 1.343 0.000 -0.735) 1.531 37.705 ( -10.660 0.000 12.136) 16.154 38.350 ( -2.592 0.000 3.664) 4.488 38.730 ( -2.361 0.000 -1.464) 2.778 38.922 ( 2.487 0.000 -8.931) 9.270 ======================= Grid point 75 (39/54) ======================= q-point: (-0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.507 ( -12.858 0.000 12.516) 17.944 1.263 ( -2.445 0.000 -5.134) 5.687 1.643 ( -1.838 0.000 2.917) 3.448 1.898 ( -9.179 0.000 4.426) 10.190 2.023 ( 4.632 0.000 -11.297) 12.210 2.066 ( -17.534 0.000 15.047) 23.105 2.286 ( -15.851 0.000 13.112) 20.571 2.560 ( -0.804 0.000 12.756) 12.781 2.631 ( -1.095 0.000 2.948) 3.145 2.682 ( -19.386 0.000 0.329) 19.389 2.774 ( -0.598 0.000 -0.241) 0.644 2.814 ( -12.879 0.000 5.288) 13.922 3.052 ( -2.185 0.000 -8.994) 9.255 3.112 ( -1.472 0.000 7.055) 7.207 3.160 ( -13.180 0.000 -13.040) 18.541 3.196 ( 1.788 0.000 0.581) 1.880 3.199 ( 1.530 0.000 -6.039) 6.229 3.291 ( -10.603 0.000 -3.779) 11.256 3.308 ( 0.946 0.000 5.698) 5.776 3.379 ( -8.912 0.000 2.799) 9.341 3.476 ( -1.208 0.000 -6.939) 7.043 3.523 ( -9.377 0.000 3.701) 10.081 3.657 ( 5.570 0.000 -1.435) 5.752 3.671 ( -8.606 0.000 -11.098) 14.044 3.751 ( -0.621 0.000 -6.955) 6.983 3.983 ( 2.868 0.000 2.926) 4.097 4.063 ( 5.702 0.000 -3.034) 6.459 4.148 ( -8.764 0.000 8.058) 11.905 4.263 ( -5.457 0.000 -3.935) 6.728 4.487 ( 1.374 0.000 -0.797) 1.588 4.504 ( -3.487 0.000 -1.875) 3.959 4.527 ( 0.458 0.000 -1.873) 1.928 4.643 ( 1.145 0.000 -0.438) 1.226 4.704 ( -1.892 0.000 -3.359) 3.855 4.782 ( 0.855 0.000 2.924) 3.047 4.891 ( -0.659 0.000 2.051) 2.154 5.088 ( -1.599 0.000 -1.482) 2.180 5.201 ( 4.291 0.000 3.221) 5.365 5.330 ( 2.205 0.000 0.589) 2.283 5.441 ( 12.924 0.000 1.444) 13.005 5.623 ( -5.062 0.000 -3.428) 6.114 5.657 ( -0.124 0.000 -2.133) 2.136 5.856 ( 4.668 0.000 4.557) 6.524 5.963 ( -1.457 0.000 -0.409) 1.513 6.654 ( 0.003 0.000 3.045) 3.045 6.919 ( 0.823 0.000 -1.495) 1.707 7.196 ( -0.837 0.000 -2.733) 2.858 7.310 ( 4.872 0.000 0.645) 4.915 7.458 ( 1.935 0.000 1.901) 2.713 7.468 ( 1.788 0.000 0.443) 1.842 7.821 ( -0.778 0.000 1.192) 1.423 7.901 ( -1.872 0.000 -5.341) 5.660 7.929 ( 0.367 0.000 3.432) 3.452 8.071 ( -4.108 0.000 1.712) 4.451 8.339 ( -1.792 0.000 -1.421) 2.287 8.519 ( 0.729 0.000 1.093) 1.313 8.838 ( -2.227 0.000 0.381) 2.259 8.892 ( -5.099 0.000 -0.681) 5.145 9.036 ( -2.813 0.000 0.774) 2.917 9.085 ( -3.377 0.000 -1.096) 3.551 9.502 ( 0.213 0.000 -0.666) 0.699 9.503 ( 0.986 0.000 0.720) 1.221 9.577 ( -0.545 0.000 -0.437) 0.699 9.633 ( -0.272 0.000 0.237) 0.360 9.898 ( 1.052 0.000 -0.247) 1.081 10.150 ( -1.894 0.000 -0.034) 1.895 10.673 ( 2.151 0.000 -0.255) 2.167 10.679 ( 2.664 0.000 0.171) 2.670 11.030 ( 2.478 0.000 -0.095) 2.480 11.118 ( 0.776 0.000 -0.141) 0.789 11.161 ( 0.022 0.000 1.181) 1.181 11.170 ( -1.949 0.000 -1.143) 2.260 11.504 ( 3.683 0.000 -1.012) 3.820 11.549 ( 0.355 0.000 -0.279) 0.451 11.581 ( 1.249 0.000 0.406) 1.314 11.728 ( 2.878 0.000 0.604) 2.941 12.030 ( -5.546 0.000 0.545) 5.573 12.108 ( -2.928 0.000 0.099) 2.930 12.151 ( 0.057 0.000 -0.699) 0.701 12.200 ( 0.128 0.000 0.343) 0.366 12.661 ( -0.074 0.000 1.515) 1.517 12.723 ( 0.885 0.000 -1.420) 1.673 13.233 ( -0.187 0.000 -0.052) 0.194 13.243 ( 0.539 0.000 -0.283) 0.609 13.295 ( 0.187 0.000 0.010) 0.187 13.331 ( 1.422 0.000 0.108) 1.426 14.075 ( -1.093 0.000 -1.125) 1.568 14.114 ( -2.883 0.000 -1.279) 3.154 14.220 ( 0.925 0.000 -1.790) 2.015 14.241 ( -3.010 0.000 1.459) 3.344 14.638 ( -3.061 0.000 -1.761) 3.532 14.676 ( -1.798 0.000 0.351) 1.832 14.999 ( -1.231 0.000 -1.275) 1.772 15.107 ( -2.362 0.000 -0.438) 2.402 15.158 ( -10.107 0.000 -2.342) 10.375 15.408 ( -8.260 0.000 1.016) 8.322 15.453 ( -8.850 0.000 -0.994) 8.906 15.458 ( -1.079 0.000 3.432) 3.598 15.736 ( -0.097 0.000 -1.166) 1.170 15.913 ( -6.251 0.000 7.170) 9.512 16.326 ( -0.783 0.000 -0.282) 0.832 16.350 ( -0.260 0.000 -0.299) 0.397 16.771 ( -3.291 0.000 0.111) 3.293 16.838 ( -0.080 0.000 -0.269) 0.280 17.065 ( 1.544 0.000 0.287) 1.570 17.122 ( 1.507 0.000 0.555) 1.606 17.270 ( 3.464 0.000 0.336) 3.480 17.360 ( 1.977 0.000 0.249) 1.992 20.308 ( -2.232 0.000 -0.873) 2.397 20.437 ( -4.744 0.000 -2.455) 5.341 20.502 ( -2.358 0.000 0.445) 2.399 20.529 ( -2.235 0.000 3.408) 4.075 21.355 ( 1.616 0.000 -0.853) 1.827 21.590 ( 0.374 0.000 -2.003) 2.038 22.006 ( -2.047 0.000 -0.619) 2.138 22.032 ( -1.577 0.000 1.232) 2.001 22.715 ( 8.689 0.000 -0.567) 8.707 23.063 ( 5.479 0.000 -0.746) 5.529 23.117 ( 8.167 0.000 0.320) 8.174 23.175 ( 2.260 0.000 -0.443) 2.303 26.837 ( -0.801 0.000 -0.633) 1.021 26.894 ( 0.597 0.000 0.644) 0.878 28.698 ( 3.111 0.000 2.780) 4.173 28.747 ( 3.839 0.000 -3.118) 4.946 28.797 ( -12.463 0.000 -8.994) 15.369 29.126 ( 0.224 0.000 13.687) 13.689 30.404 ( -6.318 0.000 0.877) 6.378 30.498 ( -7.686 0.000 -0.854) 7.733 31.177 ( -2.051 0.000 -0.355) 2.081 31.430 ( -5.698 0.000 2.424) 6.192 31.711 ( 3.192 0.000 3.257) 4.560 31.771 ( 0.801 0.000 -2.739) 2.854 31.969 ( 14.138 0.000 11.162) 18.013 32.347 ( 1.923 0.000 -1.702) 2.568 32.376 ( 1.290 0.000 0.818) 1.528 32.448 ( 0.081 0.000 1.713) 1.715 32.501 ( 0.542 0.000 -1.817) 1.896 32.694 ( 16.562 0.000 -10.220) 19.461 33.726 ( -0.158 0.000 0.026) 0.160 33.780 ( 0.281 0.000 -0.183) 0.336 33.870 ( 5.752 0.000 -7.595) 9.527 33.925 ( 5.962 0.000 5.686) 8.238 34.490 ( 1.443 0.000 6.215) 6.380 34.696 ( 4.041 0.000 -7.665) 8.665 35.593 ( -0.962 0.000 -1.866) 2.099 35.760 ( -1.437 0.000 -0.087) 1.439 35.780 ( -4.500 0.000 -0.478) 4.525 35.829 ( -2.401 0.000 0.163) 2.406 35.926 ( -0.917 0.000 -2.857) 3.001 36.038 ( 0.257 0.000 0.538) 0.596 36.231 ( 1.582 0.000 2.601) 3.044 36.289 ( 2.020 0.000 -1.814) 2.715 37.382 ( -20.002 0.000 18.037) 26.933 38.061 ( -20.058 0.000 -16.395) 25.906 38.815 ( 7.597 0.000 13.357) 15.366 38.979 ( 3.390 0.000 -8.765) 9.397 ======================= Grid point 76 (40/54) ======================= q-point: (-0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.223 ( -14.065 0.000 9.624) 17.042 1.161 ( -5.151 0.000 3.599) 6.284 1.363 ( -36.636 0.000 15.373) 39.731 1.642 ( -29.503 0.000 -12.121) 31.896 1.646 ( 1.426 0.000 9.176) 9.287 1.981 ( -11.507 0.000 31.739) 33.760 2.138 ( 5.677 0.000 -17.113) 18.030 2.186 ( -20.323 0.000 0.140) 20.323 2.538 ( -1.580 0.000 8.826) 8.966 2.554 ( -27.294 0.000 1.185) 27.320 2.634 ( -13.872 0.000 7.493) 15.766 2.653 ( 2.970 0.000 8.336) 8.849 2.775 ( 0.336 0.000 0.065) 0.342 2.908 ( -13.235 0.000 -7.690) 15.307 2.947 ( -6.226 0.000 -2.657) 6.769 3.069 ( -1.870 0.000 -4.138) 4.541 3.193 ( -1.708 0.000 13.013) 13.125 3.221 ( -3.634 0.000 -7.636) 8.457 3.339 ( 0.160 0.000 -1.340) 1.349 3.346 ( 1.919 0.000 -20.273) 20.363 3.459 ( 0.374 0.000 2.027) 2.061 3.497 ( 2.809 0.000 -15.072) 15.331 3.603 ( -3.046 0.000 1.510) 3.400 3.709 ( -1.208 0.000 -7.997) 8.088 3.790 ( 6.071 0.000 4.546) 7.584 4.031 ( -1.590 0.000 9.357) 9.491 4.055 ( 3.182 0.000 2.053) 3.787 4.152 ( 2.489 0.000 -8.661) 9.012 4.172 ( -3.454 0.000 0.339) 3.470 4.458 ( -0.034 0.000 -3.902) 3.902 4.503 ( -1.442 0.000 -0.783) 1.641 4.569 ( 4.598 0.000 0.538) 4.629 4.616 ( -2.711 0.000 0.432) 2.745 4.683 ( -0.422 0.000 -2.978) 3.008 4.800 ( -0.003 0.000 4.699) 4.699 4.918 ( 2.577 0.000 2.255) 3.424 5.083 ( 1.127 0.000 -0.147) 1.137 5.304 ( 5.111 0.000 4.908) 7.086 5.370 ( 1.183 0.000 0.096) 1.187 5.487 ( -4.496 0.000 -2.277) 5.040 5.658 ( 0.326 0.000 -2.558) 2.578 5.796 ( 15.325 0.000 -2.943) 15.605 5.931 ( -1.494 0.000 -0.930) 1.760 5.974 ( 7.894 0.000 4.643) 9.158 6.670 ( 1.208 0.000 3.159) 3.382 6.907 ( -1.068 0.000 -1.550) 1.882 7.180 ( -0.630 0.000 -0.934) 1.127 7.402 ( 3.458 0.000 1.223) 3.668 7.476 ( -2.836 0.000 -2.409) 3.721 7.513 ( 2.914 0.000 2.514) 3.848 7.766 ( -2.762 0.000 0.632) 2.834 7.812 ( -6.426 0.000 -4.198) 7.676 7.910 ( -2.790 0.000 2.531) 3.767 7.980 ( -4.114 0.000 0.755) 4.182 8.310 ( -0.879 0.000 -1.611) 1.836 8.534 ( 0.387 0.000 0.655) 0.761 8.760 ( -2.057 0.000 -1.114) 2.339 8.840 ( -2.103 0.000 3.262) 3.882 8.967 ( -3.433 0.000 -0.350) 3.451 9.028 ( -1.707 0.000 0.005) 1.707 9.507 ( 0.515 0.000 -0.464) 0.694 9.523 ( 0.612 0.000 0.493) 0.786 9.569 ( -0.224 0.000 -0.340) 0.407 9.610 ( -1.794 0.000 0.190) 1.804 9.959 ( 4.651 0.000 0.897) 4.737 10.118 ( -0.837 0.000 -0.385) 0.921 10.720 ( 1.982 0.000 -0.273) 2.001 10.740 ( 2.706 0.000 0.222) 2.715 11.082 ( 2.216 0.000 0.104) 2.218 11.128 ( 0.147 0.000 -0.373) 0.400 11.136 ( -1.051 0.000 -0.295) 1.092 11.172 ( 0.773 0.000 -0.472) 0.905 11.564 ( 1.012 0.000 -0.253) 1.043 11.591 ( 4.398 0.000 -0.817) 4.473 11.617 ( 1.849 0.000 0.136) 1.854 11.796 ( 2.706 0.000 0.302) 2.722 11.896 ( -6.029 0.000 -0.501) 6.050 12.050 ( -2.520 0.000 1.406) 2.886 12.150 ( -0.114 0.000 -0.682) 0.692 12.198 ( -0.310 0.000 0.271) 0.411 12.665 ( 0.401 0.000 1.997) 2.037 12.738 ( 0.540 0.000 -1.918) 1.993 13.228 ( -0.235 0.000 -0.202) 0.310 13.252 ( 0.355 0.000 -0.343) 0.493 13.301 ( 0.294 0.000 0.076) 0.304 13.353 ( 0.503 0.000 0.064) 0.507 14.028 ( -4.807 0.000 -2.276) 5.318 14.049 ( -2.368 0.000 -1.280) 2.691 14.120 ( -8.298 0.000 -1.394) 8.414 14.162 ( -4.360 0.000 1.712) 4.684 14.583 ( -1.378 0.000 -0.976) 1.689 14.631 ( -2.104 0.000 1.003) 2.331 14.973 ( -1.428 0.000 -0.788) 1.631 15.037 ( -0.396 0.000 0.991) 1.067 15.085 ( 1.398 0.000 1.966) 2.413 15.252 ( -5.877 0.000 0.657) 5.913 15.282 ( -6.500 0.000 -0.642) 6.532 15.405 ( -4.875 0.000 5.925) 7.673 15.702 ( -2.877 0.000 0.022) 2.877 15.787 ( -4.713 0.000 4.563) 6.560 16.312 ( -0.418 0.000 0.204) 0.465 16.342 ( -0.455 0.000 -0.951) 1.054 16.713 ( -1.792 0.000 0.344) 1.824 16.828 ( -1.092 0.000 -1.423) 1.794 17.086 ( 0.494 0.000 -0.619) 0.792 17.154 ( 1.186 0.000 0.347) 1.236 17.335 ( 2.336 0.000 1.262) 2.655 17.400 ( 1.656 0.000 -0.513) 1.734 20.263 ( -1.714 0.000 -0.946) 1.958 20.353 ( -3.178 0.000 -0.797) 3.276 20.456 ( -1.840 0.000 0.363) 1.875 20.480 ( -2.005 0.000 1.223) 2.348 21.384 ( 0.952 0.000 -2.355) 2.540 21.563 ( -2.864 0.000 -1.949) 3.464 21.964 ( -1.598 0.000 -0.432) 1.656 22.013 ( -0.510 0.000 1.236) 1.338 22.939 ( 11.239 0.000 -0.301) 11.243 23.169 ( 4.179 0.000 -0.870) 4.269 23.225 ( 2.297 0.000 0.166) 2.303 23.277 ( 6.330 0.000 0.287) 6.336 26.819 ( -0.754 0.000 -0.737) 1.054 26.907 ( 0.558 0.000 0.749) 0.934 28.576 ( -4.878 0.000 -0.341) 4.890 28.766 ( 2.784 0.000 3.751) 4.671 28.836 ( 4.370 0.000 -4.318) 6.144 29.024 ( -10.762 0.000 12.680) 16.632 30.266 ( -6.171 0.000 0.134) 6.172 30.333 ( -6.988 0.000 -0.034) 6.988 31.163 ( 0.249 0.000 1.469) 1.490 31.316 ( -4.470 0.000 -2.476) 5.110 31.733 ( 0.164 0.000 2.040) 2.046 31.785 ( 0.911 0.000 -2.560) 2.717 32.265 ( 6.801 0.000 12.418) 14.158 32.374 ( 1.742 0.000 -1.568) 2.343 32.454 ( 0.383 0.000 1.853) 1.892 32.490 ( 11.216 0.000 8.781) 14.245 32.508 ( 0.234 0.000 -1.939) 1.953 33.012 ( 12.293 0.000 -15.240) 19.580 33.723 ( -0.033 0.000 -0.239) 0.241 33.786 ( 0.182 0.000 -0.031) 0.185 34.014 ( 2.000 0.000 7.382) 7.648 34.038 ( 9.812 0.000 -12.543) 15.925 34.546 ( 3.586 0.000 5.298) 6.398 34.768 ( 2.511 0.000 -7.357) 7.774 35.561 ( -2.100 0.000 -2.086) 2.959 35.654 ( -7.022 0.000 -1.744) 7.235 35.731 ( -1.177 0.000 -0.118) 1.183 35.785 ( -1.635 0.000 0.231) 1.651 35.917 ( 0.862 0.000 -0.855) 1.214 36.036 ( -0.876 0.000 -0.317) 0.932 36.262 ( 1.013 0.000 3.338) 3.489 36.327 ( 1.607 0.000 -2.260) 2.773 36.983 ( -16.906 0.000 25.514) 30.607 37.629 ( -18.518 0.000 -22.268) 28.962 39.006 ( 8.668 0.000 10.706) 13.775 39.062 ( 5.316 0.000 -7.107) 8.875 ======================= Grid point 77 (41/54) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.910 ( -2.389 8.623 18.362) 20.426 1.022 ( 2.521 39.792 3.478) 40.023 1.173 ( 2.570 4.893 -7.470) 9.292 1.401 ( -1.702 16.148 -7.863) 18.042 1.817 ( 3.065 6.522 -0.384) 7.217 1.861 ( 2.790 -1.791 6.772) 7.540 1.916 ( -6.559 -6.907 1.577) 9.655 2.108 ( 2.594 -4.265 -9.098) 10.378 2.260 ( 0.264 12.247 18.663) 22.324 2.501 ( -1.250 -0.764 -0.518) 1.554 2.602 ( -2.551 -2.198 4.844) 5.899 2.676 ( 0.906 10.926 16.175) 19.540 2.813 ( -0.849 3.505 2.308) 4.282 2.858 ( 3.489 5.071 8.052) 10.135 3.010 ( 1.057 4.772 -2.970) 5.719 3.103 ( -2.954 6.723 -8.924) 11.557 3.156 ( -0.939 3.979 3.933) 5.673 3.223 ( -0.112 4.741 -1.482) 4.968 3.300 ( -0.245 -1.526 0.777) 1.730 3.352 ( -2.174 -1.856 -5.330) 6.048 3.451 ( 1.910 -3.217 -3.396) 5.053 3.529 ( -2.507 3.398 -14.466) 15.070 3.645 ( 1.264 5.444 0.720) 5.635 3.708 ( 1.582 -1.965 -5.260) 5.834 3.751 ( -0.514 -6.346 -1.525) 6.547 3.916 ( -0.387 -4.409 -1.330) 4.621 3.985 ( -1.169 -3.592 10.117) 10.799 4.144 ( 1.565 2.195 -2.868) 3.936 4.349 ( 0.310 -6.784 -0.632) 6.821 4.409 ( -1.204 8.263 -0.037) 8.350 4.501 ( 0.315 1.966 -0.414) 2.034 4.595 ( 0.253 -0.267 2.438) 2.466 4.665 ( 0.242 0.061 4.581) 4.588 4.734 ( -3.699 0.161 0.121) 3.705 4.778 ( 1.531 7.310 -2.422) 7.851 4.983 ( 2.126 -3.047 -7.383) 8.265 5.091 ( 0.674 -2.506 -0.406) 2.627 5.312 ( 1.428 -5.112 3.488) 6.351 5.394 ( -0.846 -2.365 -0.907) 2.670 5.407 ( -1.033 -1.195 -2.753) 3.174 5.674 ( -0.851 -1.121 2.435) 2.813 5.768 ( 1.999 -9.820 -0.682) 10.044 5.837 ( -2.589 -3.455 -2.831) 5.163 6.064 ( -0.049 -1.523 1.456) 2.108 6.697 ( 0.510 0.792 1.293) 1.600 6.830 ( -0.066 -5.442 -0.440) 5.461 7.124 ( -0.454 -3.267 -1.058) 3.464 7.317 ( -0.189 -4.684 1.115) 4.819 7.491 ( -0.035 4.288 0.890) 4.379 7.563 ( 0.382 -0.396 0.579) 0.798 7.681 ( 0.920 -2.374 2.263) 3.406 7.718 ( 0.005 -2.447 -1.573) 2.908 7.821 ( 1.483 -2.862 0.025) 3.224 7.875 ( -0.298 -3.575 0.314) 3.601 8.241 ( -0.447 -7.871 -0.801) 7.925 8.502 ( 1.259 -10.729 0.855) 10.836 8.803 ( -1.071 5.870 0.287) 5.974 8.814 ( 0.724 7.721 -0.538) 7.773 8.983 ( 0.385 4.362 0.350) 4.393 9.060 ( -0.255 3.187 -1.187) 3.410 9.427 ( 0.257 -8.029 1.012) 8.097 9.487 ( -0.090 -6.294 -0.575) 6.321 9.598 ( -0.088 6.511 -0.225) 6.515 9.643 ( -0.166 5.576 0.018) 5.579 9.998 ( 0.579 -1.955 -0.363) 2.071 10.052 ( -0.746 -3.981 0.394) 4.069 10.749 ( 0.219 -8.678 -0.215) 8.683 10.759 ( -0.451 -7.808 -0.439) 7.833 10.990 ( 0.131 -0.209 0.067) 0.256 11.112 ( -0.386 1.313 0.033) 1.369 11.209 ( 0.108 7.214 0.139) 7.216 11.221 ( -0.185 8.275 -0.416) 8.288 11.615 ( 4.211 -5.526 -0.373) 6.958 11.626 ( -4.517 -6.314 -1.553) 7.917 11.773 ( 0.478 11.362 -0.336) 11.377 11.808 ( -0.455 7.591 -0.465) 7.618 11.886 ( 0.744 4.803 0.696) 4.910 11.949 ( -0.667 -4.067 1.048) 4.253 12.241 ( -1.205 2.302 0.744) 2.703 12.252 ( 0.849 3.107 -0.500) 3.259 12.954 ( 0.122 21.771 0.371) 21.775 13.076 ( -0.439 25.878 1.282) 25.913 13.356 ( -0.424 9.569 0.310) 9.583 13.374 ( 0.096 7.744 -0.519) 7.762 13.481 ( 0.637 16.191 0.903) 16.229 13.575 ( -3.363 22.953 -9.714) 25.150 13.945 ( 0.666 -2.023 0.170) 2.137 13.977 ( 0.558 -1.771 -1.332) 2.285 14.056 ( 1.261 0.952 -1.249) 2.014 14.140 ( 0.256 1.642 0.996) 1.938 14.422 ( -0.190 -10.883 -0.135) 10.885 14.464 ( 0.296 -10.967 -0.476) 10.982 14.820 ( -0.477 -14.006 0.177) 14.015 14.896 ( -0.384 -5.436 -0.868) 5.518 15.051 ( 1.513 -19.936 0.861) 20.012 15.101 ( 3.733 -11.470 0.760) 12.086 15.434 ( 0.154 13.126 0.218) 13.129 15.467 ( 0.170 15.718 0.309) 15.722 15.580 ( 1.137 -3.687 -1.081) 4.007 15.669 ( 0.383 -5.791 0.161) 5.806 16.285 ( 0.159 -2.217 0.557) 2.292 16.300 ( -0.193 -2.770 -0.984) 2.946 16.561 ( 0.716 -12.457 1.182) 12.534 16.639 ( -1.719 -13.575 -1.102) 13.727 17.105 ( -0.199 1.886 -0.419) 1.942 17.174 ( 0.058 1.237 0.469) 1.324 17.368 ( 0.325 0.281 0.548) 0.696 17.408 ( -0.083 -1.257 -0.915) 1.557 20.277 ( -0.643 0.953 0.488) 1.249 20.346 ( -0.422 3.920 1.120) 4.098 20.384 ( 0.726 -1.393 -1.286) 2.030 20.523 ( 0.446 2.105 -0.227) 2.164 21.373 ( -0.825 0.486 0.022) 0.958 21.506 ( -0.290 -0.481 -0.003) 0.561 21.888 ( 0.073 -4.746 -0.239) 4.752 21.967 ( 0.146 -4.012 0.492) 4.045 23.104 ( 0.040 4.222 -0.091) 4.224 23.257 ( -0.216 0.648 0.672) 0.959 23.313 ( -0.240 6.608 -0.798) 6.661 23.389 ( 0.044 3.200 0.249) 3.210 27.019 ( 0.069 16.122 0.909) 16.148 27.160 ( -1.461 19.237 -5.292) 20.006 28.235 ( -0.962 -21.436 1.080) 21.485 28.420 ( 3.626 -20.736 -0.799) 21.066 29.261 ( -7.247 21.756 2.055) 23.023 29.306 ( 10.717 21.642 -1.482) 24.196 30.279 ( -2.142 2.841 4.737) 5.924 30.420 ( 6.278 5.770 -11.309) 14.163 31.306 ( -0.390 11.404 -2.142) 11.610 31.366 ( -1.144 15.566 -2.684) 15.837 31.763 ( -0.078 2.665 2.231) 3.476 31.803 ( 0.136 0.858 -2.064) 2.240 32.185 ( -0.389 -8.042 1.390) 8.171 32.272 ( 0.282 -7.024 -1.340) 7.157 32.385 ( 4.333 -8.837 13.649) 16.827 32.606 ( -2.100 2.770 -7.017) 7.831 32.894 ( 0.076 13.712 8.333) 16.046 33.122 ( -1.642 8.040 -13.346) 15.667 33.691 ( -2.039 -6.327 5.340) 8.527 33.826 ( -0.087 5.148 -7.518) 9.112 34.043 ( -1.485 4.574 2.183) 5.281 34.195 ( 5.858 -2.141 -15.213) 16.442 34.551 ( 1.464 -5.796 4.541) 7.507 34.684 ( -2.769 -7.011 -5.538) 9.354 35.525 ( -0.899 -0.099 0.055) 0.906 35.542 ( -0.725 -0.411 0.095) 0.839 35.736 ( -0.091 1.546 0.208) 1.562 35.789 ( -0.082 1.455 0.862) 1.694 35.970 ( 0.520 0.992 0.011) 1.120 35.996 ( -1.132 1.148 0.090) 1.615 36.240 ( 0.794 -2.630 3.706) 4.613 36.311 ( -0.580 -3.091 -2.138) 3.802 36.964 ( 3.157 10.406 29.306) 31.258 37.439 ( -5.918 9.072 -19.253) 22.091 38.666 ( -1.535 -32.908 18.336) 37.702 38.912 ( 2.439 -21.336 -9.364) 23.427 ======================= Grid point 78 (42/54) ======================= q-point: ( 0.14 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.088 ( 4.449 31.856 -1.845) 32.218 1.313 ( 11.290 12.328 3.961) 17.179 1.499 ( 26.863 13.487 9.310) 31.467 1.682 ( 26.868 3.822 -10.605) 29.137 1.968 ( 12.349 17.068 -2.242) 21.186 2.027 ( 13.357 -2.482 -1.276) 13.646 2.174 ( 14.792 -2.159 0.105) 14.950 2.249 ( 15.638 0.315 9.349) 18.223 2.353 ( 6.993 -0.180 8.122) 10.719 2.502 ( 2.392 -3.302 2.857) 4.978 2.600 ( 3.659 -6.897 7.804) 11.039 2.756 ( 7.010 7.414 8.888) 13.531 2.807 ( 1.696 3.332 4.540) 5.881 2.936 ( 2.381 3.325 9.314) 10.173 2.997 ( -3.004 4.444 -8.812) 10.317 3.081 ( 2.624 4.258 -1.253) 5.156 3.166 ( 1.807 4.424 -4.776) 6.756 3.228 ( 2.739 7.021 8.476) 11.342 3.300 ( 2.356 4.108 -3.662) 5.986 3.347 ( -1.355 0.419 -0.155) 1.426 3.426 ( -2.642 -2.541 -11.028) 11.622 3.527 ( 2.752 1.266 -3.809) 4.867 3.674 ( -1.273 -5.116 -2.113) 5.680 3.709 ( 1.792 -2.321 -3.821) 4.816 3.759 ( 0.676 -2.764 -2.821) 4.007 3.879 ( -2.591 0.172 -2.380) 3.522 3.982 ( 1.250 -0.205 8.538) 8.632 4.143 ( -1.151 3.613 -0.348) 3.808 4.319 ( -2.106 -6.917 -3.292) 7.945 4.371 ( -1.703 2.331 0.811) 2.998 4.501 ( -0.331 4.075 0.248) 4.096 4.577 ( -2.033 -1.371 3.291) 4.104 4.645 ( -3.786 -2.384 2.415) 5.084 4.715 ( 2.638 3.652 0.092) 4.506 4.796 ( -0.221 7.489 -2.602) 7.931 4.969 ( -2.304 -7.114 -6.886) 10.166 5.084 ( -1.055 -3.389 -1.280) 3.773 5.304 ( -1.102 -3.464 -0.684) 3.698 5.391 ( -0.293 -0.514 -0.370) 0.698 5.449 ( 4.675 -2.098 0.983) 5.217 5.637 ( -4.911 -1.801 4.230) 6.727 5.682 ( -6.011 0.301 -2.219) 6.415 5.821 ( 1.474 -4.599 0.493) 4.855 6.032 ( -2.362 0.889 1.024) 2.724 6.698 ( -0.462 0.079 0.041) 0.470 6.826 ( -0.123 -4.464 0.443) 4.487 7.121 ( -0.278 -4.529 -0.586) 4.575 7.355 ( 2.096 -6.708 1.387) 7.164 7.459 ( -2.962 4.241 0.506) 5.198 7.552 ( -1.148 0.335 -0.249) 1.222 7.713 ( 2.093 -3.533 1.978) 4.558 7.757 ( 3.553 -0.776 -2.036) 4.168 7.884 ( 1.744 -3.681 -1.152) 4.233 7.905 ( 3.423 -5.891 -0.919) 6.875 8.251 ( 1.482 -6.687 0.210) 6.852 8.533 ( 1.685 -8.836 -1.761) 9.166 8.801 ( 1.970 7.263 0.373) 7.535 8.885 ( 3.971 4.835 -0.621) 6.288 9.016 ( 2.691 4.795 -0.356) 5.509 9.086 ( 2.672 3.292 -0.556) 4.276 9.430 ( -0.114 -7.617 0.356) 7.626 9.491 ( 0.358 -5.996 -0.395) 6.020 9.594 ( -0.065 7.393 0.065) 7.394 9.668 ( 1.998 4.991 0.287) 5.384 9.953 ( -3.920 -1.575 -1.646) 4.534 10.031 ( -0.624 -5.053 1.734) 5.379 10.718 ( -2.775 -8.606 -0.873) 9.084 10.731 ( -1.861 -7.109 0.598) 7.373 10.996 ( 0.350 -1.026 0.026) 1.084 11.099 ( -0.646 1.664 0.803) 1.958 11.184 ( -2.896 7.617 -0.583) 8.170 11.200 ( -0.937 6.534 0.393) 6.612 11.536 ( -4.074 -4.880 -1.268) 6.482 11.682 ( 0.779 -6.217 0.843) 6.322 11.757 ( -1.907 11.613 -0.578) 11.783 11.791 ( -3.110 10.999 0.117) 11.431 11.853 ( 2.949 -2.298 -0.286) 3.750 12.003 ( 2.888 -2.032 0.880) 3.639 12.220 ( -0.546 1.682 0.884) 1.977 12.264 ( 0.230 3.284 -0.411) 3.318 12.941 ( -1.270 21.158 0.093) 21.196 13.034 ( -3.211 25.208 1.272) 25.443 13.344 ( -0.468 8.542 0.670) 8.581 13.377 ( 0.044 8.934 -0.238) 8.937 13.463 ( -2.118 17.220 -1.542) 17.418 13.530 ( -0.272 17.878 -1.128) 17.915 13.981 ( 0.841 -3.392 -0.191) 3.499 13.996 ( 4.925 -0.747 0.237) 4.987 14.105 ( 1.657 -2.232 -1.879) 3.355 14.227 ( 5.325 1.578 -0.136) 5.556 14.440 ( 1.662 -10.315 0.361) 10.455 14.480 ( 0.930 -12.644 -0.828) 12.705 14.855 ( 4.199 -12.612 0.538) 13.304 14.922 ( 2.729 -5.200 -0.642) 5.907 15.000 ( -1.544 -13.458 -1.749) 13.658 15.276 ( 7.132 -8.852 -3.997) 12.050 15.493 ( 5.363 13.279 -0.256) 14.324 15.530 ( 3.654 9.295 1.259) 10.067 15.607 ( 0.815 -3.033 0.452) 3.173 15.743 ( 7.186 -12.198 -6.298) 15.494 16.292 ( 0.476 -2.653 0.438) 2.731 16.297 ( 0.048 -2.505 -0.706) 2.603 16.592 ( 2.263 -11.327 -0.616) 11.567 16.639 ( 1.591 -13.834 2.196) 14.097 17.097 ( -0.558 1.799 0.028) 1.884 17.166 ( -0.934 1.258 0.239) 1.585 17.350 ( -2.037 0.764 -0.093) 2.178 17.391 ( -1.407 -1.231 -0.543) 1.947 20.280 ( 1.047 0.780 1.262) 1.816 20.356 ( 1.185 3.912 0.751) 4.156 20.418 ( 2.469 -1.338 -0.589) 2.870 20.559 ( 2.855 1.493 -1.130) 3.414 21.359 ( -0.495 1.049 0.267) 1.191 21.503 ( -0.345 -2.031 0.952) 2.270 21.902 ( 1.207 -4.405 -0.344) 4.580 21.981 ( 1.323 -3.998 -0.002) 4.212 23.028 ( -6.833 7.041 -0.598) 9.830 23.215 ( -4.182 2.187 0.976) 4.819 23.236 ( -4.902 3.657 -0.051) 6.116 23.317 ( -6.558 2.800 0.125) 7.132 27.004 ( -1.256 15.678 0.403) 15.733 27.106 ( -2.770 16.245 -1.010) 16.510 28.211 ( -0.814 -20.580 1.890) 20.683 28.432 ( -2.220 -24.405 -4.570) 24.928 29.167 ( -0.672 23.251 0.423) 23.264 29.620 ( 14.209 17.344 -6.194) 23.261 30.299 ( 3.478 -0.349 2.577) 4.343 30.563 ( 5.973 11.288 -14.914) 19.635 31.296 ( 0.609 8.207 -0.052) 8.230 31.346 ( -0.440 11.583 0.084) 11.592 31.752 ( -1.075 2.760 2.676) 3.992 31.797 ( -0.461 0.666 -2.212) 2.356 32.164 ( -1.775 -9.270 2.256) 9.704 32.240 ( -2.687 -7.833 -1.019) 8.343 32.397 ( -3.537 -8.886 9.557) 13.521 32.477 ( -11.159 -5.200 -7.777) 14.562 32.836 ( -4.893 12.995 5.159) 14.813 32.956 ( -9.969 18.335 -6.779) 21.943 33.637 ( -3.117 -8.762 4.820) 10.475 33.806 ( -1.059 4.172 -5.185) 6.739 33.991 ( -3.057 7.417 0.365) 8.030 34.184 ( -6.124 -3.310 -11.501) 13.444 34.546 ( -1.575 -6.046 3.617) 7.220 34.617 ( -2.607 -6.529 -4.860) 8.546 35.547 ( 2.757 0.625 0.071) 2.827 35.621 ( 6.395 -0.896 0.697) 6.495 35.748 ( 1.151 1.425 0.332) 1.862 35.800 ( 1.006 1.111 1.011) 1.808 35.910 ( -2.085 1.883 1.161) 3.040 36.037 ( 1.320 -0.097 -0.671) 1.484 36.255 ( 0.097 -0.805 2.683) 2.803 36.298 ( -0.632 -2.595 -1.659) 3.144 37.239 ( 19.158 6.689 27.136) 33.884 37.463 ( 8.821 8.800 -11.472) 16.936 38.639 ( -0.933 -23.253 12.669) 26.497 38.938 ( 0.670 -19.311 -10.789) 22.131 ======================= Grid point 79 (43/54) ======================= q-point: ( 0.29 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.198 ( 5.812 23.713 -6.856) 25.359 1.375 ( -1.296 19.708 1.961) 19.848 1.858 ( 8.074 22.319 2.244) 23.840 2.008 ( 5.771 7.971 -1.242) 9.918 2.168 ( 2.570 15.442 6.172) 16.827 2.363 ( 9.503 2.437 1.294) 9.895 2.425 ( 11.753 1.625 0.845) 11.895 2.521 ( 3.898 -1.464 13.125) 13.770 2.610 ( 8.997 -2.450 -2.176) 9.575 2.650 ( 24.531 -4.223 10.892) 27.171 2.735 ( 1.118 -2.022 -2.551) 3.442 2.845 ( 3.357 -2.337 4.426) 6.027 2.917 ( 4.330 3.015 1.126) 5.395 2.991 ( 5.526 -1.369 6.184) 8.406 3.064 ( 0.873 -0.469 -1.797) 2.052 3.085 ( 3.415 -3.723 1.951) 5.416 3.245 ( 1.129 -1.237 -0.480) 1.743 3.262 ( 3.658 -0.367 -3.550) 5.111 3.299 ( -0.119 4.460 -0.475) 4.487 3.420 ( 0.625 1.643 -4.975) 5.277 3.515 ( 12.287 -0.907 -3.009) 12.683 3.582 ( 3.846 0.671 -1.928) 4.354 3.628 ( 1.027 -4.637 -4.473) 6.524 3.751 ( 0.987 1.857 1.566) 2.622 3.766 ( 1.698 1.037 -3.340) 3.888 3.845 ( -0.012 5.554 -2.564) 6.118 4.052 ( 3.638 3.174 6.713) 8.269 4.165 ( 5.398 0.331 2.854) 6.115 4.290 ( 0.331 -3.680 -6.086) 7.119 4.360 ( 0.629 -7.982 -2.649) 8.433 4.481 ( -0.981 6.945 2.078) 7.315 4.555 ( -1.519 -2.828 6.679) 7.410 4.596 ( 0.842 -2.481 -2.135) 3.379 4.706 ( -3.290 -0.346 -4.554) 5.629 4.785 ( -0.596 4.040 -0.576) 4.125 4.917 ( -2.346 -4.009 -3.302) 5.700 5.075 ( 0.787 -2.008 0.051) 2.157 5.284 ( -0.938 -1.851 -3.416) 3.997 5.376 ( -1.792 0.682 -0.388) 1.956 5.458 ( -7.234 4.227 1.101) 8.451 5.559 ( 4.855 -0.566 1.695) 5.173 5.660 ( 0.989 2.485 1.144) 2.909 5.843 ( 0.164 -3.650 0.483) 3.686 5.983 ( -2.200 0.560 -0.892) 2.439 6.681 ( -0.985 -0.923 -0.782) 1.560 6.827 ( -0.138 -4.045 1.597) 4.351 7.109 ( -0.418 -4.466 0.776) 4.552 7.360 ( -1.550 -8.322 0.838) 8.507 7.379 ( -4.075 5.027 0.558) 6.495 7.530 ( -1.035 2.348 -1.374) 2.911 7.769 ( 1.672 -3.842 1.770) 4.549 7.828 ( 3.270 -1.218 -1.285) 3.718 7.885 ( -1.151 -5.180 -1.823) 5.611 7.970 ( 2.701 -6.720 0.406) 7.254 8.301 ( 3.255 -3.686 1.950) 5.290 8.570 ( 1.763 -6.031 -2.530) 6.774 8.862 ( 2.859 4.767 -0.231) 5.564 8.940 ( 1.846 5.522 -1.640) 6.049 9.093 ( 4.072 5.395 0.575) 6.784 9.152 ( 3.206 4.479 -0.818) 5.568 9.420 ( -0.789 -7.086 -0.177) 7.131 9.494 ( -0.139 -5.544 -0.496) 5.568 9.599 ( 0.487 8.046 0.485) 8.075 9.705 ( 1.135 5.880 0.271) 5.994 9.876 ( -2.662 -2.618 -2.480) 4.482 10.043 ( 1.478 -7.026 1.610) 7.359 10.658 ( -2.350 -7.698 -1.088) 8.121 10.703 ( -0.615 -4.182 1.098) 4.367 11.000 ( 0.057 -3.237 0.707) 3.313 11.089 ( -0.527 0.687 0.793) 1.174 11.120 ( -2.733 5.852 -1.158) 6.562 11.178 ( -1.100 4.811 0.379) 4.950 11.454 ( -3.557 -4.269 -1.126) 5.670 11.640 ( -3.175 -6.150 1.048) 7.000 11.724 ( -0.822 11.907 0.756) 11.959 11.755 ( -0.836 11.700 0.034) 11.730 11.954 ( 5.197 -5.307 -0.954) 7.489 12.048 ( 1.506 -3.114 0.220) 3.466 12.219 ( 0.279 1.710 0.571) 1.824 12.260 ( -0.530 3.062 -0.668) 3.179 12.910 ( -1.417 19.889 -0.307) 19.942 12.970 ( -2.594 22.264 0.695) 22.426 13.339 ( -0.252 8.881 0.673) 8.910 13.374 ( -0.212 8.883 -0.051) 8.885 13.426 ( -1.136 14.966 -1.542) 15.088 13.516 ( -1.143 16.908 -0.690) 16.961 14.006 ( 1.267 -4.512 0.046) 4.687 14.081 ( 2.101 0.660 0.512) 2.261 14.145 ( 2.310 -4.713 0.879) 5.322 14.292 ( 0.064 0.216 1.330) 1.349 14.484 ( 2.828 -10.537 0.262) 10.913 14.519 ( 2.907 -12.468 -0.026) 12.802 14.956 ( 1.476 -6.613 -2.042) 7.076 14.998 ( 7.283 -8.646 1.229) 11.371 15.037 ( 5.177 -7.839 -0.370) 9.402 15.373 ( 2.573 -6.902 -3.538) 8.172 15.594 ( 2.046 -2.956 1.529) 3.907 15.628 ( 4.430 8.405 -0.321) 9.506 15.646 ( 6.330 11.868 1.676) 13.555 15.852 ( 2.385 -15.595 -6.616) 17.108 16.302 ( 0.399 -3.201 0.053) 3.227 16.305 ( 0.786 -2.595 -0.064) 2.712 16.656 ( 3.468 -10.644 -0.656) 11.214 16.681 ( 1.917 -12.940 1.809) 13.206 17.080 ( -1.089 1.430 0.031) 1.798 17.135 ( -1.859 0.948 0.047) 2.088 17.293 ( -3.151 1.366 -0.536) 3.476 17.356 ( -1.821 -0.928 -0.035) 2.044 20.319 ( 2.387 0.865 0.896) 2.693 20.396 ( 2.556 2.230 1.887) 3.881 20.475 ( 2.735 -0.742 0.170) 2.839 20.622 ( 2.772 0.638 -2.298) 3.657 21.342 ( -1.330 -0.203 -0.762) 1.547 21.489 ( -0.933 -4.433 1.765) 4.862 21.934 ( 1.913 -4.076 0.040) 4.502 22.018 ( 1.952 -3.266 -0.783) 3.885 22.866 ( -7.423 9.965 -1.614) 12.531 23.095 ( -5.606 3.537 0.414) 6.642 23.145 ( -7.823 1.775 -0.043) 8.022 23.175 ( -2.991 0.979 0.565) 3.197 26.983 ( -0.652 13.362 0.174) 13.379 27.054 ( -2.082 13.626 -0.002) 13.785 28.205 ( -0.126 -22.152 2.858) 22.336 28.364 ( -3.327 -25.042 -3.826) 25.550 29.218 ( 4.852 25.485 2.735) 26.087 29.770 ( 0.136 22.837 -8.482) 24.362 30.392 ( 4.763 -2.485 2.607) 5.971 30.632 ( 2.643 8.956 -9.018) 12.981 31.293 ( -1.458 10.275 1.168) 10.443 31.405 ( 5.182 -1.786 0.791) 5.538 31.723 ( -1.996 2.900 4.201) 5.481 31.785 ( -0.558 0.917 -2.038) 2.303 32.055 ( -12.149 -10.037 -5.762) 16.779 32.185 ( -2.092 -8.989 0.180) 9.231 32.204 ( -7.114 -7.298 -4.095) 10.984 32.297 ( -6.257 -10.199 8.388) 14.613 32.751 ( -2.937 13.786 1.392) 14.164 32.810 ( -3.998 20.030 -1.980) 20.521 33.584 ( -1.874 -9.763 3.927) 10.688 33.772 ( -2.114 -0.110 -4.926) 5.361 33.933 ( -2.378 7.700 -0.830) 8.101 34.022 ( -7.086 0.563 -2.872) 7.667 34.495 ( -3.277 -5.636 5.742) 8.688 34.572 ( -1.483 -6.398 -8.590) 10.813 35.602 ( 2.088 1.527 -1.114) 2.816 35.748 ( 4.947 -1.502 0.672) 5.214 35.778 ( 1.599 1.214 0.297) 2.029 35.831 ( 1.834 0.406 1.427) 2.359 35.897 ( 0.382 1.835 1.006) 2.127 36.043 ( -0.390 -1.129 -1.331) 1.788 36.250 ( -0.454 0.352 1.909) 1.993 36.273 ( -1.699 -0.586 -1.335) 2.239 37.631 ( 14.179 5.367 11.807) 19.216 37.773 ( 20.033 4.317 8.086) 22.030 38.661 ( 2.363 -12.426 4.166) 13.318 38.928 ( -1.243 -13.793 -13.196) 19.129 ======================= Grid point 80 (44/54) ======================= q-point: ( 0.43 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.296 ( 2.191 18.142 -8.253) 20.051 1.313 ( -1.483 26.156 -2.422) 26.310 1.966 ( 2.857 24.060 -0.678) 24.239 2.064 ( 0.457 12.384 7.288) 14.376 2.213 ( 1.343 15.223 5.205) 16.144 2.407 ( 0.243 -0.776 10.798) 10.828 2.561 ( -0.022 2.524 16.658) 16.848 2.654 ( 2.583 -2.707 5.865) 6.957 2.683 ( 0.096 8.417 -7.673) 11.389 2.737 ( 2.207 -3.312 1.133) 4.138 2.890 ( 3.683 -5.995 2.623) 7.509 2.960 ( 1.064 1.129 -4.325) 4.595 3.012 ( 1.297 -2.275 3.868) 4.671 3.037 ( 4.172 0.417 1.388) 4.416 3.090 ( 1.615 -4.312 0.668) 4.653 3.181 ( -0.621 3.403 -7.611) 8.360 3.215 ( 5.932 -7.009 4.381) 10.174 3.292 ( -0.156 -5.440 -1.963) 5.785 3.316 ( -4.498 0.750 -1.448) 4.785 3.439 ( 1.901 -4.647 -6.082) 7.887 3.546 ( -0.284 -2.440 1.272) 2.766 3.653 ( 0.339 5.398 -0.858) 5.476 3.750 ( 2.016 -1.569 -7.134) 7.578 3.810 ( 6.593 1.430 0.069) 6.747 3.854 ( 1.820 0.766 -3.065) 3.646 3.867 ( 2.996 4.108 2.829) 5.819 4.094 ( 1.263 3.667 5.779) 6.959 4.302 ( 0.941 -4.996 -5.563) 7.536 4.358 ( 7.947 0.004 0.433) 7.959 4.394 ( 1.779 -5.991 -0.826) 6.303 4.477 ( -1.314 2.729 2.167) 3.724 4.518 ( -0.581 -0.385 5.076) 5.124 4.628 ( -1.097 -8.599 -7.532) 11.483 4.679 ( 3.612 -0.945 -0.457) 3.761 4.765 ( -0.132 -0.512 -0.950) 1.087 4.864 ( -2.836 0.081 -2.998) 4.128 5.106 ( 1.631 -0.304 2.190) 2.748 5.227 ( -4.201 -0.281 -1.481) 4.463 5.335 ( -0.145 5.698 0.086) 5.701 5.390 ( -1.122 6.576 -2.391) 7.086 5.647 ( 2.941 0.204 1.934) 3.526 5.701 ( 2.706 2.824 2.086) 4.433 5.818 ( -2.541 -2.023 -1.108) 3.432 5.944 ( -1.366 -3.155 -1.238) 3.654 6.660 ( -1.010 -2.002 -0.089) 2.244 6.819 ( -0.301 -3.576 0.840) 3.686 7.122 ( 1.474 -3.579 1.556) 4.172 7.306 ( -1.624 1.198 0.481) 2.074 7.330 ( -1.734 -3.455 0.780) 3.943 7.506 ( -0.960 3.179 -1.315) 3.572 7.766 ( -0.971 -3.936 -0.825) 4.138 7.840 ( -1.666 -2.120 -1.303) 2.995 7.900 ( 2.108 -4.954 0.524) 5.409 8.009 ( 0.917 -6.377 0.647) 6.475 8.371 ( 2.684 -1.797 2.902) 4.342 8.589 ( 0.077 -3.494 -2.542) 4.322 8.884 ( -0.307 3.114 -1.383) 3.421 8.990 ( 2.296 4.762 0.037) 5.287 9.159 ( 1.903 6.295 0.871) 6.633 9.201 ( 1.221 4.649 -1.298) 4.979 9.405 ( -0.554 -6.678 -0.069) 6.702 9.486 ( -0.476 -4.878 -0.670) 4.947 9.611 ( 0.492 7.885 0.412) 7.911 9.712 ( -0.163 7.299 0.061) 7.301 9.845 ( -0.617 -4.696 -2.063) 5.166 10.073 ( 0.998 -7.494 0.924) 7.617 10.627 ( -0.654 -7.041 -0.739) 7.110 10.703 ( 0.285 -0.023 0.675) 0.733 11.004 ( 0.331 -5.441 1.496) 5.653 11.063 ( -1.393 3.400 -0.515) 3.710 11.093 ( -0.232 0.262 -0.085) 0.360 11.161 ( -0.430 3.157 -0.142) 3.190 11.400 ( -1.394 -3.908 -1.049) 4.280 11.594 ( -1.156 -6.580 1.111) 6.772 11.717 ( 0.027 11.596 1.094) 11.648 11.743 ( -0.403 12.220 -0.478) 12.236 12.034 ( 2.094 -6.743 -0.595) 7.086 12.067 ( 0.335 -4.060 0.042) 4.074 12.227 ( 0.345 2.181 0.236) 2.221 12.247 ( -0.547 2.714 -0.714) 2.859 12.888 ( -0.638 18.926 -0.111) 18.937 12.934 ( -0.878 20.505 0.392) 20.527 13.330 ( -0.453 9.278 0.295) 9.293 13.368 ( -0.359 8.835 -0.569) 8.861 13.421 ( 0.556 13.779 -0.116) 13.791 13.489 ( -1.142 15.669 -1.034) 15.745 14.028 ( 0.790 -4.797 0.098) 4.863 14.111 ( 0.941 0.525 0.274) 1.112 14.183 ( 1.606 -3.967 1.640) 4.583 14.258 ( -2.329 -1.924 -0.224) 3.029 14.535 ( 1.513 -10.291 0.252) 10.405 14.572 ( 1.544 -10.422 0.468) 10.546 14.977 ( 0.686 -4.863 -0.971) 5.006 15.082 ( 1.730 -7.061 -1.513) 7.426 15.197 ( 6.797 -8.536 3.352) 11.414 15.393 ( -0.215 -6.874 -2.877) 7.455 15.609 ( 0.126 -7.125 1.586) 7.301 15.715 ( 2.946 8.625 0.838) 9.153 15.763 ( 2.459 12.641 -1.539) 12.969 15.854 ( -0.559 -13.253 -2.487) 13.496 16.309 ( 0.170 -3.678 0.198) 3.687 16.320 ( 0.491 -2.668 0.045) 2.713 16.706 ( 1.148 -10.493 0.689) 10.578 16.718 ( 1.322 -11.113 0.005) 11.191 17.055 ( -1.046 1.307 0.012) 1.674 17.101 ( -1.038 0.579 0.021) 1.188 17.238 ( -1.685 1.802 -0.571) 2.532 17.325 ( -0.897 -0.684 0.248) 1.155 20.361 ( 1.268 1.290 -0.045) 1.809 20.454 ( 2.423 -0.612 3.204) 4.063 20.522 ( 1.633 0.193 0.946) 1.897 20.648 ( -0.492 0.640 -3.139) 3.241 21.311 ( -1.168 -1.532 -0.523) 1.996 21.477 ( -0.006 -5.841 0.838) 5.901 21.976 ( 1.813 -3.774 0.713) 4.247 22.043 ( 0.150 -2.208 -1.549) 2.701 22.758 ( -2.531 10.476 -1.380) 10.865 23.001 ( -4.173 1.873 -0.338) 4.586 23.014 ( -2.340 3.408 0.344) 4.148 23.142 ( -0.714 0.652 0.411) 1.050 26.976 ( -0.046 11.850 0.029) 11.850 27.024 ( -0.797 12.305 0.029) 12.331 28.208 ( 0.359 -23.814 3.031) 24.009 28.307 ( -1.792 -24.693 -3.121) 24.954 29.346 ( 6.796 26.949 6.001) 28.433 29.667 ( -7.628 27.352 -8.549) 29.655 30.488 ( 3.809 -2.373 4.147) 6.110 30.666 ( 0.203 2.422 -5.660) 6.160 31.287 ( 1.739 6.360 2.307) 6.985 31.432 ( -3.977 -2.489 -0.840) 4.766 31.672 ( -3.089 2.657 6.583) 7.742 31.771 ( -0.536 1.268 -2.959) 3.263 31.856 ( -2.918 -6.593 -6.264) 9.551 32.115 ( -2.323 -8.491 3.199) 9.366 32.170 ( 0.785 -9.960 -0.315) 9.996 32.217 ( -1.802 -9.810 -0.506) 9.987 32.719 ( -0.333 14.080 1.073) 14.124 32.758 ( -1.446 17.744 -1.481) 17.864 33.575 ( 0.939 -9.657 3.805) 10.422 33.712 ( -2.950 -5.834 -5.376) 8.464 33.894 ( -1.325 6.871 -0.835) 7.048 33.929 ( -1.727 6.614 -0.012) 6.836 34.439 ( -2.050 -5.180 5.514) 7.838 34.547 ( -0.238 -6.477 -7.917) 10.232 35.629 ( 0.623 1.949 -1.357) 2.455 35.802 ( 0.801 1.541 0.255) 1.755 35.817 ( 1.295 -2.154 1.407) 2.881 35.868 ( 1.411 0.051 1.524) 2.078 35.914 ( 1.067 1.001 -0.661) 1.605 36.029 ( -0.700 -1.575 -1.244) 2.126 36.236 ( -1.531 0.850 -0.647) 1.866 36.247 ( 0.206 0.759 0.772) 1.103 37.827 ( 3.529 5.016 8.115) 10.172 38.162 ( 14.813 -0.176 17.143) 22.657 38.712 ( 0.978 -7.412 -5.831) 9.481 38.862 ( -3.731 -8.451 -12.892) 15.860 ======================= Grid point 81 (45/54) ======================= q-point: (-0.43 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.237 ( -3.151 34.897 -3.571) 35.221 1.395 ( 5.168 13.066 -10.139) 17.327 1.957 ( -3.672 18.689 -1.546) 19.109 2.063 ( -1.341 19.120 8.065) 20.795 2.218 ( -0.641 12.575 6.535) 14.186 2.392 ( -3.160 2.041 15.287) 15.743 2.526 ( -4.349 9.902 13.477) 17.280 2.594 ( -4.188 -3.984 -0.516) 5.803 2.679 ( -3.940 3.357 -0.408) 5.192 2.755 ( -0.280 -4.478 7.185) 8.471 2.930 ( -0.679 -4.961 -3.618) 6.178 2.963 ( -0.850 -3.749 7.325) 8.272 3.026 ( -2.558 0.470 1.977) 3.267 3.068 ( 1.906 0.137 -0.350) 1.943 3.108 ( -2.970 -3.655 -7.431) 8.798 3.124 ( -1.698 -2.004 -5.198) 5.824 3.248 ( -0.513 -2.744 2.058) 3.468 3.271 ( -0.830 -3.191 -1.214) 3.514 3.313 ( 2.561 0.829 -3.504) 4.419 3.453 ( -0.097 -5.421 -6.240) 8.266 3.545 ( -0.008 -2.785 5.639) 6.289 3.635 ( -3.558 3.938 0.663) 5.349 3.712 ( -5.880 -2.289 -6.163) 8.821 3.851 ( -2.349 1.704 -2.905) 4.106 3.860 ( 0.157 0.436 -4.015) 4.042 3.920 ( 1.591 4.768 -1.796) 5.337 4.118 ( 0.802 3.919 3.024) 5.015 4.252 ( -7.276 -5.262 0.417) 8.989 4.352 ( -2.725 -2.965 0.863) 4.118 4.383 ( -5.977 -2.738 -1.983) 6.867 4.480 ( -1.674 -4.345 4.131) 6.225 4.527 ( 4.375 1.279 -0.000) 4.558 4.641 ( 1.875 -4.690 -5.643) 7.574 4.716 ( -0.353 0.551 -3.242) 3.307 4.783 ( -1.004 -3.692 -3.670) 5.302 4.828 ( 2.189 0.905 0.147) 2.374 5.131 ( -0.533 2.511 0.366) 2.593 5.174 ( 0.564 -3.260 2.960) 4.440 5.347 ( 0.712 8.841 -0.032) 8.870 5.370 ( -0.094 4.731 -1.504) 4.965 5.672 ( -0.528 0.691 -0.808) 1.186 5.744 ( -3.907 1.134 -1.938) 4.506 5.771 ( 3.426 -0.168 3.653) 5.011 5.931 ( 0.168 -4.119 0.065) 4.123 6.645 ( -0.278 -1.335 1.283) 1.873 6.830 ( 1.244 -3.618 -0.145) 3.828 7.153 ( 1.007 -3.181 -1.503) 3.660 7.307 ( 0.251 -7.638 0.987) 7.706 7.321 ( 2.418 5.265 1.240) 5.925 7.494 ( -0.141 2.894 -0.190) 2.904 7.761 ( 0.745 -4.481 -0.455) 4.565 7.826 ( 0.588 -2.001 0.120) 2.089 7.907 ( -1.696 -4.592 -0.214) 4.900 8.010 ( -0.878 -6.013 0.642) 6.111 8.393 ( -0.998 -2.042 1.261) 2.600 8.575 ( -1.197 -3.024 -1.607) 3.628 8.871 ( -0.608 3.467 -0.193) 3.526 8.994 ( -2.198 4.238 -0.441) 4.795 9.165 ( -1.410 6.885 0.607) 7.054 9.195 ( -1.543 4.019 -1.086) 4.440 9.399 ( -0.016 -6.789 0.469) 6.806 9.484 ( 0.420 -4.803 -0.451) 4.842 9.617 ( 0.053 7.702 -0.136) 7.704 9.710 ( 0.026 7.159 0.196) 7.161 9.834 ( -0.297 -4.831 -1.002) 4.943 10.080 ( -0.408 -6.946 0.268) 6.963 10.624 ( 0.356 -7.356 -0.339) 7.373 10.710 ( 0.440 0.903 -0.136) 1.014 11.010 ( -0.119 -7.197 1.214) 7.299 11.057 ( 1.152 5.165 -0.496) 5.315 11.094 ( 0.221 -0.667 0.099) 0.710 11.160 ( 0.435 3.354 -0.087) 3.383 11.399 ( 1.374 -3.846 -0.963) 4.196 11.594 ( 1.087 -6.664 1.104) 6.842 11.725 ( 0.452 12.085 0.558) 12.107 11.742 ( 0.620 12.006 -0.629) 12.039 12.028 ( -2.421 -6.091 -0.025) 6.554 12.066 ( -0.609 -4.805 0.050) 4.843 12.232 ( 0.177 3.191 0.134) 3.199 12.240 ( -0.007 1.652 -0.489) 1.723 12.883 ( 0.153 18.947 0.385) 18.952 12.936 ( 1.041 20.421 0.184) 20.449 13.329 ( 0.343 9.614 0.502) 9.633 13.367 ( 0.350 8.824 -0.636) 8.854 13.427 ( -0.384 13.897 -0.436) 13.909 13.482 ( 0.798 14.666 -0.423) 14.694 14.032 ( -0.426 -5.253 -0.359) 5.282 14.118 ( -0.315 0.659 -0.346) 0.808 14.207 ( -1.577 -6.520 -0.589) 6.734 14.241 ( 3.051 1.672 1.409) 3.753 14.543 ( -0.780 -10.863 -0.430) 10.900 14.573 ( -1.437 -9.895 0.379) 10.006 14.975 ( -0.882 -5.069 -0.894) 5.222 15.081 ( -1.707 -7.459 -1.428) 7.784 15.245 ( -3.501 -7.781 -0.114) 8.533 15.355 ( -2.660 -7.079 -0.472) 7.577 15.622 ( 1.022 -6.225 0.494) 6.327 15.725 ( -2.818 -2.462 0.354) 3.759 15.730 ( -3.388 13.905 0.839) 14.336 15.835 ( -2.526 -3.422 -0.431) 4.275 16.309 ( -0.072 -3.861 0.131) 3.864 16.320 ( -0.538 -2.622 0.051) 2.677 16.704 ( -1.656 -10.749 0.635) 10.895 16.724 ( -0.516 -10.771 -0.241) 10.786 17.050 ( 0.781 1.581 0.471) 1.826 17.101 ( 0.932 0.541 0.047) 1.078 17.233 ( 1.324 1.645 -0.171) 2.119 17.325 ( 0.894 -0.571 0.236) 1.087 20.364 ( -0.932 1.544 -0.522) 1.877 20.477 ( -0.608 -2.889 2.003) 3.568 20.528 ( -1.817 0.908 0.781) 2.176 20.612 ( -1.889 1.606 -0.907) 2.640 21.306 ( 0.844 -1.664 -0.018) 1.866 21.495 ( 1.535 -6.178 -0.841) 6.421 21.990 ( -1.160 -4.480 -0.247) 4.635 22.026 ( -1.066 -1.124 -0.226) 1.565 22.757 ( 2.326 10.912 -1.335) 11.237 22.994 ( 3.707 1.400 0.477) 3.992 23.018 ( 2.653 3.407 -0.126) 4.320 23.144 ( 0.848 0.461 0.212) 0.988 26.978 ( 0.217 11.670 -0.150) 11.673 27.024 ( 0.892 12.625 -0.013) 12.657 28.228 ( 1.466 -24.761 2.598) 24.940 28.287 ( -0.066 -23.804 -2.726) 23.960 29.472 ( -1.637 26.893 -1.392) 26.978 29.512 ( -0.436 28.319 1.569) 28.366 30.525 ( -1.047 1.222 3.319) 3.688 30.617 ( -4.357 -2.447 -3.645) 6.185 31.329 ( -1.779 7.918 -1.808) 8.315 31.397 ( 5.508 -2.897 2.557) 6.728 31.614 ( -1.282 0.921 9.608) 9.737 31.767 ( 0.206 1.393 -1.933) 2.391 31.833 ( -0.902 -4.030 -2.173) 4.667 32.123 ( 1.692 -10.114 1.290) 10.336 32.196 ( -0.420 -9.666 -0.798) 9.708 32.258 ( 9.002 -9.229 -5.203) 13.902 32.731 ( 1.234 14.997 1.269) 15.102 32.744 ( 0.358 16.425 -1.452) 16.493 33.622 ( 3.000 -9.245 4.233) 10.601 33.670 ( -0.347 -7.449 -6.258) 9.735 33.885 ( 0.607 7.432 0.094) 7.458 33.931 ( 1.575 7.287 -0.207) 7.458 34.421 ( -0.103 -4.909 5.348) 7.260 34.562 ( 2.168 -6.564 -7.349) 10.089 35.628 ( -0.536 1.884 -1.225) 2.310 35.803 ( -0.649 1.736 0.154) 1.860 35.813 ( -1.555 -2.197 1.440) 3.053 35.879 ( -0.601 0.398 0.652) 0.972 35.933 ( 0.539 0.179 -2.532) 2.595 36.019 ( -0.078 -1.502 -0.114) 1.508 36.220 ( 0.114 1.245 0.763) 1.464 36.262 ( 1.175 0.642 -0.618) 1.475 37.767 ( -9.759 5.974 12.576) 17.003 38.354 ( 0.240 0.003 8.710) 8.713 38.612 ( -6.626 -9.839 -6.130) 13.352 38.839 ( 1.136 -7.389 -9.501) 12.090 ======================= Grid point 82 (46/54) ======================= q-point: (-0.29 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.144 ( -5.788 40.198 -2.886) 40.715 1.468 ( 0.846 14.043 -7.985) 16.176 1.846 ( -7.236 14.250 -0.016) 15.982 1.980 ( -6.638 15.909 4.322) 17.771 2.171 ( -12.475 12.945 6.764) 19.208 2.267 ( -6.404 7.434 22.130) 24.207 2.361 ( -11.194 9.153 -4.545) 15.158 2.494 ( -5.185 -1.395 10.815) 12.075 2.582 ( -3.929 -3.014 0.581) 4.985 2.732 ( -21.713 -1.162 -2.500) 21.887 2.738 ( -2.988 -1.647 5.200) 6.220 2.839 ( -6.731 -3.711 5.159) 9.257 2.973 ( -3.511 -5.224 6.459) 9.019 3.028 ( -1.982 -2.043 -1.975) 3.464 3.060 ( -6.742 -6.184 -4.334) 10.123 3.127 ( 1.527 -3.448 0.965) 3.893 3.249 ( -0.596 -0.931 -3.285) 3.466 3.295 ( 2.022 -0.977 -3.456) 4.122 3.332 ( -9.188 -3.239 -4.712) 10.821 3.358 ( -4.739 1.016 0.172) 4.850 3.474 ( -1.400 3.880 -0.132) 4.127 3.563 ( -0.703 6.661 -2.262) 7.070 3.595 ( -1.463 -6.131 -1.368) 6.450 3.780 ( -4.984 -0.131 -4.603) 6.785 3.854 ( -4.443 0.470 -5.308) 6.938 3.867 ( -0.320 5.429 -6.143) 8.204 4.110 ( -4.311 -0.085 5.557) 7.034 4.154 ( -2.539 0.013 -0.468) 2.582 4.210 ( -1.952 -2.714 0.195) 3.348 4.341 ( 1.521 -4.215 -1.157) 4.628 4.481 ( 1.354 -1.564 2.189) 3.012 4.591 ( 1.124 0.850 -0.401) 1.466 4.663 ( -1.972 -0.155 -2.491) 3.181 4.693 ( 3.053 -3.605 -4.152) 6.289 4.802 ( 1.785 4.935 -2.635) 5.872 4.869 ( 1.373 -2.319 0.497) 2.741 5.089 ( -2.389 1.207 -1.639) 3.139 5.216 ( 1.946 -2.486 3.786) 4.930 5.377 ( 1.698 -0.104 -0.843) 1.899 5.427 ( 6.791 4.025 3.854) 8.785 5.605 ( -5.473 -2.335 -2.692) 6.531 5.690 ( -0.888 2.953 -1.476) 3.419 5.834 ( 1.912 -1.734 1.973) 3.248 5.955 ( 2.191 -0.492 1.517) 2.710 6.651 ( 0.736 0.304 1.989) 2.143 6.855 ( 0.679 -4.553 -1.004) 4.711 7.150 ( -0.762 -3.204 -3.511) 4.814 7.348 ( 2.906 -7.781 1.841) 8.508 7.388 ( 3.496 4.493 0.435) 5.710 7.500 ( 0.769 2.488 1.178) 2.858 7.768 ( -1.344 -5.035 1.852) 5.531 7.847 ( -3.280 -3.381 -2.996) 5.582 7.850 ( 0.899 -4.032 1.512) 4.399 7.971 ( -2.883 -5.450 0.338) 6.174 8.339 ( -3.618 -3.864 -1.270) 5.443 8.537 ( -2.405 -6.337 0.245) 6.782 8.856 ( -1.255 4.116 0.423) 4.324 8.919 ( -3.786 6.832 0.099) 7.811 9.105 ( -4.103 5.544 -0.368) 6.906 9.147 ( -2.745 4.564 -0.555) 5.355 9.406 ( 0.634 -7.355 1.079) 7.461 9.494 ( 0.309 -5.430 -0.315) 5.448 9.611 ( -0.591 7.603 -0.633) 7.652 9.706 ( -0.804 6.445 0.205) 6.499 9.848 ( 2.243 -3.164 0.376) 3.897 10.063 ( -0.942 -5.990 -0.419) 6.078 10.649 ( 2.194 -8.276 0.018) 8.562 10.724 ( 0.960 -2.352 -1.058) 2.752 11.001 ( -0.584 -5.035 0.609) 5.105 11.098 ( 0.823 0.823 0.032) 1.165 11.108 ( 2.792 6.037 -0.013) 6.651 11.181 ( 1.339 4.700 0.014) 4.887 11.452 ( 3.591 -4.113 -0.907) 5.535 11.640 ( 3.161 -6.075 1.034) 6.926 11.734 ( 0.649 12.608 -0.275) 12.627 11.765 ( 1.353 11.422 -0.826) 11.532 11.946 ( -5.090 -4.938 -0.264) 7.097 12.039 ( -1.869 -3.906 1.143) 4.479 12.234 ( 0.086 2.903 -0.911) 3.044 12.246 ( 0.461 1.884 0.679) 2.055 12.899 ( 1.342 20.022 0.776) 20.082 12.974 ( 2.579 21.838 0.344) 21.993 13.342 ( 0.703 10.135 0.539) 10.174 13.376 ( 0.357 8.170 -0.423) 8.189 13.419 ( 0.209 14.636 -0.693) 14.654 13.515 ( 2.206 15.699 -0.631) 15.866 14.013 ( -1.398 -5.040 -0.636) 5.269 14.097 ( -1.694 0.360 -1.044) 2.022 14.163 ( -2.482 -5.002 -0.559) 5.612 14.316 ( 2.523 3.182 -0.979) 4.178 14.500 ( -3.224 -11.263 -1.585) 11.822 14.520 ( -3.327 -11.475 0.057) 11.947 14.937 ( -2.917 -8.033 -0.456) 8.559 15.015 ( -4.299 -9.146 -0.977) 10.153 15.073 ( -9.931 -4.468 -3.982) 11.595 15.300 ( -3.833 -8.411 4.210) 10.157 15.607 ( -5.966 11.841 1.354) 13.328 15.617 ( -2.850 -2.726 -0.819) 4.028 15.679 ( -1.920 2.419 -0.246) 3.098 15.739 ( -6.376 -6.252 3.862) 9.729 16.301 ( -0.898 -2.648 0.081) 2.797 16.309 ( -0.210 -3.476 -0.272) 3.493 16.641 ( -3.836 -11.613 0.789) 12.256 16.710 ( -0.766 -11.778 -1.008) 11.846 17.080 ( 1.542 1.635 0.058) 2.248 17.131 ( 1.717 0.913 0.467) 2.000 17.282 ( 2.939 0.897 0.486) 3.111 17.357 ( 1.931 -0.618 -0.157) 2.034 20.331 ( -1.926 1.646 -0.761) 2.645 20.440 ( -2.518 -2.663 -0.408) 3.688 20.457 ( -4.107 1.569 0.742) 4.459 20.576 ( -1.942 1.737 1.797) 3.164 21.341 ( 2.117 -0.923 -0.490) 2.361 21.525 ( 0.999 -5.333 -1.839) 5.729 21.942 ( -2.505 -4.434 -0.813) 5.157 22.003 ( -1.418 -2.396 0.731) 2.879 22.855 ( 7.193 10.598 -0.507) 12.818 23.102 ( 5.842 3.236 -0.225) 6.682 23.141 ( 8.464 1.818 0.392) 8.666 23.177 ( 2.369 0.367 0.372) 2.426 26.986 ( 0.613 12.655 -0.122) 12.670 27.063 ( 2.909 14.944 -0.886) 15.250 28.261 ( 0.839 -24.086 -0.964) 24.120 28.298 ( 1.420 -22.659 0.926) 22.723 29.314 ( -7.598 26.028 -7.976) 28.263 29.580 ( -0.013 27.356 11.039) 29.500 30.454 ( -4.900 1.565 -1.205) 5.284 30.504 ( -6.145 -0.573 1.677) 6.396 31.326 ( 1.245 14.727 -2.115) 14.930 31.403 ( -3.721 -1.148 0.439) 3.919 31.727 ( 4.867 1.753 5.709) 7.704 31.778 ( 0.675 0.901 -1.691) 2.031 31.875 ( 10.320 -8.005 8.055) 15.345 32.159 ( 1.584 -9.867 1.342) 10.083 32.196 ( 0.679 -9.464 -0.536) 9.504 32.490 ( 10.884 -7.099 -9.079) 15.852 32.765 ( 2.469 16.841 1.334) 17.073 32.801 ( 6.169 13.223 -2.404) 14.788 33.683 ( 2.194 -7.361 4.444) 8.874 33.700 ( 3.572 -6.373 -8.467) 11.183 33.923 ( 3.131 6.369 -0.011) 7.097 33.989 ( 3.795 5.992 0.728) 7.130 34.438 ( 1.436 -4.795 5.128) 7.166 34.624 ( 3.913 -6.704 -7.354) 10.693 35.608 ( -1.336 1.393 -1.628) 2.525 35.757 ( -4.000 -1.914 -0.154) 4.437 35.780 ( -1.432 1.740 -0.042) 2.254 35.846 ( -2.268 0.958 -0.116) 2.465 35.928 ( -0.621 0.511 -2.288) 2.426 36.027 ( 0.547 -1.058 0.667) 1.365 36.233 ( 0.727 0.350 1.974) 2.132 36.291 ( 1.516 0.005 -1.612) 2.213 37.468 ( -18.666 8.271 18.331) 27.438 38.107 ( -18.696 4.579 -17.283) 25.869 38.602 ( 2.170 -18.543 17.461) 25.563 38.847 ( 0.320 -11.753 -10.576) 15.814 ======================= Grid point 83 (47/54) ======================= q-point: (-0.14 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.027 ( -4.177 40.937 2.205) 41.209 1.386 ( -9.633 15.179 -3.308) 18.280 1.447 ( -32.559 9.337 10.409) 35.434 1.704 ( -25.058 8.816 -8.783) 27.978 1.872 ( -6.170 16.857 5.348) 18.730 2.068 ( -19.316 -2.375 6.445) 20.501 2.112 ( -9.194 3.840 2.875) 10.370 2.240 ( -9.086 1.005 1.213) 9.221 2.385 ( -16.507 -7.608 6.109) 19.175 2.535 ( -3.095 -2.123 1.343) 3.987 2.655 ( -2.723 12.006 14.140) 18.748 2.699 ( -5.268 -5.888 0.880) 7.950 2.815 ( -3.785 3.498 4.266) 6.690 2.878 ( -4.791 2.483 2.732) 6.049 3.009 ( -0.657 0.108 -0.962) 1.171 3.147 ( -2.825 4.813 -3.596) 6.639 3.169 ( 0.715 0.232 8.714) 8.747 3.235 ( -1.234 0.548 -2.099) 2.496 3.323 ( -0.049 -3.053 -14.458) 14.777 3.353 ( 0.923 0.301 0.089) 0.975 3.481 ( -1.556 -1.089 2.156) 2.873 3.550 ( 0.194 7.703 -13.050) 15.156 3.627 ( 3.831 -5.305 -6.952) 9.547 3.676 ( -3.705 3.276 -0.754) 5.003 3.782 ( -1.674 -1.394 -3.018) 3.722 3.898 ( 1.866 -4.550 -1.297) 5.086 4.013 ( -2.751 -4.683 7.645) 9.378 4.111 ( 0.385 3.471 -2.409) 4.243 4.291 ( 4.534 -0.787 1.069) 4.724 4.395 ( 2.723 -1.033 -2.670) 3.952 4.498 ( -0.215 0.864 0.361) 0.961 4.601 ( -0.170 2.656 0.960) 2.829 4.652 ( 0.858 -1.346 3.651) 3.985 4.741 ( 1.307 2.911 -3.048) 4.413 4.805 ( -1.698 3.518 -0.942) 4.019 4.914 ( 3.531 -2.088 -4.251) 5.907 5.069 ( 0.735 -0.621 -0.373) 1.032 5.262 ( 2.427 -3.754 3.386) 5.608 5.403 ( 0.647 0.073 -1.079) 1.260 5.480 ( -5.212 -1.665 -2.521) 6.025 5.628 ( 9.188 -9.809 4.742) 14.252 5.688 ( 1.149 1.716 -1.970) 2.854 5.849 ( -0.021 -2.718 -1.485) 3.097 6.018 ( 3.410 0.651 2.153) 4.085 6.676 ( 1.329 1.117 1.820) 2.515 6.845 ( -1.241 -4.384 -1.257) 4.726 7.134 ( -0.450 -3.287 -2.057) 3.903 7.367 ( -2.101 -8.685 0.151) 8.937 7.458 ( 2.929 4.680 0.551) 5.548 7.533 ( 2.103 1.302 1.833) 3.079 7.709 ( -3.309 -3.843 2.760) 5.774 7.761 ( -4.255 -2.204 -2.826) 5.563 7.846 ( -1.764 -3.878 1.524) 4.525 7.905 ( -2.674 -4.655 -0.042) 5.369 8.270 ( -2.426 -6.717 -1.589) 7.317 8.495 ( -1.026 -9.592 1.969) 9.845 8.813 ( -1.894 7.353 -0.898) 7.645 8.865 ( -2.416 6.348 1.382) 6.932 9.016 ( -3.619 4.153 -0.250) 5.514 9.092 ( -2.369 4.115 -1.029) 4.859 9.420 ( 0.468 -7.849 1.262) 7.964 9.494 ( -0.283 -6.072 -0.458) 6.096 9.599 ( -0.268 6.999 -0.466) 7.020 9.673 ( -2.061 5.531 -0.151) 5.904 9.930 ( 4.859 -1.392 0.784) 5.114 10.053 ( 0.133 -4.608 -0.637) 4.654 10.709 ( 3.094 -8.596 0.116) 9.137 10.748 ( 1.262 -6.209 -1.269) 6.462 10.992 ( -0.317 -1.757 0.417) 1.833 11.109 ( 0.521 1.057 -0.210) 1.197 11.177 ( 3.106 7.776 0.148) 8.375 11.206 ( 1.015 6.195 -0.287) 6.284 11.533 ( 3.923 -4.833 -0.921) 6.292 11.694 ( -0.019 -7.210 -0.225) 7.213 11.754 ( 1.174 11.697 -0.401) 11.762 11.797 ( 2.299 11.768 -0.583) 12.005 11.851 ( -2.548 -2.274 -0.129) 3.418 11.997 ( -2.202 -2.011 1.500) 3.338 12.238 ( 0.420 2.540 -1.019) 2.769 12.254 ( 0.001 2.584 0.816) 2.710 12.934 ( 1.654 21.275 0.625) 21.349 13.040 ( 3.362 24.364 0.815) 24.608 13.354 ( 0.460 10.063 -0.070) 10.074 13.377 ( -0.188 7.704 -0.301) 7.712 13.446 ( 2.295 15.952 -0.145) 16.117 13.569 ( 3.017 19.752 -4.794) 20.548 13.973 ( -2.189 -4.740 -0.020) 5.221 14.036 ( -5.232 1.350 -2.849) 6.108 14.095 ( -3.471 -2.245 -0.791) 4.209 14.240 ( -8.395 3.710 -3.104) 9.689 14.448 ( -1.934 -10.960 -0.449) 11.138 14.469 ( -0.653 -11.378 0.381) 11.403 14.860 ( -3.265 -12.229 0.037) 12.658 14.935 ( -3.440 -4.090 -1.654) 5.595 14.955 ( 0.548 -12.557 2.510) 12.818 15.192 ( -6.215 -11.847 5.063) 14.304 15.483 ( -4.758 14.480 0.692) 15.257 15.551 ( -6.007 14.872 -0.625) 16.052 15.585 ( -2.739 -9.213 2.115) 9.842 15.675 ( -0.669 -6.748 1.196) 6.885 16.287 ( -0.396 -2.255 0.376) 2.320 16.304 ( -0.197 -3.261 -0.808) 3.365 16.574 ( -2.185 -12.320 1.042) 12.556 16.684 ( -1.823 -13.015 -2.069) 13.304 17.102 ( 0.580 1.770 -0.594) 1.955 17.162 ( 1.071 1.026 0.605) 1.602 17.339 ( 2.270 0.280 0.880) 2.450 17.394 ( 1.437 -0.918 -0.734) 1.857 20.296 ( -1.223 1.649 -0.786) 2.199 20.381 ( -2.956 2.789 1.516) 4.338 20.394 ( -1.589 -2.211 -0.854) 2.854 20.537 ( -1.595 2.090 0.887) 2.775 21.376 ( 0.934 -0.344 -1.353) 1.679 21.523 ( -0.949 -2.718 -1.114) 3.087 21.901 ( -1.341 -4.786 -0.267) 4.978 21.975 ( -1.030 -3.544 0.577) 3.735 23.023 ( 7.391 7.014 -0.038) 10.190 23.227 ( 2.916 0.909 -0.062) 3.055 23.235 ( 6.012 4.609 -0.080) 7.576 23.314 ( 6.769 2.782 0.442) 7.331 27.004 ( 1.012 14.415 0.388) 14.456 27.136 ( 3.626 18.597 -4.319) 19.433 28.249 ( -1.068 -19.960 -2.107) 20.099 28.346 ( 2.730 -21.712 4.286) 22.299 29.202 ( -1.550 22.993 -3.582) 23.322 29.478 ( -9.781 24.432 8.245) 27.579 30.365 ( -4.474 5.871 4.523) 8.657 30.383 ( -3.303 -0.329 -4.335) 5.459 31.318 ( -1.270 6.818 -2.404) 7.340 31.375 ( 0.549 16.277 -3.032) 16.566 31.758 ( 0.338 2.530 1.928) 3.198 31.792 ( 0.892 0.833 -1.461) 1.904 32.179 ( 3.610 -7.553 8.562) 11.974 32.187 ( 10.488 -12.759 7.218) 18.025 32.236 ( 2.892 -7.458 0.249) 8.003 32.611 ( 2.040 2.689 -6.830) 7.618 32.836 ( 3.873 17.158 4.373) 18.125 33.008 ( 11.292 4.364 -9.851) 15.607 33.709 ( 0.006 -5.230 4.664) 7.008 33.787 ( 4.359 -0.491 -10.564) 11.439 34.013 ( 4.902 1.521 -1.391) 5.317 34.070 ( 4.141 4.573 -0.701) 6.209 34.489 ( 3.223 -5.122 4.298) 7.423 34.692 ( 2.349 -6.928 -7.289) 10.327 35.567 ( -2.557 0.564 -1.986) 3.286 35.643 ( -6.524 -1.023 -1.630) 6.802 35.751 ( -1.250 1.673 -0.006) 2.089 35.804 ( -1.472 1.285 0.528) 2.024 35.925 ( 1.029 1.055 -0.610) 1.595 36.033 ( -0.247 -0.295 0.011) 0.385 36.239 ( -0.446 -1.606 3.075) 3.498 36.314 ( 0.618 -1.362 -2.149) 2.619 37.096 ( -15.733 10.652 25.768) 32.015 37.704 ( -17.102 7.083 -22.363) 29.030 38.655 ( 1.386 -28.641 20.978) 35.529 38.862 ( 2.222 -17.588 -10.754) 20.735 ======================= Grid point 84 (48/54) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.141 ( -3.777 12.342 9.010) 15.741 1.279 ( 0.656 2.406 -4.194) 4.880 1.613 ( 3.054 7.896 0.536) 8.483 1.651 ( -3.527 -8.674 1.170) 9.436 1.682 ( -3.728 11.179 4.088) 12.474 1.779 ( 0.975 8.668 -2.116) 8.976 1.955 ( 0.127 -6.279 3.261) 7.076 2.031 ( -0.269 -10.864 1.196) 10.933 2.521 ( 1.013 14.564 7.529) 16.426 2.599 ( 0.712 8.479 2.593) 8.895 2.672 ( -0.368 14.386 1.729) 14.494 2.824 ( -1.432 0.555 8.043) 8.189 2.918 ( -0.144 1.241 1.798) 2.190 3.005 ( -2.570 1.746 2.527) 4.005 3.044 ( 1.523 -3.000 5.703) 6.622 3.104 ( 1.779 -2.538 -4.095) 5.136 3.214 ( -0.189 -4.417 -3.513) 5.647 3.239 ( 1.054 -2.918 -3.898) 4.982 3.291 ( -0.227 -1.218 3.936) 4.126 3.339 ( 1.267 5.748 5.012) 7.730 3.392 ( 3.079 1.604 -1.549) 3.801 3.511 ( 0.365 -6.124 -0.460) 6.152 3.620 ( -2.407 7.511 -0.759) 7.924 3.767 ( 2.396 -4.151 1.394) 4.991 3.793 ( -0.301 3.874 -6.666) 7.715 3.886 ( -1.373 -3.159 4.787) 5.898 3.996 ( 0.531 8.194 -0.413) 8.221 4.122 ( -1.352 -2.927 -8.109) 8.727 4.289 ( -0.246 4.307 -2.544) 5.008 4.485 ( 1.019 -4.803 3.135) 5.826 4.507 ( 0.472 0.008 -3.269) 3.302 4.554 ( 0.572 -1.700 -1.525) 2.354 4.645 ( -1.226 0.558 -4.057) 4.275 4.780 ( -1.421 -10.698 -5.146) 11.956 4.864 ( -2.116 10.498 3.114) 11.152 4.969 ( 2.117 7.456 -2.875) 8.267 5.058 ( -0.993 -0.830 1.711) 2.145 5.152 ( 1.551 -9.473 0.139) 9.600 5.309 ( 0.369 -4.330 -0.964) 4.451 5.323 ( -0.242 -5.414 -1.545) 5.635 5.616 ( 0.446 -0.090 3.013) 3.047 5.657 ( -1.293 -3.481 -1.397) 3.967 5.898 ( 0.199 6.934 0.713) 6.974 6.025 ( 0.439 -3.877 1.562) 4.203 6.743 ( 0.116 2.776 -0.107) 2.780 6.769 ( -0.523 -0.538 0.369) 0.836 7.078 ( -0.686 0.466 -1.275) 1.521 7.178 ( -0.071 -7.727 -0.090) 7.728 7.550 ( 0.438 -0.058 0.182) 0.478 7.565 ( 0.426 -0.387 0.177) 0.602 7.667 ( -1.504 5.515 1.011) 5.805 7.737 ( 0.000 0.224 -1.123) 1.145 7.803 ( 1.828 0.020 0.772) 1.985 7.842 ( 0.462 2.174 -1.347) 2.598 8.021 ( -0.298 -7.912 -0.471) 7.932 8.181 ( 0.720 -16.242 0.717) 16.274 8.983 ( -0.191 9.480 0.152) 9.484 9.014 ( -0.272 7.029 -0.357) 7.044 9.079 ( 0.918 3.588 1.631) 4.047 9.119 ( -0.206 2.949 -2.527) 3.889 9.247 ( 0.010 -7.582 0.897) 7.635 9.321 ( -0.008 -8.914 -1.196) 8.994 9.736 ( 0.025 5.029 -0.004) 5.029 9.767 ( -0.208 3.378 0.283) 3.396 10.011 ( -0.778 2.187 -0.350) 2.347 10.019 ( 0.236 3.822 -0.320) 3.842 10.465 ( -0.569 -12.915 -0.285) 12.930 10.473 ( 0.156 -12.624 -0.192) 12.627 11.133 ( 0.010 8.052 0.298) 8.058 11.198 ( -0.015 3.010 0.157) 3.014 11.353 ( 0.056 5.460 0.049) 5.461 11.398 ( 0.023 7.452 -0.056) 7.452 11.459 ( 0.388 -6.595 -0.943) 6.674 11.521 ( -0.407 -5.210 -0.466) 5.247 11.813 ( 0.114 -0.609 0.479) 0.783 11.845 ( 0.443 -3.442 0.827) 3.568 12.030 ( -0.363 10.284 0.155) 10.291 12.100 ( 0.054 9.076 0.329) 9.082 12.204 ( -1.049 -5.622 1.405) 5.889 12.233 ( 0.796 -4.081 -0.618) 4.203 13.488 ( 0.471 20.733 1.875) 20.823 13.537 ( 0.560 13.967 2.869) 14.269 13.599 ( -0.822 15.718 -0.479) 15.747 13.630 ( -0.076 15.196 -0.732) 15.214 13.825 ( 0.337 11.726 0.975) 11.771 13.858 ( -1.389 4.724 -1.044) 5.033 13.928 ( 1.565 0.851 1.339) 2.229 13.984 ( -1.272 -6.115 -4.240) 7.549 14.023 ( -1.274 -0.614 -0.721) 1.587 14.142 ( 1.830 -1.183 1.035) 2.412 14.233 ( -0.737 -7.882 3.567) 8.682 14.317 ( -1.278 -9.868 -5.123) 11.192 14.530 ( 0.796 -4.532 -2.512) 5.243 14.569 ( -0.300 -13.655 -0.259) 13.661 14.710 ( -2.378 -11.801 1.257) 12.104 14.808 ( 4.687 -14.494 -2.312) 15.408 15.473 ( 0.396 1.101 -0.691) 1.359 15.555 ( -0.410 -5.291 0.086) 5.308 15.800 ( 0.145 17.261 1.771) 17.352 15.848 ( -0.421 16.390 -2.904) 16.650 16.204 ( 0.137 -9.675 0.277) 9.680 16.243 ( -0.010 -4.227 -0.032) 4.227 16.266 ( 0.663 -10.182 1.620) 10.331 16.322 ( -1.399 -11.849 -3.379) 12.401 17.161 ( -0.061 3.042 -0.198) 3.049 17.198 ( 0.154 0.127 0.101) 0.224 17.365 ( 0.345 -0.349 -0.008) 0.491 17.375 ( -0.025 -1.393 -0.820) 1.617 20.293 ( -0.467 1.077 0.906) 1.483 20.325 ( 0.131 -1.959 0.057) 1.964 20.470 ( 0.272 4.597 0.032) 4.605 20.532 ( 0.304 -1.299 0.213) 1.351 21.413 ( 0.076 3.331 -0.653) 3.395 21.483 ( -0.080 -2.388 -0.426) 2.427 21.815 ( 0.137 -0.664 -0.188) 0.703 21.868 ( 0.012 -4.698 0.307) 4.708 23.209 ( 0.084 4.463 0.027) 4.464 23.262 ( -0.048 -0.714 0.294) 0.774 23.423 ( -0.130 3.380 -0.271) 3.393 23.444 ( -0.034 1.280 0.124) 1.287 27.376 ( 0.346 16.567 2.681) 16.786 27.520 ( -0.881 10.993 -3.821) 11.672 27.869 ( -1.075 -10.623 -0.173) 10.678 28.023 ( 0.651 -17.182 -2.030) 17.314 29.667 ( -2.027 16.158 -0.272) 16.286 29.716 ( 2.071 14.108 -0.330) 14.263 30.230 ( -2.447 -5.074 2.057) 5.997 30.317 ( 5.992 -11.125 -4.424) 13.389 31.616 ( 2.823 15.791 4.325) 16.615 31.717 ( -1.827 9.089 -1.747) 9.434 31.817 ( -0.010 1.910 0.501) 1.975 31.858 ( -0.502 3.493 0.371) 3.549 32.037 ( 0.364 -5.323 1.811) 5.634 32.121 ( 3.095 -10.816 14.226) 18.137 32.264 ( -0.332 5.267 -7.657) 9.299 32.492 ( -3.790 -11.298 -13.058) 17.678 33.205 ( -2.320 15.133 7.783) 17.174 33.434 ( 3.986 14.499 -15.109) 21.316 33.506 ( -2.542 -7.165 4.684) 8.929 33.790 ( 4.736 -11.185 -23.737) 26.664 34.166 ( 0.368 8.091 -0.106) 8.100 34.243 ( 0.394 5.074 -1.915) 5.437 34.408 ( 0.367 -5.844 1.676) 6.091 34.499 ( -2.309 -9.854 -4.195) 10.956 35.525 ( -0.824 0.152 0.146) 0.850 35.532 ( -0.768 -0.457 0.176) 0.911 35.771 ( -0.238 1.643 0.784) 1.836 35.798 ( -0.215 -0.718 1.203) 1.417 36.010 ( 1.288 2.261 0.274) 2.617 36.026 ( -0.604 1.046 -0.083) 1.211 36.195 ( 0.609 -0.749 2.523) 2.702 36.233 ( -1.215 -3.767 -0.710) 4.022 37.267 ( -0.065 18.266 30.191) 35.287 37.597 ( -5.230 -3.312 4.910) 7.901 38.113 ( 2.380 -7.724 6.868) 10.606 38.404 ( 1.719 -24.393 -15.984) 29.215 ======================= Grid point 85 (49/54) ======================= q-point: ( 0.14 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.590 ( 29.147 11.790 6.680) 32.143 1.600 ( 8.483 15.089 9.810) 19.897 1.770 ( 13.786 12.885 7.088) 20.157 1.782 ( 21.281 5.201 -2.879) 22.096 1.953 ( 22.962 -4.598 2.185) 23.520 2.041 ( 19.257 -5.496 1.903) 20.117 2.087 ( 15.370 -9.061 1.380) 17.895 2.145 ( 13.048 -12.861 1.153) 18.357 2.516 ( -1.300 13.328 6.836) 15.035 2.587 ( -0.868 8.814 -1.877) 9.054 2.676 ( 0.598 16.441 2.165) 16.594 2.802 ( -0.781 1.258 10.915) 11.015 2.900 ( -3.039 -7.584 2.019) 8.416 2.952 ( -0.286 6.042 2.185) 6.432 3.049 ( -2.467 -1.243 -0.846) 2.889 3.087 ( 0.226 -9.536 -6.727) 11.672 3.214 ( -1.275 1.177 -2.725) 3.230 3.233 ( 1.236 -0.081 -2.775) 3.039 3.311 ( -0.058 0.494 2.791) 2.835 3.411 ( 3.522 0.563 3.704) 5.142 3.463 ( 3.731 -4.331 -7.400) 9.351 3.530 ( 1.974 -1.900 -2.173) 3.497 3.617 ( 3.731 13.481 2.653) 14.238 3.711 ( -4.852 -0.279 -2.499) 5.465 3.807 ( 0.107 1.026 -1.280) 1.645 3.894 ( 2.443 -0.427 2.919) 3.830 4.031 ( 2.122 2.444 3.630) 4.863 4.110 ( 0.927 -5.014 -8.506) 9.917 4.256 ( -2.048 8.707 -1.964) 9.158 4.450 ( -4.034 2.809 -1.118) 5.041 4.499 ( -0.781 -3.605 -3.370) 4.997 4.555 ( -0.698 -3.987 -2.492) 4.753 4.612 ( -1.768 -1.588 0.577) 2.445 4.702 ( -6.003 -10.832 -3.930) 12.993 4.816 ( -1.447 9.124 3.853) 10.009 4.982 ( -1.017 0.171 0.120) 1.038 5.067 ( 1.659 4.488 -0.345) 4.797 5.187 ( 1.851 -5.345 -1.778) 5.929 5.329 ( 1.159 -4.003 -1.817) 4.547 5.364 ( 3.965 -5.634 -0.003) 6.889 5.614 ( -1.654 -0.146 1.566) 2.282 5.632 ( 0.258 -2.244 1.461) 2.690 5.890 ( -0.914 7.339 0.300) 7.402 6.015 ( -1.511 -3.485 0.437) 3.823 6.733 ( -1.054 2.782 -0.135) 2.978 6.767 ( -0.057 -1.053 1.268) 1.649 7.063 ( -0.703 0.462 0.254) 0.879 7.176 ( -0.312 -9.086 0.353) 9.099 7.546 ( -1.530 1.688 -0.480) 2.328 7.562 ( -0.134 0.728 -0.267) 0.787 7.674 ( 1.925 3.250 2.370) 4.459 7.778 ( 3.675 -1.357 0.594) 3.962 7.810 ( -0.715 -0.681 -2.104) 2.324 7.863 ( 0.785 0.260 -3.167) 3.273 8.064 ( 4.363 -5.128 0.030) 6.733 8.230 ( 3.598 -15.722 -1.019) 16.161 8.992 ( 1.219 9.838 0.240) 9.916 9.069 ( 4.260 7.223 0.044) 8.386 9.127 ( 3.132 4.144 0.012) 5.195 9.136 ( 2.238 2.244 -2.242) 3.883 9.258 ( 1.000 -7.371 0.814) 7.482 9.330 ( 0.789 -8.717 -0.838) 8.792 9.741 ( 0.309 4.458 -0.093) 4.469 9.777 ( 0.870 2.428 0.593) 2.647 9.984 ( -1.172 3.403 1.339) 3.840 9.992 ( -2.213 5.305 -0.791) 5.802 10.433 ( -2.390 -13.305 0.215) 13.520 10.442 ( -2.163 -13.646 0.100) 13.817 11.124 ( -0.847 7.671 0.239) 7.721 11.190 ( -0.841 2.812 0.277) 2.948 11.330 ( -2.066 5.227 -0.030) 5.621 11.360 ( -3.296 8.139 -0.236) 8.784 11.423 ( -2.930 -5.066 -1.029) 5.942 11.526 ( -0.666 -7.813 0.345) 7.849 11.817 ( 0.721 -0.169 -0.044) 0.742 11.851 ( 1.000 -2.709 0.029) 2.888 12.011 ( -1.318 10.551 0.588) 10.650 12.100 ( -0.621 8.003 0.141) 8.028 12.184 ( -0.429 -4.583 1.503) 4.842 12.246 ( 0.284 -4.649 -0.704) 4.711 13.484 ( -1.323 24.257 0.399) 24.296 13.518 ( -2.651 16.697 1.508) 16.973 13.581 ( -0.425 14.690 1.457) 14.769 13.619 ( -0.853 12.961 -0.522) 12.999 13.780 ( -4.154 9.948 -0.863) 10.815 13.866 ( 2.077 5.829 0.540) 6.212 13.913 ( -3.071 -2.571 -2.289) 4.613 13.977 ( 1.617 -6.072 0.102) 6.284 14.047 ( 2.994 -0.157 2.223) 3.733 14.139 ( -0.659 -10.224 -0.949) 10.289 14.269 ( -1.464 -6.507 -2.125) 7.000 14.285 ( 4.255 -4.349 3.017) 6.791 14.604 ( 3.494 -12.470 0.135) 12.951 14.656 ( 8.007 -6.913 0.745) 10.605 14.757 ( 6.354 -4.593 -1.935) 8.075 14.999 ( 11.949 -16.668 -6.080) 21.391 15.456 ( -1.777 -1.203 -1.375) 2.549 15.526 ( -2.012 -5.645 1.042) 6.082 15.856 ( 4.727 17.589 1.953) 18.317 15.895 ( 4.668 16.164 -2.082) 16.953 16.218 ( 0.922 -6.937 -0.033) 6.998 16.246 ( -0.003 -1.496 -0.131) 1.501 16.288 ( 1.650 -17.281 1.501) 17.425 16.318 ( 1.553 -11.376 -1.341) 11.559 17.151 ( -0.931 2.921 -0.019) 3.066 17.188 ( -1.165 -0.027 -0.123) 1.172 17.355 ( -1.340 -0.183 -0.488) 1.438 17.361 ( -1.158 -1.100 -0.776) 1.776 20.302 ( 1.281 1.571 1.286) 2.401 20.345 ( 1.554 -2.352 0.299) 2.835 20.489 ( 1.575 4.731 -0.251) 4.993 20.558 ( 2.075 -1.724 -0.387) 2.726 21.397 ( -1.597 2.645 -1.073) 3.271 21.457 ( -2.305 -2.645 -0.256) 3.518 21.838 ( 1.931 -0.527 -0.351) 2.032 21.886 ( 1.776 -4.379 0.135) 4.727 23.169 ( -3.643 5.322 -0.239) 6.454 23.229 ( -2.808 -0.640 0.386) 2.905 23.328 ( -7.892 3.484 0.149) 8.628 23.359 ( -7.485 0.575 0.232) 7.511 27.360 ( -1.847 16.766 1.680) 16.951 27.465 ( -3.566 14.476 -1.747) 15.011 27.830 ( -2.427 -13.484 1.944) 13.838 27.974 ( -4.347 -19.421 -2.617) 20.073 29.630 ( 1.551 20.094 0.381) 20.157 29.882 ( 9.084 1.783 -0.092) 9.257 30.266 ( 5.583 3.458 -0.932) 6.633 30.504 ( 10.226 -12.758 -7.245) 17.884 31.609 ( -4.403 15.720 -3.112) 16.619 31.686 ( -0.971 15.326 3.883) 15.840 31.812 ( -0.858 0.864 0.950) 1.544 31.834 ( -1.530 4.151 0.243) 4.431 32.000 ( -3.759 -5.546 1.034) 6.779 32.104 ( -4.344 -8.184 4.542) 10.319 32.168 ( -7.201 -6.478 2.482) 9.999 32.296 ( -13.280 -10.690 -11.284) 20.445 33.127 ( -4.700 14.395 5.065) 15.968 33.378 ( -6.664 10.372 -7.826) 14.603 33.430 ( -4.575 -1.594 0.377) 4.859 33.759 ( -5.420 -11.566 -17.319) 21.520 34.150 ( -1.694 8.593 -0.935) 8.808 34.215 ( -2.950 6.094 -1.475) 6.930 34.387 ( -1.670 -7.861 1.228) 8.129 34.443 ( -2.461 -9.343 -2.399) 9.955 35.568 ( 4.061 1.288 0.153) 4.263 35.597 ( 5.484 -1.396 0.409) 5.674 35.778 ( 0.877 1.419 1.103) 2.000 35.803 ( 0.635 -0.753 1.417) 1.726 35.974 ( -1.780 3.629 0.032) 4.042 36.028 ( -0.667 -1.246 -0.481) 1.493 36.235 ( 1.795 -0.772 1.315) 2.355 36.245 ( 1.516 -1.883 0.517) 2.472 37.446 ( 14.022 12.617 28.036) 33.791 37.630 ( 7.470 1.367 8.980) 11.761 38.241 ( 9.001 -6.462 -0.149) 11.082 38.476 ( 5.823 -21.830 -16.568) 28.017 ======================= Grid point 86 (50/54) ======================= q-point: ( 0.29 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.705 ( 3.440 24.156 11.218) 26.855 1.811 ( 3.729 20.274 2.930) 20.821 2.102 ( 6.644 -3.466 9.366) 11.994 2.148 ( 11.691 -4.626 9.527) 15.775 2.350 ( 10.374 -3.278 7.094) 12.988 2.380 ( 7.427 -1.288 3.651) 8.375 2.499 ( 4.765 5.028 1.200) 7.030 2.529 ( 14.784 -5.093 0.074) 15.637 2.549 ( 19.785 3.134 4.921) 20.627 2.651 ( 9.371 0.367 -3.359) 9.961 2.711 ( 4.750 16.618 -0.067) 17.283 2.807 ( -3.214 -8.603 2.290) 9.465 2.840 ( 3.699 0.146 11.263) 11.856 2.973 ( 0.480 -2.329 -1.423) 2.771 3.037 ( 2.498 3.544 -4.277) 6.090 3.147 ( 1.851 0.718 -8.071) 8.311 3.159 ( -3.455 -0.346 -1.108) 3.645 3.225 ( 1.773 -10.199 -3.252) 10.851 3.341 ( 2.982 7.434 -2.339) 8.344 3.445 ( -0.894 -3.059 0.456) 3.219 3.531 ( -1.138 -0.805 -8.165) 8.283 3.582 ( 4.231 5.408 -4.713) 8.328 3.646 ( 2.935 -3.983 1.376) 5.136 3.708 ( 1.265 -4.506 -4.504) 6.495 3.894 ( 8.169 10.258 8.600) 15.682 3.976 ( 5.293 5.030 -0.976) 7.367 4.061 ( 0.623 -2.021 2.368) 3.175 4.158 ( 4.971 -6.136 -6.973) 10.534 4.248 ( 2.199 10.821 0.121) 11.042 4.362 ( -3.553 5.135 -2.292) 6.652 4.471 ( -2.532 -5.162 -6.242) 8.486 4.533 ( -1.025 -2.363 -1.318) 2.894 4.564 ( -4.076 -7.824 1.448) 8.940 4.578 ( -1.734 -4.633 -0.908) 5.030 4.797 ( -1.151 5.772 2.804) 6.519 4.961 ( -0.565 -2.955 1.769) 3.490 5.084 ( -0.386 5.232 -1.463) 5.446 5.220 ( 0.799 -3.603 -3.549) 5.121 5.361 ( 2.274 -0.039 -1.145) 2.546 5.444 ( 2.981 -5.634 0.567) 6.399 5.595 ( 0.728 3.878 1.345) 4.168 5.660 ( 1.932 -2.198 2.861) 4.093 5.864 ( -1.518 5.025 0.059) 5.250 5.963 ( -3.355 -3.144 -0.642) 4.643 6.701 ( -1.813 2.927 -0.007) 3.443 6.760 ( -0.729 -2.371 1.799) 3.064 7.053 ( -0.088 0.338 1.675) 1.711 7.160 ( -1.238 -9.220 0.586) 9.321 7.499 ( -2.349 5.397 0.511) 5.908 7.560 ( -0.226 -0.242 -0.495) 0.595 7.707 ( 0.281 0.401 -0.066) 0.494 7.781 ( -1.813 -4.018 -1.342) 4.608 7.862 ( 3.218 1.550 -0.268) 3.582 7.886 ( 2.487 -1.093 -1.121) 2.939 8.172 ( 5.348 -3.548 0.673) 6.453 8.310 ( 3.737 -14.064 -1.622) 14.642 9.019 ( 0.926 9.133 -0.575) 9.197 9.133 ( 1.900 9.184 -1.167) 9.451 9.185 ( 1.343 -3.875 -1.340) 4.314 9.213 ( 4.834 4.339 -0.167) 6.498 9.296 ( 2.650 -2.459 0.379) 3.635 9.345 ( 0.644 -7.554 -0.297) 7.588 9.747 ( 0.311 2.512 -0.009) 2.531 9.791 ( 0.302 -0.413 0.385) 0.640 9.939 ( -2.300 9.580 -1.853) 10.025 9.999 ( 2.163 6.448 2.452) 7.230 10.373 ( -2.566 -14.029 -1.116) 14.306 10.430 ( 0.882 -15.937 1.915) 16.075 11.099 ( -1.553 7.097 0.268) 7.270 11.162 ( -1.809 2.138 0.432) 2.834 11.277 ( -2.820 4.021 -0.116) 4.912 11.285 ( -3.327 8.820 -0.486) 9.439 11.358 ( -2.850 -4.110 -0.696) 5.050 11.480 ( -2.986 -8.723 0.435) 9.230 11.858 ( 2.934 0.598 0.274) 3.007 11.897 ( 3.052 -2.031 0.109) 3.668 11.982 ( -1.395 9.789 0.461) 9.899 12.063 ( -2.620 4.451 0.042) 5.165 12.192 ( 0.692 -2.640 0.551) 2.785 12.244 ( -0.387 -4.311 -1.215) 4.495 13.436 ( -2.451 24.700 -1.182) 24.849 13.455 ( -3.089 20.941 1.768) 21.241 13.579 ( -0.312 13.039 1.530) 13.132 13.597 ( -1.016 9.520 -0.154) 9.575 13.710 ( -2.463 9.527 -1.069) 9.898 13.826 ( -3.479 3.398 -3.211) 5.828 13.911 ( 0.589 -4.801 -0.491) 4.862 13.995 ( 0.448 -10.568 0.600) 10.594 14.092 ( 1.591 -0.584 1.024) 1.980 14.177 ( 1.526 -9.190 1.625) 9.457 14.281 ( 3.929 -3.219 0.092) 5.080 14.366 ( 2.417 -4.357 2.192) 5.443 14.703 ( 5.608 -7.897 1.165) 9.756 14.830 ( 8.485 -10.219 4.383) 13.987 14.900 ( 5.747 2.332 -4.581) 7.710 15.212 ( 7.878 -16.426 -6.819) 19.452 15.412 ( -1.943 -3.660 -1.172) 4.307 15.494 ( -0.848 -6.484 1.775) 6.776 15.973 ( 5.715 16.975 2.058) 18.029 16.001 ( 4.794 16.570 -1.332) 17.301 16.233 ( 0.455 -4.450 0.018) 4.473 16.244 ( 0.004 -0.913 -0.258) 0.949 16.347 ( 3.623 -17.636 1.791) 18.093 16.377 ( 3.786 -14.635 -0.980) 15.148 17.124 ( -1.552 2.357 0.152) 2.827 17.153 ( -2.028 0.018 -0.059) 2.029 17.313 ( -2.368 0.638 -0.808) 2.582 17.330 ( -1.693 -1.202 -0.383) 2.112 20.343 ( 2.369 1.575 1.379) 3.161 20.384 ( 2.047 -2.140 0.795) 3.067 20.531 ( 2.278 4.409 -0.227) 4.968 20.606 ( 2.220 -2.348 -1.149) 3.430 21.349 ( -2.782 1.194 -1.371) 3.324 21.399 ( -2.865 -3.622 -0.086) 4.619 21.888 ( 2.799 0.232 0.005) 2.809 21.937 ( 2.874 -3.866 -0.151) 4.819 23.062 ( -6.635 7.573 -0.574) 10.085 23.155 ( -5.867 -1.016 -0.109) 5.955 23.168 ( -6.244 2.124 0.438) 6.610 23.192 ( -5.171 0.122 0.365) 5.186 27.319 ( -1.807 17.309 0.751) 17.420 27.393 ( -3.052 16.377 -0.482) 16.666 27.781 ( -2.240 -17.315 2.167) 17.593 27.880 ( -3.979 -20.782 -2.146) 21.268 29.720 ( 6.314 21.919 3.043) 23.012 30.052 ( 7.155 -4.608 1.530) 8.647 30.375 ( 2.708 9.747 -3.542) 10.719 30.647 ( 2.759 -9.671 -8.214) 12.986 31.494 ( -4.335 12.730 -3.996) 14.028 31.632 ( -4.762 17.736 5.994) 19.318 31.761 ( -4.488 -7.642 -1.612) 9.008 31.816 ( -1.134 4.937 0.816) 5.131 31.876 ( -6.465 -2.492 -2.868) 7.499 32.004 ( -8.236 -10.544 1.886) 13.511 32.026 ( -4.760 -9.489 3.584) 11.205 32.057 ( -3.796 -8.735 -3.279) 10.073 33.048 ( -2.738 14.480 3.378) 15.119 33.225 ( -6.303 16.048 -5.055) 17.967 33.360 ( -2.134 -8.895 3.544) 9.810 33.613 ( -6.669 -14.032 -9.093) 18.002 34.108 ( -1.975 9.441 -1.021) 9.699 34.146 ( -3.082 8.255 -0.262) 8.816 34.345 ( -2.460 -7.639 2.424) 8.383 34.395 ( -1.781 -9.760 -5.540) 11.363 35.646 ( 2.993 2.663 -0.775) 4.081 35.704 ( 4.106 -2.650 -0.100) 4.888 35.805 ( 1.558 1.256 1.259) 2.364 35.827 ( 1.529 -0.715 1.613) 2.334 35.953 ( -0.506 3.077 -0.098) 3.119 36.010 ( -0.986 -2.171 -0.811) 2.518 36.255 ( 0.299 0.193 0.818) 0.892 36.262 ( 0.038 -0.439 0.383) 0.584 37.776 ( 13.653 7.768 19.660) 25.165 37.866 ( 13.344 1.657 14.109) 19.490 38.443 ( 9.584 -3.724 -6.690) 12.267 38.597 ( 5.841 -15.307 -16.012) 22.908 ======================= Grid point 87 (51/54) ======================= q-point: ( 0.43 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.724 ( -1.068 22.650 9.502) 24.585 1.876 ( 2.627 23.787 -0.841) 23.946 2.152 ( -0.257 -5.682 14.616) 15.684 2.325 ( 4.850 -3.898 4.067) 7.433 2.414 ( -0.416 3.157 11.789) 12.211 2.472 ( 2.267 -3.624 6.837) 8.064 2.597 ( 1.336 -1.541 8.294) 8.541 2.620 ( 0.490 0.692 3.356) 3.462 2.693 ( 1.329 14.158 -0.475) 14.228 2.812 ( 7.791 0.327 -8.328) 11.409 2.868 ( 3.900 -1.596 -0.118) 4.215 2.911 ( 2.405 -1.507 2.218) 3.602 2.936 ( 3.156 -1.102 8.297) 8.945 3.009 ( 3.595 -1.921 2.761) 4.923 3.071 ( -0.419 7.437 -6.636) 9.976 3.104 ( 1.391 2.973 -3.630) 4.893 3.135 ( -0.309 -6.082 0.588) 6.118 3.279 ( -1.292 -1.138 -5.422) 5.688 3.374 ( -0.092 0.313 -3.274) 3.290 3.394 ( -1.486 3.400 -5.097) 6.305 3.478 ( -2.011 -4.197 -3.745) 5.973 3.642 ( -1.920 -11.330 -4.273) 12.261 3.715 ( 5.809 -2.680 -2.549) 6.887 3.750 ( 0.753 -1.836 -5.736) 6.069 3.982 ( 1.430 7.376 4.845) 8.940 4.063 ( 1.716 11.513 0.468) 11.649 4.102 ( 3.162 2.669 0.737) 4.203 4.266 ( -2.755 1.711 -3.683) 4.907 4.322 ( 6.217 -2.333 -0.562) 6.664 4.363 ( 5.909 0.951 -0.317) 5.994 4.380 ( -4.366 -8.540 -7.348) 12.082 4.475 ( -3.857 -6.143 -0.511) 7.271 4.553 ( 2.335 -0.185 0.753) 2.461 4.623 ( 3.876 -3.354 -0.645) 5.166 4.774 ( -0.938 7.151 1.948) 7.471 4.962 ( 0.248 -3.198 1.913) 3.735 5.060 ( -1.356 3.578 -1.072) 3.973 5.201 ( -1.975 -3.559 -3.283) 5.229 5.423 ( 3.007 3.076 -0.277) 4.311 5.479 ( 0.530 -0.093 -0.219) 0.581 5.639 ( 2.598 0.520 1.602) 3.097 5.687 ( -0.258 -2.461 1.369) 2.828 5.838 ( -0.538 3.287 0.486) 3.366 5.894 ( -2.482 -2.222 -0.460) 3.363 6.668 ( -1.170 3.202 0.423) 3.436 6.748 ( -0.188 -3.432 1.660) 3.817 7.065 ( 1.016 -0.876 2.012) 2.418 7.134 ( -1.121 -7.612 0.222) 7.698 7.467 ( -0.586 7.347 1.514) 7.525 7.551 ( -0.525 -0.012 -0.742) 0.909 7.692 ( -1.004 -1.358 -1.742) 2.427 7.744 ( -1.404 -5.138 -1.397) 5.507 7.906 ( 1.290 2.997 -0.179) 3.267 7.937 ( 1.538 -0.963 0.325) 1.843 8.263 ( 2.870 -3.998 1.360) 5.106 8.367 ( 1.538 -12.495 -0.994) 12.628 9.024 ( -0.190 8.643 -1.088) 8.713 9.158 ( 0.576 8.236 -0.615) 8.279 9.195 ( 0.087 -5.883 -1.045) 5.976 9.288 ( 2.004 1.668 0.063) 2.608 9.342 ( 1.119 1.507 -0.383) 1.916 9.356 ( 0.457 -4.375 -0.216) 4.404 9.753 ( 0.120 -0.398 -0.313) 0.521 9.794 ( 0.116 -1.859 0.371) 1.899 9.898 ( -1.466 13.973 -1.635) 14.145 10.051 ( 2.028 7.880 1.699) 8.312 10.338 ( -0.813 -14.666 -0.892) 14.716 10.464 ( 1.672 -17.132 1.616) 17.289 11.070 ( -0.944 6.618 0.426) 6.698 11.128 ( -1.034 1.692 0.307) 2.007 11.226 ( -1.543 6.717 0.139) 6.894 11.238 ( -1.240 4.528 -0.680) 4.744 11.317 ( -0.999 -3.091 -0.637) 3.311 11.432 ( -1.371 -8.581 0.414) 8.700 11.919 ( 2.690 2.353 0.953) 3.699 11.951 ( 1.312 1.077 0.633) 1.811 11.960 ( -0.514 5.772 -0.132) 5.796 12.010 ( -2.014 2.536 -0.379) 3.261 12.200 ( 0.087 -2.860 0.220) 2.870 12.231 ( -0.636 -3.968 -1.524) 4.298 13.399 ( -1.374 24.918 0.179) 24.956 13.409 ( -0.780 21.340 0.295) 21.356 13.565 ( -0.589 11.637 1.115) 11.705 13.585 ( -0.306 8.683 -0.414) 8.699 13.679 ( -0.519 7.557 -0.157) 7.576 13.764 ( -2.062 4.006 -3.147) 5.496 13.911 ( -0.213 -6.961 -0.650) 6.995 14.003 ( 0.314 -12.325 0.501) 12.339 14.124 ( 1.058 0.393 0.582) 1.270 14.197 ( 0.681 -4.849 1.270) 5.058 14.363 ( 2.829 -3.937 0.874) 4.926 14.393 ( 0.306 -4.723 0.885) 4.815 14.802 ( 3.090 -4.098 2.411) 5.670 14.954 ( 1.199 -5.196 -1.910) 5.665 14.989 ( 4.450 -5.095 1.850) 7.013 15.304 ( 1.389 -17.976 -5.830) 18.949 15.387 ( -0.408 -1.757 -0.287) 1.827 15.492 ( 0.302 -5.862 1.023) 5.958 16.058 ( 1.955 15.230 1.018) 15.389 16.079 ( 2.477 15.207 -0.240) 15.410 16.236 ( -0.030 -3.263 0.597) 3.317 16.249 ( 0.274 -1.150 -0.730) 1.389 16.415 ( 2.180 -15.680 1.597) 15.911 16.445 ( 2.044 -14.530 -1.017) 14.708 17.095 ( -1.020 1.974 0.300) 2.242 17.116 ( -1.188 0.172 0.106) 1.205 17.271 ( -1.318 1.387 -0.580) 1.999 17.300 ( -0.872 -1.493 -0.214) 1.742 20.388 ( 1.450 1.319 1.041) 2.219 20.421 ( 1.200 -1.888 1.189) 2.533 20.570 ( 1.149 3.420 0.247) 3.617 20.633 ( 0.182 -2.128 -1.516) 2.619 21.297 ( -1.629 0.759 -0.984) 2.049 21.355 ( -1.040 -4.833 -0.401) 4.960 21.942 ( 1.887 0.633 0.311) 2.014 21.986 ( 1.375 -3.026 -0.345) 3.342 22.944 ( -3.321 6.410 -0.369) 7.228 23.016 ( -4.460 -0.875 -0.299) 4.555 23.098 ( -1.503 3.722 0.162) 4.017 23.146 ( -0.887 -0.773 0.342) 1.225 27.293 ( -0.648 17.277 0.533) 17.297 27.348 ( -1.067 17.019 -0.401) 17.058 27.749 ( -0.821 -19.342 1.700) 19.434 27.821 ( -1.457 -21.296 -1.655) 21.410 29.872 ( 7.627 22.513 6.256) 24.580 30.142 ( -0.747 9.441 -2.054) 9.690 30.375 ( 0.793 -1.039 0.364) 1.357 30.609 ( -5.351 -9.961 -8.020) 13.862 31.431 ( -2.648 7.896 0.219) 8.331 31.556 ( -1.160 13.394 1.237) 13.501 31.644 ( -4.623 -9.142 -0.195) 10.246 31.770 ( -1.285 1.629 -0.736) 2.201 31.822 ( -0.357 2.946 0.162) 2.971 31.896 ( -1.532 -11.352 1.691) 11.579 31.987 ( -0.052 -6.142 -0.643) 6.176 32.024 ( -0.733 -8.015 -0.368) 8.057 33.023 ( 0.084 14.604 3.346) 14.983 33.127 ( -3.021 15.722 -3.577) 16.405 33.347 ( 0.685 -10.808 3.917) 11.516 33.496 ( -3.914 -13.836 -6.193) 15.656 34.075 ( -1.034 9.062 -0.304) 9.126 34.102 ( -1.010 8.800 -0.573) 8.876 34.302 ( -1.485 -6.769 2.355) 7.319 34.368 ( -0.392 -9.978 -5.728) 11.512 35.685 ( 0.826 3.327 -0.699) 3.498 35.758 ( 1.099 -3.388 0.312) 3.575 35.837 ( 1.164 1.536 0.999) 2.171 35.861 ( 1.435 -0.750 1.449) 2.173 35.945 ( -0.236 1.915 -0.845) 2.106 35.989 ( -0.830 -2.178 -1.044) 2.554 36.254 ( -0.396 0.743 -0.044) 0.843 36.260 ( 0.149 0.248 0.652) 0.713 37.974 ( 4.216 8.558 13.083) 16.191 38.127 ( 9.115 -4.505 19.349) 21.858 38.583 ( 3.086 -2.133 -12.662) 13.206 38.666 ( 1.508 -8.617 -13.361) 15.970 ======================= Grid point 88 (52/54) ======================= q-point: (-0.43 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.740 ( 2.357 20.002 7.056) 21.341 1.912 ( 0.823 24.261 -3.310) 24.499 2.160 ( 0.107 -2.691 13.108) 13.381 2.351 ( -2.497 5.108 3.257) 6.552 2.405 ( 0.414 -3.544 8.140) 8.888 2.489 ( -6.344 -6.686 18.469) 20.641 2.519 ( -1.654 2.481 -1.771) 3.468 2.616 ( -3.079 0.466 3.160) 4.437 2.715 ( -1.607 14.052 1.551) 14.229 2.846 ( -8.572 9.795 5.979) 14.323 2.878 ( -1.384 -2.655 2.274) 3.760 2.913 ( -2.629 -1.359 -6.889) 7.498 2.937 ( 0.294 -8.061 -5.398) 9.706 3.055 ( -0.949 1.119 0.822) 1.682 3.089 ( 4.254 0.319 -5.758) 7.167 3.116 ( -0.706 6.623 -4.632) 8.113 3.147 ( 1.439 -5.596 5.151) 7.741 3.232 ( -4.773 -10.334 3.054) 11.785 3.290 ( -3.701 5.727 -3.339) 7.592 3.378 ( -0.329 4.168 -7.720) 8.780 3.499 ( 2.979 -5.102 0.590) 5.937 3.586 ( -4.000 -11.477 -3.254) 12.582 3.685 ( -5.614 0.968 -1.652) 5.931 3.767 ( -0.756 -7.294 -4.480) 8.593 4.005 ( 0.543 8.523 2.712) 8.961 4.099 ( 1.760 8.159 -2.165) 8.623 4.106 ( -4.534 2.922 -0.124) 5.395 4.223 ( -1.320 2.371 1.153) 2.949 4.279 ( -4.000 -5.243 0.553) 6.617 4.361 ( -2.649 1.050 -3.568) 4.566 4.406 ( -0.596 -3.351 -5.262) 6.267 4.481 ( 4.526 -8.716 -0.316) 9.827 4.574 ( -0.881 1.137 -1.970) 2.439 4.677 ( 0.688 -4.706 -5.047) 6.935 4.779 ( 1.717 8.632 2.234) 9.081 4.964 ( -0.134 1.769 0.468) 1.835 5.046 ( 0.261 -2.094 1.602) 2.650 5.157 ( -1.736 -2.359 0.241) 2.939 5.433 ( -2.685 2.275 -1.412) 3.792 5.480 ( -0.115 0.400 -0.141) 0.439 5.648 ( -2.395 -0.557 0.409) 2.492 5.694 ( 1.908 -2.238 1.045) 3.121 5.837 ( 0.109 3.366 0.730) 3.446 5.883 ( 1.346 -1.276 0.554) 1.935 6.663 ( 0.771 3.735 0.844) 3.906 6.758 ( 0.974 -3.809 0.732) 3.999 7.090 ( 0.964 -2.116 -0.176) 2.332 7.123 ( 0.405 -6.435 1.043) 6.532 7.478 ( 1.388 7.316 0.974) 7.510 7.543 ( -0.179 0.952 -0.336) 1.026 7.683 ( 0.285 -1.734 -0.971) 2.008 7.732 ( 0.480 -5.402 -0.348) 5.435 7.907 ( -1.259 3.034 -0.218) 3.292 7.945 ( -0.771 -0.868 -0.496) 1.262 8.276 ( -1.897 -4.737 0.358) 5.116 8.362 ( -2.072 -11.919 -0.696) 12.118 9.016 ( -0.443 8.701 -0.347) 8.720 9.157 ( -0.743 7.514 -0.451) 7.564 9.189 ( -0.630 -5.352 -0.465) 5.409 9.292 ( -1.747 0.991 -0.276) 2.027 9.334 ( -1.567 1.751 0.191) 2.357 9.359 ( -0.231 -3.847 -0.359) 3.871 9.752 ( -0.053 -0.749 -0.282) 0.802 9.796 ( -0.037 -2.676 0.321) 2.696 9.882 ( 0.153 15.491 -0.018) 15.491 10.066 ( -0.687 7.093 0.078) 7.127 10.333 ( 0.364 -14.157 -0.267) 14.164 10.479 ( -0.451 -17.206 0.138) 17.212 11.068 ( 0.774 6.781 0.578) 6.850 11.131 ( 1.207 1.587 0.087) 1.995 11.224 ( 1.363 7.332 0.394) 7.468 11.235 ( 1.026 3.983 -0.482) 4.141 11.317 ( 1.065 -3.096 -0.673) 3.343 11.430 ( 1.177 -8.643 0.608) 8.744 11.931 ( -2.551 1.028 -0.351) 2.773 11.952 ( -0.778 0.873 0.007) 1.169 11.970 ( 1.395 7.481 0.516) 7.627 11.997 ( 1.125 3.202 0.018) 3.394 12.202 ( 0.262 -3.724 0.894) 3.839 12.218 ( -0.512 -4.102 -1.150) 4.291 13.384 ( 0.080 23.818 1.153) 23.846 13.421 ( 1.612 22.415 -0.284) 22.475 13.568 ( 0.807 10.799 1.219) 10.898 13.587 ( 0.623 10.092 -1.052) 10.165 13.681 ( 0.419 6.023 0.156) 6.040 13.746 ( 0.695 5.510 -1.833) 5.849 13.909 ( 0.052 -7.204 -0.374) 7.214 14.009 ( 0.274 -12.624 -0.155) 12.628 14.125 ( -0.951 0.069 0.380) 1.027 14.199 ( -0.645 -5.670 1.112) 5.814 14.372 ( -1.940 -4.237 -0.009) 4.660 14.400 ( 0.386 -4.534 0.338) 4.563 14.821 ( -1.537 -2.557 1.586) 3.378 14.937 ( -2.263 -0.619 -2.934) 3.757 15.019 ( -2.084 -11.308 1.613) 11.611 15.265 ( -4.782 -18.006 -3.096) 18.885 15.387 ( 0.325 0.057 -0.325) 0.463 15.503 ( 0.673 -5.615 -0.076) 5.656 16.056 ( -2.236 15.958 1.003) 16.145 16.086 ( -1.847 14.479 -0.651) 14.611 16.235 ( -0.197 -2.962 0.581) 3.025 16.248 ( -0.194 -1.587 -0.482) 1.670 16.417 ( -2.297 -15.498 1.301) 15.722 16.447 ( -1.504 -14.660 -1.158) 14.783 17.093 ( 0.931 1.991 0.437) 2.241 17.114 ( 1.000 0.149 0.277) 1.048 17.267 ( 0.952 1.558 -0.208) 1.838 17.301 ( 0.910 -1.625 -0.241) 1.878 20.394 ( -0.912 1.282 0.342) 1.610 20.425 ( -0.934 -1.935 1.019) 2.378 20.568 ( -1.522 2.595 0.629) 3.073 20.614 ( -1.523 -1.365 -0.126) 2.050 21.294 ( 1.369 1.077 -0.619) 1.848 21.362 ( 1.670 -5.422 -1.075) 5.774 21.948 ( -1.508 0.355 -0.236) 1.567 21.984 ( -1.439 -2.518 -0.188) 2.906 22.945 ( 3.299 6.162 -0.539) 7.010 23.009 ( 4.028 -0.537 0.399) 4.083 23.097 ( 1.496 3.584 0.197) 3.888 23.145 ( 0.803 -0.836 0.393) 1.224 27.291 ( 0.425 17.238 0.640) 17.256 27.353 ( 1.600 16.940 -0.790) 17.034 27.753 ( 1.143 -19.804 1.454) 19.891 27.819 ( 1.392 -20.627 -1.650) 20.740 29.993 ( -3.389 21.649 -2.233) 22.026 30.046 ( 0.225 20.562 2.701) 20.740 30.448 ( 0.348 -11.384 3.328) 11.865 30.463 ( -3.887 -9.700 -2.752) 10.806 31.405 ( 0.518 4.918 2.228) 5.424 31.554 ( -1.795 -5.757 5.440) 8.122 31.609 ( 4.991 15.170 -2.404) 16.150 31.805 ( 2.052 2.821 -2.182) 4.115 31.822 ( 0.095 3.284 0.301) 3.299 31.914 ( 3.344 -10.763 0.202) 11.272 32.010 ( 0.286 -7.653 -1.744) 7.855 32.030 ( 4.440 -10.586 -2.152) 11.679 33.052 ( 2.391 15.171 3.785) 15.818 33.093 ( -0.009 15.846 -3.609) 16.252 33.389 ( 2.899 -12.307 4.660) 13.475 33.448 ( -0.264 -13.228 -6.205) 14.613 34.069 ( 0.441 8.768 0.087) 8.780 34.107 ( 1.523 8.729 -0.831) 8.900 34.292 ( 0.332 -6.034 1.966) 6.355 34.380 ( 1.965 -10.182 -5.513) 11.744 35.683 ( -0.917 3.251 -0.439) 3.406 35.754 ( -1.325 -3.358 0.598) 3.659 35.844 ( -0.584 1.904 0.377) 2.027 35.874 ( -0.432 -0.898 0.367) 1.062 35.948 ( 0.518 1.274 -1.320) 1.906 35.982 ( 0.339 -1.891 -0.390) 1.961 36.250 ( 0.049 1.386 0.323) 1.424 36.268 ( 0.609 -0.239 -0.214) 0.688 37.955 ( -6.849 11.955 14.096) 19.711 38.234 ( -0.112 -13.096 19.003) 23.079 38.511 ( -8.465 3.389 -16.031) 18.443 38.656 ( -2.369 -9.073 -11.111) 14.539 ======================= Grid point 89 (53/54) ======================= q-point: (-0.29 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.781 ( -0.251 17.288 3.666) 17.675 1.872 ( -5.396 25.793 -2.452) 26.465 2.110 ( -8.247 2.970 5.781) 10.500 2.240 ( -8.376 0.968 5.750) 10.206 2.337 ( -11.165 4.344 5.821) 13.320 2.393 ( -6.976 0.478 8.876) 11.299 2.463 ( -1.583 -7.615 1.307) 7.887 2.491 ( -12.326 -4.170 -1.334) 13.081 2.552 ( -12.879 8.330 1.675) 15.430 2.613 ( -18.528 -0.115 4.870) 19.158 2.677 ( -8.695 8.809 2.511) 12.629 2.875 ( -1.192 -4.121 -0.916) 4.387 2.934 ( 1.299 -3.814 -3.390) 5.266 3.018 ( -4.109 1.466 4.230) 6.076 3.047 ( -4.175 0.120 0.466) 4.203 3.063 ( -5.287 0.498 -4.120) 6.721 3.185 ( 3.451 -4.694 -4.114) 7.132 3.201 ( 4.119 -3.295 -2.359) 5.778 3.265 ( -3.341 -1.045 0.547) 3.543 3.374 ( -6.283 -3.473 2.678) 7.662 3.435 ( 4.567 4.030 0.908) 6.158 3.577 ( -6.123 4.483 1.438) 7.724 3.613 ( 3.822 -4.725 1.075) 6.172 3.710 ( -3.577 -6.909 -4.265) 8.873 3.941 ( -9.704 5.014 0.171) 10.924 4.000 ( -2.364 4.497 1.532) 5.306 4.058 ( -7.761 -1.072 0.516) 7.852 4.132 ( 2.045 -3.711 -3.214) 5.318 4.264 ( -0.077 10.059 -0.380) 10.066 4.377 ( 3.450 3.732 -5.157) 7.241 4.433 ( 3.214 -2.076 -4.066) 5.583 4.524 ( -1.542 -8.704 0.404) 8.849 4.584 ( 4.050 -2.338 -3.137) 5.631 4.689 ( 2.100 -3.337 -8.346) 9.230 4.826 ( 2.287 6.257 0.854) 6.716 4.959 ( -0.342 4.950 0.821) 5.030 5.065 ( 1.113 -4.092 0.975) 4.352 5.137 ( -0.598 -2.900 4.404) 5.307 5.359 ( -3.228 0.943 -1.030) 3.517 5.451 ( -2.850 -6.752 -0.480) 7.344 5.604 ( -1.324 5.855 0.452) 6.020 5.706 ( -0.842 -2.753 -1.273) 3.148 5.853 ( 1.358 4.205 1.252) 4.593 5.935 ( 3.091 -2.501 2.020) 4.460 6.693 ( 1.748 4.080 0.883) 4.526 6.781 ( 0.944 -3.154 -0.323) 3.308 7.094 ( -0.157 -1.235 -2.277) 2.595 7.155 ( 1.926 -7.507 1.218) 7.845 7.512 ( 1.548 4.754 -0.607) 5.037 7.546 ( 0.463 1.161 0.889) 1.534 7.692 ( 0.412 0.079 1.123) 1.199 7.760 ( 1.881 -4.010 0.682) 4.482 7.859 ( -3.230 2.815 -0.429) 4.306 7.900 ( -3.411 -1.523 -2.113) 4.292 8.191 ( -5.687 -5.524 -1.054) 7.998 8.287 ( -4.592 -12.836 0.435) 13.639 9.008 ( -0.441 8.844 0.415) 8.865 9.122 ( -2.478 9.768 -0.107) 10.078 9.173 ( -1.112 -5.219 -0.117) 5.337 9.216 ( -5.017 3.312 -0.364) 6.023 9.291 ( -2.267 -1.162 0.525) 2.601 9.350 ( -0.638 -7.020 -0.597) 7.074 9.749 ( -0.282 2.068 -0.247) 2.102 9.794 ( -0.166 -0.705 0.109) 0.733 9.910 ( 2.560 11.473 1.221) 11.818 10.035 ( -1.743 5.020 -1.304) 5.471 10.362 ( 2.587 -13.153 0.185) 13.406 10.460 ( -0.790 -16.248 -1.156) 16.308 11.095 ( 1.529 7.460 0.586) 7.637 11.166 ( 1.719 1.920 0.116) 2.580 11.275 ( 2.661 3.771 0.090) 4.616 11.279 ( 3.562 8.971 0.081) 9.653 11.358 ( 2.801 -4.057 -0.691) 4.978 11.478 ( 3.084 -8.832 0.707) 9.382 11.865 ( -3.409 0.105 -0.412) 3.435 11.903 ( -3.248 -2.412 -0.466) 4.073 11.994 ( 1.364 10.636 -0.773) 10.751 12.049 ( 2.766 5.995 1.440) 6.758 12.207 ( -0.330 -4.382 -1.144) 4.541 12.214 ( 0.592 -4.527 1.856) 4.929 13.407 ( 2.003 23.444 1.766) 23.596 13.469 ( 2.831 21.555 0.314) 21.742 13.590 ( 0.938 10.677 0.707) 10.742 13.606 ( 0.987 12.579 -1.128) 12.668 13.698 ( 1.671 8.744 0.140) 8.903 13.792 ( 3.545 4.911 -0.163) 6.060 13.909 ( -0.220 -5.504 -0.287) 5.515 14.009 ( -0.393 -10.850 -0.685) 10.879 14.096 ( -1.415 -1.426 0.448) 2.059 14.185 ( -0.433 -10.379 0.840) 10.422 14.298 ( -5.133 -3.558 -1.303) 6.380 14.401 ( -0.274 -6.759 -0.874) 6.821 14.739 ( -5.954 -2.299 -1.303) 6.514 14.846 ( -6.889 0.924 -1.202) 7.053 14.915 ( -6.998 -11.927 -2.228) 14.007 15.109 ( -9.928 -16.338 1.896) 19.212 15.404 ( 1.450 0.223 -0.144) 1.474 15.519 ( 1.026 -6.293 -0.842) 6.432 15.969 ( -5.852 17.455 1.713) 18.490 16.015 ( -4.528 16.583 -1.931) 17.298 16.230 ( -0.312 -3.734 0.168) 3.751 16.245 ( -0.075 -1.436 -0.088) 1.441 16.336 ( -4.680 -16.624 1.465) 17.333 16.403 ( -2.202 -16.077 -2.128) 16.366 17.124 ( 1.690 2.150 0.151) 2.739 17.147 ( 1.904 0.141 0.454) 1.963 17.302 ( 2.125 1.075 0.199) 2.389 17.331 ( 1.775 -1.630 -0.454) 2.452 20.359 ( -2.170 1.150 -0.187) 2.464 20.389 ( -2.330 -1.928 0.623) 3.088 20.520 ( -2.586 3.593 0.777) 4.494 20.579 ( -1.900 -1.592 1.319) 2.808 21.342 ( 2.904 1.584 -0.621) 3.366 21.412 ( 2.788 -4.846 -1.374) 5.757 21.893 ( -3.170 0.121 -0.429) 3.201 21.936 ( -2.820 -3.418 -0.050) 4.432 23.058 ( 6.475 7.702 -0.207) 10.065 23.152 ( 7.202 -1.045 0.195) 7.280 23.170 ( 5.917 1.857 0.188) 6.204 23.187 ( 4.566 0.294 0.863) 4.656 27.312 ( 1.445 17.370 1.139) 17.467 27.410 ( 3.858 15.449 -1.882) 16.034 27.797 ( 2.908 -18.461 1.122) 18.723 27.872 ( 3.622 -18.403 -1.895) 18.852 29.819 ( -8.740 21.591 -7.491) 24.467 30.045 ( -5.263 11.010 4.236) 12.918 30.337 ( -3.932 -4.997 -2.008) 6.668 30.475 ( -2.822 -6.695 9.197) 11.721 31.430 ( 2.179 6.699 2.209) 7.383 31.638 ( 9.456 -10.740 8.715) 16.754 31.747 ( 5.940 17.785 -3.955) 19.163 31.816 ( 0.004 2.717 0.379) 2.743 31.829 ( 1.257 6.411 0.415) 6.546 31.999 ( 5.511 -3.956 -0.984) 6.855 32.012 ( 0.475 -7.699 0.899) 7.766 32.227 ( 12.982 -16.616 -10.219) 23.432 33.122 ( 4.020 15.979 4.157) 16.994 33.129 ( 3.915 16.863 -4.049) 17.779 33.461 ( 3.635 -12.906 4.065) 14.011 33.486 ( 4.383 -13.455 -6.773) 15.688 34.093 ( 1.796 8.469 0.260) 8.662 34.156 ( 2.953 7.899 -0.795) 8.471 34.316 ( 1.878 -4.802 1.273) 5.311 34.438 ( 3.668 -10.473 -5.832) 12.536 35.650 ( -2.243 2.552 -1.010) 3.544 35.707 ( -3.251 -2.767 -0.363) 4.284 35.820 ( -1.546 1.796 -0.157) 2.375 35.848 ( -1.801 -0.791 -0.451) 2.019 35.956 ( 0.237 1.948 -0.535) 2.034 35.996 ( 0.802 -1.798 0.597) 2.057 36.251 ( -0.275 1.327 0.513) 1.449 36.280 ( 0.314 -1.136 -0.847) 1.451 37.726 ( -15.172 16.485 18.343) 28.955 38.128 ( -11.779 -19.336 7.957) 23.999 38.288 ( -9.635 7.699 -3.933) 12.945 38.553 ( -6.105 -14.920 -12.538) 20.423 ======================= Grid point 90 (54/54) ======================= q-point: (-0.14 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.644 ( -24.616 14.070 2.700) 28.481 1.690 ( -24.639 15.397 -0.244) 29.055 1.715 ( -11.667 18.009 2.498) 21.603 1.913 ( -18.699 2.544 -3.046) 19.116 2.000 ( -24.311 0.693 -3.038) 24.510 2.006 ( -24.306 -12.425 4.053) 27.597 2.055 ( -9.953 -3.142 4.322) 11.296 2.158 ( -14.437 -10.873 -0.634) 18.085 2.463 ( 3.475 13.585 7.117) 15.725 2.562 ( 2.413 3.905 4.062) 6.130 2.666 ( 1.048 11.961 3.241) 12.436 2.839 ( -0.885 -1.194 8.047) 8.183 2.941 ( -2.300 3.107 0.819) 3.952 2.990 ( 1.408 -4.008 -0.196) 4.252 3.019 ( 1.453 5.046 6.469) 8.332 3.038 ( 3.511 -8.942 -4.153) 10.466 3.205 ( -0.854 2.808 -0.026) 2.935 3.241 ( 0.050 -0.837 -5.182) 5.250 3.275 ( 3.363 1.782 0.336) 3.821 3.315 ( -0.440 -7.536 6.086) 9.696 3.430 ( -5.615 5.419 -0.602) 7.827 3.525 ( -0.603 -1.490 -0.169) 1.616 3.625 ( 1.069 -2.520 2.233) 3.533 3.706 ( 2.382 -5.448 1.143) 6.055 3.810 ( -2.282 6.532 -4.079) 8.032 3.918 ( -2.499 -3.648 5.230) 6.848 4.008 ( -0.892 9.073 -5.561) 10.679 4.154 ( -0.552 -2.720 -5.411) 6.082 4.271 ( 1.270 6.092 -2.038) 6.548 4.445 ( 2.552 1.956 -2.182) 3.886 4.478 ( 1.665 -2.529 -1.735) 3.490 4.529 ( 1.854 -5.169 -0.860) 5.558 4.650 ( 1.498 -1.764 -2.838) 3.662 4.755 ( 3.827 -6.626 -8.089) 11.135 4.866 ( 1.352 7.817 0.791) 7.972 4.952 ( -0.350 7.245 0.502) 7.271 5.076 ( -0.356 -0.469 -0.306) 0.664 5.131 ( 0.155 -7.632 3.970) 8.604 5.318 ( -0.861 -3.412 -0.659) 3.580 5.372 ( -4.041 -7.161 -1.049) 8.289 5.601 ( 0.659 3.706 1.811) 4.177 5.680 ( -1.114 -3.047 -2.025) 3.824 5.881 ( 1.187 5.689 1.238) 5.942 5.995 ( 2.291 -3.585 2.328) 4.850 6.727 ( 1.333 3.569 0.474) 3.839 6.786 ( -0.558 -1.642 -0.643) 1.850 7.088 ( -0.228 0.144 -2.299) 2.314 7.180 ( 0.259 -8.084 0.035) 8.088 7.537 ( 0.907 1.288 0.399) 1.625 7.555 ( 0.282 0.152 0.530) 0.619 7.700 ( -0.294 5.736 1.026) 5.835 7.770 ( -2.146 1.352 -1.293) 2.847 7.797 ( -2.175 -1.072 2.152) 3.242 7.835 ( -0.510 -2.414 -2.048) 3.207 8.074 ( -4.658 -6.619 -1.016) 8.157 8.204 ( -2.884 -14.623 1.595) 14.989 8.995 ( -0.821 9.267 0.084) 9.304 9.065 ( -2.963 8.871 0.394) 9.362 9.106 ( -4.024 2.721 0.278) 4.865 9.144 ( -1.855 0.122 -1.120) 2.171 9.257 ( -1.016 -5.583 0.653) 5.712 9.332 ( -0.893 -8.540 -0.932) 8.637 9.741 ( -0.401 4.625 -0.067) 4.643 9.783 ( -0.937 1.916 0.042) 2.133 9.978 ( 3.263 6.479 0.558) 7.276 10.014 ( -0.031 2.938 -1.547) 3.321 10.431 ( 3.417 -12.621 0.103) 13.076 10.459 ( 0.687 -14.281 -1.177) 14.346 11.123 ( 0.950 7.956 0.394) 8.022 11.191 ( 0.729 2.704 0.165) 2.805 11.328 ( 2.154 4.710 0.150) 5.182 11.358 ( 3.478 8.507 -0.026) 9.190 11.419 ( 2.775 -5.126 -0.658) 5.866 11.530 ( 1.028 -8.028 -0.003) 8.094 11.814 ( -0.938 -0.294 0.211) 1.005 11.847 ( -1.556 -2.557 0.357) 3.014 12.021 ( 1.100 10.785 -0.439) 10.849 12.092 ( 1.096 7.868 0.970) 8.003 12.207 ( 0.411 -5.578 -0.721) 5.639 12.225 ( 0.191 -4.232 1.320) 4.437 13.458 ( 2.340 22.595 2.480) 22.851 13.518 ( 1.324 16.755 1.619) 16.885 13.602 ( 0.324 13.215 -0.181) 13.221 13.623 ( 0.738 14.871 -0.927) 14.918 13.765 ( 4.769 11.838 0.417) 12.769 13.877 ( 3.902 2.623 0.641) 4.745 13.884 ( -2.161 0.099 -0.838) 2.320 13.996 ( -0.592 -9.119 -1.188) 9.215 14.090 ( 0.515 -0.366 -0.195) 0.661 14.135 ( -5.505 -8.262 -2.074) 10.143 14.223 ( 0.374 -7.426 2.336) 7.794 14.369 ( -3.031 -8.717 -4.953) 10.474 14.616 ( -4.524 -4.790 -1.242) 6.704 14.659 ( -9.788 -2.562 -1.156) 10.184 14.786 ( -4.110 -10.234 -3.842) 11.679 14.883 ( -10.748 -17.017 5.541) 20.875 15.444 ( 2.080 1.206 -0.109) 2.407 15.544 ( 1.203 -5.724 -0.699) 5.891 15.850 ( -4.781 17.460 1.687) 18.181 15.910 ( -4.795 17.222 -2.735) 18.085 16.216 ( -1.026 -7.369 0.290) 7.446 16.246 ( 0.116 -0.635 -0.156) 0.664 16.266 ( -1.539 -14.140 1.487) 14.301 16.360 ( -1.865 -15.268 -3.394) 15.752 17.153 ( 0.926 2.602 -0.209) 2.769 17.182 ( 1.290 0.150 0.413) 1.362 17.343 ( 1.648 0.274 0.304) 1.698 17.363 ( 1.168 -1.628 -0.655) 2.108 20.317 ( -1.684 0.871 -0.006) 1.896 20.343 ( -1.795 -1.771 0.471) 2.565 20.479 ( -1.224 4.505 0.641) 4.712 20.544 ( -1.332 -1.516 0.942) 2.228 21.394 ( 1.834 2.447 -0.719) 3.141 21.463 ( 1.960 -3.401 -0.865) 4.019 21.835 ( -2.052 -0.345 -0.089) 2.083 21.886 ( -1.769 -4.290 0.165) 4.644 23.166 ( 3.768 5.504 0.067) 6.671 23.230 ( 2.718 -0.906 0.207) 2.873 23.330 ( 8.010 3.404 -0.043) 8.703 23.358 ( 7.687 0.751 0.327) 7.730 27.348 ( 1.814 17.190 2.108) 17.414 27.492 ( 3.473 11.686 -3.595) 12.710 27.858 ( 2.297 -14.002 -0.603) 14.202 27.958 ( 4.494 -15.959 -1.357) 16.635 29.671 ( -3.997 20.545 -4.091) 21.326 29.871 ( -10.028 8.695 1.742) 13.386 30.265 ( -2.226 -5.188 -1.911) 5.960 30.363 ( -7.185 -6.919 6.914) 12.138 31.521 ( 5.477 14.405 4.199) 15.973 31.747 ( -0.657 4.188 -0.933) 4.341 31.816 ( -0.013 1.910 0.550) 1.988 31.847 ( 2.431 2.845 -0.316) 3.756 31.934 ( 9.386 -5.093 10.255) 14.806 32.035 ( 1.963 -6.790 4.435) 8.344 32.168 ( 8.963 6.370 -7.473) 13.295 32.457 ( 7.771 -14.261 -13.153) 20.899 33.197 ( 2.403 16.658 7.310) 18.349 33.269 ( 9.543 16.790 -10.352) 21.912 33.521 ( 1.072 -11.824 7.904) 14.263 33.627 ( 9.579 -13.584 -16.397) 23.349 34.137 ( 2.146 7.982 0.211) 8.269 34.214 ( 2.332 6.337 -0.761) 6.796 34.368 ( 2.797 -3.770 0.433) 4.714 34.503 ( 2.257 -10.539 -6.107) 12.388 35.586 ( -3.792 1.255 -1.743) 4.358 35.616 ( -5.312 -1.520 -1.564) 5.742 35.788 ( -1.360 1.649 0.125) 2.142 35.813 ( -1.326 -0.577 0.410) 1.503 35.967 ( 1.320 2.677 0.630) 3.050 36.016 ( 1.143 -1.636 1.025) 2.243 36.226 ( -2.216 0.926 0.958) 2.586 36.270 ( -1.361 -2.631 -1.253) 3.216 37.413 ( -14.087 19.595 25.650) 35.218 37.820 ( -14.982 -8.264 -1.863) 17.211 38.141 ( -5.052 -5.095 10.022) 12.326 38.433 ( -3.682 -21.204 -14.724) 26.076 =================== 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 3/27300 10.0 4.975 14.653 5.348 0.000 0.459 0.000 3/27300 20.0 7.641 11.576 4.228 0.000 -0.139 0.000 3/27300 30.0 6.454 7.984 3.332 0.000 -0.130 0.000 3/27300 40.0 5.107 5.816 2.662 0.000 -0.083 0.000 3/27300 50.0 4.118 4.521 2.189 0.000 -0.052 0.000 3/27300 60.0 3.416 3.698 1.847 0.000 -0.033 0.000 3/27300 70.0 2.906 3.145 1.593 0.000 -0.022 0.000 3/27300 80.0 2.523 2.759 1.398 0.000 -0.015 0.000 3/27300 90.0 2.229 2.481 1.245 0.000 -0.011 0.000 3/27300 100.0 1.995 2.278 1.121 0.000 -0.007 0.000 3/27300 110.0 1.807 2.124 1.020 0.000 -0.005 0.000 3/27300 120.0 1.652 2.006 0.936 0.000 -0.003 0.000 3/27300 130.0 1.523 1.912 0.864 0.000 -0.002 0.000 3/27300 140.0 1.413 1.834 0.803 0.000 -0.001 0.000 3/27300 150.0 1.319 1.769 0.751 0.000 0.000 0.000 3/27300 160.0 1.238 1.713 0.705 0.000 0.001 0.000 3/27300 170.0 1.167 1.663 0.665 0.000 0.001 0.000 3/27300 180.0 1.104 1.618 0.630 0.000 0.002 0.000 3/27300 190.0 1.049 1.577 0.599 0.000 0.002 0.000 3/27300 200.0 0.999 1.539 0.571 0.000 0.003 0.000 3/27300 210.0 0.955 1.503 0.546 0.000 0.003 0.000 3/27300 220.0 0.914 1.470 0.524 0.000 0.003 0.000 3/27300 230.0 0.878 1.439 0.504 0.000 0.003 0.000 3/27300 240.0 0.845 1.409 0.487 0.000 0.003 0.000 3/27300 250.0 0.815 1.381 0.471 0.000 0.004 0.000 3/27300 260.0 0.788 1.354 0.456 0.000 0.004 0.000 3/27300 270.0 0.763 1.329 0.443 0.000 0.004 0.000 3/27300 280.0 0.739 1.304 0.431 0.000 0.004 0.000 3/27300 290.0 0.718 1.281 0.420 0.000 0.004 0.000 3/27300 300.0 0.698 1.258 0.410 0.000 0.004 0.000 3/27300 310.0 0.679 1.237 0.400 0.000 0.004 0.000 3/27300 320.0 0.662 1.216 0.392 0.000 0.004 0.000 3/27300 330.0 0.646 1.196 0.384 0.000 0.004 0.000 3/27300 340.0 0.631 1.176 0.377 0.000 0.004 0.000 3/27300 350.0 0.617 1.158 0.370 0.000 0.004 0.000 3/27300 360.0 0.603 1.140 0.363 0.000 0.004 0.000 3/27300 370.0 0.590 1.122 0.357 0.000 0.004 0.000 3/27300 380.0 0.578 1.105 0.352 0.000 0.004 0.000 3/27300 390.0 0.567 1.088 0.346 0.000 0.004 0.000 3/27300 400.0 0.556 1.072 0.341 0.000 0.004 0.000 3/27300 410.0 0.546 1.057 0.336 0.000 0.004 0.000 3/27300 420.0 0.536 1.041 0.332 0.000 0.004 0.000 3/27300 430.0 0.526 1.027 0.327 0.000 0.004 0.000 3/27300 440.0 0.517 1.012 0.323 0.000 0.004 0.000 3/27300 450.0 0.508 0.998 0.319 0.000 0.004 0.000 3/27300 460.0 0.500 0.984 0.315 0.000 0.004 0.000 3/27300 470.0 0.492 0.971 0.311 0.000 0.004 0.000 3/27300 480.0 0.484 0.958 0.307 0.000 0.004 0.000 3/27300 490.0 0.477 0.945 0.304 0.000 0.004 0.000 3/27300 500.0 0.469 0.932 0.300 0.000 0.004 0.000 3/27300 510.0 0.462 0.920 0.297 0.000 0.004 0.000 3/27300 520.0 0.456 0.908 0.294 0.000 0.004 0.000 3/27300 530.0 0.449 0.897 0.290 0.000 0.004 0.000 3/27300 540.0 0.443 0.885 0.287 0.000 0.003 0.000 3/27300 550.0 0.436 0.874 0.284 0.000 0.003 0.000 3/27300 560.0 0.430 0.863 0.281 0.000 0.003 0.000 3/27300 570.0 0.424 0.852 0.278 0.000 0.003 0.000 3/27300 580.0 0.419 0.842 0.275 0.000 0.003 0.000 3/27300 590.0 0.413 0.832 0.272 0.000 0.003 0.000 3/27300 600.0 0.408 0.821 0.270 0.000 0.003 0.000 3/27300 610.0 0.403 0.812 0.267 0.000 0.003 0.000 3/27300 620.0 0.398 0.802 0.264 0.000 0.003 0.000 3/27300 630.0 0.393 0.793 0.261 0.000 0.003 0.000 3/27300 640.0 0.388 0.783 0.259 0.000 0.003 0.000 3/27300 650.0 0.383 0.774 0.256 0.000 0.003 0.000 3/27300 660.0 0.378 0.765 0.254 0.000 0.003 0.000 3/27300 670.0 0.374 0.757 0.251 0.000 0.003 0.000 3/27300 680.0 0.369 0.748 0.249 0.000 0.003 0.000 3/27300 690.0 0.365 0.740 0.246 0.000 0.003 0.000 3/27300 700.0 0.361 0.732 0.244 0.000 0.003 0.000 3/27300 710.0 0.357 0.724 0.242 0.000 0.003 0.000 3/27300 720.0 0.353 0.716 0.239 0.000 0.003 0.000 3/27300 730.0 0.349 0.708 0.237 0.000 0.003 0.000 3/27300 740.0 0.345 0.700 0.235 0.000 0.003 0.000 3/27300 750.0 0.341 0.693 0.233 0.000 0.003 0.000 3/27300 760.0 0.337 0.686 0.231 0.000 0.003 0.000 3/27300 770.0 0.334 0.678 0.229 0.000 0.003 0.000 3/27300 780.0 0.330 0.671 0.226 0.000 0.003 0.000 3/27300 790.0 0.327 0.665 0.224 0.000 0.003 0.000 3/27300 800.0 0.323 0.658 0.222 0.000 0.003 0.000 3/27300 810.0 0.320 0.651 0.220 0.000 0.003 0.000 3/27300 820.0 0.317 0.645 0.218 0.000 0.003 0.000 3/27300 830.0 0.313 0.638 0.217 0.000 0.003 0.000 3/27300 840.0 0.310 0.632 0.215 0.000 0.003 0.000 3/27300 850.0 0.307 0.626 0.213 0.000 0.003 0.000 3/27300 860.0 0.304 0.620 0.211 0.000 0.003 0.000 3/27300 870.0 0.301 0.614 0.209 0.000 0.003 0.000 3/27300 880.0 0.298 0.608 0.207 0.000 0.003 0.000 3/27300 890.0 0.295 0.602 0.206 0.000 0.003 0.000 3/27300 900.0 0.292 0.596 0.204 0.000 0.003 0.000 3/27300 910.0 0.290 0.591 0.202 0.000 0.003 0.000 3/27300 920.0 0.287 0.585 0.200 0.000 0.003 0.000 3/27300 930.0 0.284 0.580 0.199 0.000 0.003 0.000 3/27300 940.0 0.282 0.575 0.197 0.000 0.003 0.000 3/27300 950.0 0.279 0.569 0.195 0.000 0.002 0.000 3/27300 960.0 0.276 0.564 0.194 0.000 0.002 0.000 3/27300 970.0 0.274 0.559 0.192 0.000 0.002 0.000 3/27300 980.0 0.271 0.554 0.191 0.000 0.002 0.000 3/27300 990.0 0.269 0.549 0.189 0.000 0.002 0.000 3/27300 1000.0 0.267 0.545 0.188 0.000 0.002 0.000 3/27300 Thermal conductivity related properties were written into "kappa-m755.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 01:26:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|